data_2jz5_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 2jz5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 109.761 -0.459 . . . . 73.3 109.761 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.567 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 62.4 mt -78.05 -66.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.162 -0.681 . . . . 71.14 109.162 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.54 134.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 72.35 109.726 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -102.6 -163.79 1.03 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.756 -0.656 . . . . 72.42 109.853 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.54 163.88 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.889 0.376 . . . . 71.01 110.318 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.48 -168.91 32.94 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.506 -0.854 . . . . 51.41 111.985 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.47 -27.16 16.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.147 0.499 . . . . 71.42 109.918 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 17.41 11.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 71.52 110.804 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.2 t -105.51 125.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 71.43 110.417 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -134.35 125.57 27.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.525 0.202 . . . . 64.52 110.674 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 1.021 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 2.8 p30 -108.18 145.97 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.443 0.639 . . . . 71.33 111.896 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 134.86 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.993 -1.003 . . . . 73.34 109.096 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -110.82 110.64 21.34 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.547 -0.751 . . . . 74.43 109.831 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.67 144.95 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.441 -174.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -125.07 137.01 54.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.003 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.58 167.79 9.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.356 0.41 . . . . 62.12 110.594 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.75 -45.06 93.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.229 0.455 . . . . 75.34 112.229 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 p -124.3 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.096 0.474 . . . . 71.12 111.939 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.744 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 28.3 ttpp -65.16 -36.83 85.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.385 -0.825 . . . . 65.31 109.215 175.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.66 -46.71 67.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 75.34 111.294 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.06 88.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.474 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 24' ' ' LYS . 95.3 mt -57.27 -46.49 83.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.803 -0.635 . . . . 64.15 110.756 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.45 -37.75 88.48 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.064 -0.517 . . . . 63.21 111.434 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.1 m -62.2 -43.78 98.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.063 0.459 . . . . 74.4 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -43.81 62.37 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.937 -0.574 . . . . 65.4 110.789 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 61' ' ' ALA . 17.8 tp -57.47 -42.15 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 74.4 110.804 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.27 66.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 70.01 111.129 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 58.2 mmtt -76.07 -29.17 57.87 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.249 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.78 -41.66 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.961 -0.385 . . . . 75.02 109.961 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 31' ' ' LEU . 66.6 mt -61.65 -37.92 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.505 0.669 . . . . 73.33 109.975 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.05 -46.38 89.42 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.263 -0.88 . . . . 74.44 110.558 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD13 HD23 ' A' ' 81' ' ' LEU . 1.2 tt -63.26 -37.13 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.83 -0.623 . . . . 74.34 109.853 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.91 82.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 70.02 110.824 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.57 -24.2 67.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.184 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 -29.33 61.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 54.41 110.299 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.75 -45.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 63.21 110.466 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 t -147.08 109.16 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 75.13 110.292 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.78 -28.87 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.393 . . . . 64.44 110.849 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.13 24.35 13.85 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.939 -0.573 . . . . 52.13 112.527 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 63' ' ' PHE . 14.0 p -70.23 138.48 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.771 0.319 . . . . 65.31 110.539 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -114.32 133.7 55.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.965 -0.754 . . . . 71.43 108.965 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.1 p90 -140.78 149.04 41.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.111 0.481 . . . . 71.12 112.287 -174.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.567 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 14.5 m120 -124.11 167.21 14.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.253 -0.885 . . . . 75.53 109.109 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.44 153.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.203 -0.666 . . . . 73.52 109.203 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 m -62.97 174.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.766 0.317 . . . . 65.11 110.405 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -67.06 118.5 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.703 0.763 . . . . 74.43 110.254 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.744 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 94.8 mt -93.71 118.9 32.01 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.238 -0.892 . . . . 73.05 110.536 -175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -139.18 -170.58 2.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.727 -0.67 . . . . 71.15 109.937 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.74 -22.22 56.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.876 0.369 . . . . 74.13 110.083 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -103.2 12.59 35.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.668 0.618 . . . . 72.32 112.668 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -89.61 98.25 11.66 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.328 -0.549 . . . . 63.32 110.263 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 57' ' ' LYS . 3.7 mppt? -94.46 3.54 55.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.352 -0.981 . . . . 70.52 108.352 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -145.26 139.59 27.23 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.5 -1.227 . . . . 73.25 108.95 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 27' ' ' LEU . 1.9 pt? -145.37 148.62 33.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.044 0.45 . . . . 75.54 110.405 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -121.79 106.04 10.92 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.641 -0.709 . . . . 70.32 110.04 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' ' 31' ' ' LEU . . . -110.58 123.37 49.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.27 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 1.021 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -110.82 127.89 55.56 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.297 0.57 . . . . 75.41 111.951 -177.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.41 ' HB3' HG21 ' A' ' 45' ' ' VAL . 58.8 m-85 -102.98 119.54 39.03 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.56 -1.2 . . . . 73.43 109.061 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 137.93 38.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.33 -0.619 . . . . 64.33 109.33 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -109.88 -172.68 2.09 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.466 -0.788 . . . . 71.01 110.082 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.03 -37.79 21.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.077 0.465 . . . . 75.34 110.234 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.9 m -131.39 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.013 -0.539 . . . . 75.45 110.555 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.1 m -66.18 -20.16 66.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 74.21 111.332 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -65.31 -39.21 92.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 64.54 110.55 177.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 62.1 mt-10 -65.75 -33.81 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 74.43 110.633 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 26.0 ttpp -59.22 -56.05 27.13 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.769 -0.65 . . . . 74.11 109.539 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -54.04 -45.19 71.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.402 -1.272 . . . . 73.02 111.336 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 69' ' ' ALA . 89.3 mt -59.32 -45.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 71.3 110.813 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.49 -42.14 98.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 75.25 110.374 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 46.2 mt-10 -64.05 -40.69 96.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.694 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -44.55 89.2 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.504 -0.316 . . . . 65.34 111.506 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.37 -40.0 81.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.604 -0.271 . . . . 61.12 111.625 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 10.7 p -65.5 -21.84 66.66 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 121.046 -0.262 . . . . 61.12 111.565 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 29.4 mmt180 -60.52 -43.89 96.64 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.742 0.306 . . . . 72.25 111.382 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -80.86 -13.36 59.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.897 0.38 . . . . 73.4 111.731 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 37' ' ' LEU . 11.7 tp . . . . . 0 N--CA 1.446 -0.64 0 CA-C-N 116.282 -0.417 . . . . 74.43 111.049 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.45 ' HZ ' ' HG ' ' A' ' 50' ' ' SER . 65.9 m-85 . . . . . 0 C--O 1.236 0.389 0 N-CA-C 109.185 -0.672 . . . . 74.4 109.185 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.407 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 39.4 mm -79.38 -58.3 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.849 0.356 . . . . 71.13 110.704 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.62 137.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.33 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.43 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 24.8 pttt -106.22 -169.7 1.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 64.33 110.67 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -67.82 163.34 22.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.471 -0.331 . . . . 73.2 111.3 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.74 172.26 39.62 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.441 -0.664 . . . . 75.12 111.441 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -76.86 -27.89 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 43.41 111.214 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.12 4.14 46.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.024 -0.535 . . . . 63.12 110.59 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.38 120.46 58.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.991 -0.549 . . . . 60.31 110.455 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.815 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -113.75 104.59 12.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.179 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.984 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 4.8 p-10 -96.19 128.78 43.41 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 121.511 0.672 . . . . 74.04 110.159 174.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.05 133.47 60.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 114.727 -1.124 . . . . 63.12 109.511 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.6 m -97.91 113.48 25.32 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.465 -0.939 . . . . 65.35 108.465 174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 20.0 mt -96.11 136.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.348 -0.612 . . . . 74.41 109.348 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.05 127.57 55.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.57 -0.741 . . . . 74.44 109.94 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.83 179.45 6.23 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.529 -0.759 . . . . 51.23 109.817 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -74.19 -42.42 59.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.873 0.368 . . . . 72.21 110.519 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.3 p -137.25 171.18 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.389 -0.369 . . . . 71.14 111.535 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.597 ' HG2' HD11 ' A' ' 52' ' ' LEU . 2.2 tmpt? -57.32 -42.04 81.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.516 -0.766 . . . . 74.54 110.292 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.12 -46.94 81.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 75.14 111.323 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.42 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 64.44 110.171 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.517 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.3 tp -59.03 -46.94 86.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.69 -0.686 . . . . 73.4 110.269 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.27 -41.66 89.39 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.76 -0.655 . . . . 74.2 111.613 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.6 t -59.51 -52.3 66.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.119 0.485 . . . . 63.2 110.45 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.45 -41.61 98.64 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.583 -0.735 . . . . 73.21 111.108 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 35' ' ' ILE . 24.9 tp -59.03 -48.52 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.08 -38.3 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.742 . . . . 53.4 111.265 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 29' ' ' SER . 94.5 mttt -64.7 -41.97 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 70.12 111.073 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -71.03 -34.27 71.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.454 . . . . 71.11 110.746 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -64.62 -41.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.132 0.492 . . . . 55.52 110.095 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.02 -42.78 94.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.84 -0.618 . . . . 64.14 110.616 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.7 -38.57 85.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 71.31 109.996 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.14 89.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.836 -0.62 . . . . 52.31 110.863 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.6 -21.98 65.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 41.53 111.283 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -76.71 -19.92 57.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.393 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.72 -50.23 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.998 0.427 . . . . 72.24 110.737 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.49 ' CB ' ' HD1' ' A' ' 65' ' ' PHE . 52.1 t -131.04 121.04 24.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.832 -0.622 . . . . 63.4 110.203 -173.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.9 -39.93 41.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 54.42 110.924 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.78 34.22 4.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.102 -0.57 . . . . 75.53 112.6 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.11 126.68 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.436 0.636 . . . . 74.14 111.145 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.35 127.04 54.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.957 -0.757 . . . . 74.3 108.957 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 38.1 p90 -137.78 153.77 49.64 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.346 -0.542 . . . . 73.14 112.208 -170.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 13.2 m120 -124.78 167.18 14.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.01 -0.995 . . . . 70.22 108.581 170.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 60' ' ' THR . 8.3 p -161.77 145.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.277 -0.42 . . . . 64.1 110.502 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.45 ' HG ' ' HZ ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -61.45 152.99 28.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.566 -0.531 . . . . 73.32 109.566 174.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.0 124.89 29.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.43 0.634 . . . . 64.11 109.67 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.597 HD11 ' HG2' ' A' ' 24' ' ' LYS . 2.3 pt? -93.45 115.31 27.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.4 -0.818 . . . . 74.14 110.174 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.82 -172.29 2.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 75.33 109.436 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.02 -36.05 74.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.024 0.44 . . . . 73.25 111.563 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.28 2.49 55.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 71.42 112.153 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 m -91.87 102.82 15.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.06 0.457 . . . . 74.31 111.064 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 10.52 40.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.482 0.658 . . . . 73.12 109.652 173.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -147.73 154.34 40.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.9 -1.045 . . . . 72.42 109.463 174.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt? -154.41 148.54 25.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.157 -0.312 . . . . 73.43 110.157 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 62.8 m -106.05 110.74 23.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.765 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.59 126.47 54.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.605 . . . . 55.13 110.33 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.984 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -116.48 118.66 33.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.163 0.506 . . . . 75.35 111.333 177.244 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 36.0 m-85 -97.68 119.3 36.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.021 -0.99 . . . . 72.34 109.388 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -92.22 114.97 27.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.389 -0.597 . . . . 71.44 109.389 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.49 ' HD1' ' CB ' ' A' ' 42' ' ' CYS . 63.1 m-85 -90.33 179.49 5.87 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.663 -0.699 . . . . 72.22 109.929 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.5 -58.95 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.48 0.657 . . . . 61.43 109.912 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.41 -174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.217 -0.901 . . . . 73.11 110.073 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 m -65.77 -30.71 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.411 . . . . 53.44 111.093 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.07 78.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.531 -0.759 . . . . 64.54 111.424 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 4.7 mm-40 -61.83 -37.56 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 74.54 110.156 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.815 ' HD3' ' HB1' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -62.98 -49.3 75.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 74.45 110.224 -178.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.3 mt -62.05 -44.82 95.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 75.55 111.281 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.99 -42.23 88.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.936 0.398 . . . . 70.51 110.962 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.24 -47.69 84.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 74.34 110.319 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 30.8 mt-10 -62.62 -38.33 89.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 72.45 111.236 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 80.4 mt -59.44 -43.39 93.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.997 0.427 . . . . 70.2 110.869 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.47 -42.94 77.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 70.42 111.015 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 32.6 p -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.023 -0.271 . . . . 71.13 111.619 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -58.81 -43.83 90.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.068 0.461 . . . . 71.01 111.098 176.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.5 m -78.76 -17.3 56.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.893 -0.594 . . . . 73.01 111.453 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.446 -0.671 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.413 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.943 0.401 . . . . 72.55 111.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.62 -47.2 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.15 -0.685 . . . . 75.04 109.15 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 69.0 mt -94.98 128.09 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 74.34 109.49 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -106.26 -173.47 2.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 63.54 110.619 -175.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.47 167.72 12.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 64.21 110.96 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.03 -172.92 45.16 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.427 -0.892 . . . . 74.31 112.271 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.501 ' CG ' ' HG ' ' A' ' 68' ' ' SER . 6.5 t70 -81.13 -27.94 35.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.506 0.67 . . . . 73.33 110.013 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 15.15 24.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 54.12 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.416 HG22 ' HG3' ' A' ' 64' ' ' LYS . 21.5 t -118.74 140.55 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.7 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.83 139.69 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 74.21 111.019 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -97.27 139.44 33.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.082 0.468 . . . . 73.12 110.761 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.95 135.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 75.04 108.903 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 m -134.3 119.62 18.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.826 0.346 . . . . 64.13 110.503 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 3.4 mp -106.03 143.18 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.708 -0.479 . . . . 62.11 109.708 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 23.3 p90 -135.16 143.13 46.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.189 -0.459 . . . . 63.53 110.436 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.25 178.59 6.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.911 -0.586 . . . . 63.42 110.02 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 5.6 mm-40 -81.87 -36.09 28.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.0 0.37 . . . . 70.23 112.0 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.3 p -109.36 142.26 40.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 75.34 111.155 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.55 -36.29 73.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.151 0.501 . . . . 74.25 109.773 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.92 -44.17 78.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.218 -0.901 . . . . 72.43 111.143 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.9 97.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.719 0.295 . . . . 74.31 110.639 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.2 mp -56.26 -55.08 37.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.778 -0.646 . . . . 44.32 110.177 173.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.87 -39.49 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.451 -0.795 . . . . 71.22 111.756 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 42.4 m -66.36 -47.52 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.726 0.298 . . . . 74.52 111.41 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 71.44 110.179 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.553 ' HG ' HD13 ' A' ' 59' ' ' LEU . 2.3 tm? -59.54 -45.48 91.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 74.54 110.064 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.91 73.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.331 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 29' ' ' SER . 92.7 mttt -61.26 -44.83 96.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.101 0.477 . . . . 74.5 110.566 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -69.07 -36.85 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 74.01 111.13 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.7 mt -66.62 -39.97 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.452 . . . . 73.21 110.125 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.12 -40.31 95.91 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.964 -0.562 . . . . 73.32 111.026 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -38.16 86.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.981 -0.554 . . . . 70.42 109.543 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.3 91.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 65.22 111.068 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.45 -0.341 . . . . 74.21 111.113 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -73.78 -33.71 64.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.963 0.411 . . . . 71.21 110.13 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.56 -39.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.51 . . . . 74.04 110.952 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 49.0 t -130.46 126.19 36.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.058 0.456 . . . . 65.15 110.355 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.66 22.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.663 -0.698 . . . . 73.03 110.974 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.94 52.18 0.67 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.776 -0.726 . . . . 75.43 112.698 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.2 p -73.66 125.78 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.142 0.496 . . . . 53.34 110.642 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.39 119.2 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.402 -0.592 . . . . 74.04 109.402 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 14.9 p90 -130.79 142.22 50.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.44 0.638 . . . . 64.44 112.238 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.84 167.2 10.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.234 -0.894 . . . . 65.54 109.196 171.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.53 147.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.86 -0.609 . . . . 73.4 109.364 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -70.4 167.33 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.805 -0.443 . . . . 70.45 109.805 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.52 129.64 34.96 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.109 0.48 . . . . 64.3 110.455 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 59' ' ' LEU . 87.2 mt -83.6 123.54 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 71.02 110.453 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 p -121.13 -177.79 3.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.748 -0.66 . . . . 73.42 110.264 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.22 -36.21 69.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.122 0.487 . . . . 73.22 111.162 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.13 -7.97 31.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 54.22 112.71 -171.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 116.78 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.358 0.599 . . . . 71.21 112.441 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 5.5 mptp? -88.5 -22.22 23.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 64.41 110.302 173.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -131.97 158.73 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 73.52 111.253 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD13 ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt? -146.78 140.47 25.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 74.42 109.848 173.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.0 m -104.08 118.67 37.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.09 -0.504 . . . . 65.12 110.769 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.54 122.99 49.1 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.698 -0.683 . . . . 63.12 109.299 176.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 42.8 ttm180 -108.11 116.38 31.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.11 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.5 113.4 26.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 75.44 111.141 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' HG22 ' A' ' 14' ' ' VAL . 33.1 tttm -97.37 120.99 38.74 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 71.01 109.377 171.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 77.0 m-85 -93.75 -176.76 4.15 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.695 -0.483 . . . . 74.12 109.695 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -93.71 -36.16 12.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.028 0.442 . . . . 74.32 110.154 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -127.24 150.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 74.12 109.16 172.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.501 ' HG ' ' CG ' ' A' ' 12' ' ' ASP . 5.1 m -71.62 -12.29 61.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.057 0.456 . . . . 71.04 111.133 -175.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 37.04 110.019 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CD ' ' HG ' ' A' ' 42' ' ' CYS . 61.1 mt-10 -59.21 -35.47 73.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 75.42 110.152 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 24.0 ttpp -59.04 -57.65 12.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.392 -0.822 . . . . 72.54 110.007 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.76 -45.21 74.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.753 -1.112 . . . . 70.24 111.309 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.1 mt -59.15 -45.35 92.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.757 0.313 . . . . 74.1 110.969 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.2 -43.87 90.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.468 . . . . 63.24 110.556 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 44.8 mt-10 -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 72.31 110.748 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.42 -43.3 97.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.29 -0.414 . . . . 63.32 111.787 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -72.92 -36.83 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.553 -0.294 . . . . 74.32 111.694 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.8 p -70.24 -35.22 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.764 -0.198 . . . . 74.04 111.22 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 92.4 mtt180 -56.22 -44.5 79.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.965 0.412 . . . . 61.34 111.38 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -80.7 -19.31 45.41 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.038 -0.528 . . . . 72.11 112.235 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.025 0.44 . . . . 73.05 111.249 -176.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.052 -0.351 . . . . 74.42 110.052 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.75 -53.26 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 72.13 109.431 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.7 mt -89.42 126.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 75.13 109.741 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -96.0 -177.83 4.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.08 -0.509 . . . . 65.03 110.726 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.75 168.18 9.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.405 0.622 . . . . 72.2 112.205 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.35 177.86 40.25 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.304 -0.862 . . . . 53.32 111.343 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.93 -17.44 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.766 0.317 . . . . 50.45 111.758 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -101.65 3.33 39.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.122 0.487 . . . . 74.32 109.894 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.36 136.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 73.34 111.318 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -131.53 109.98 10.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 72.24 109.735 174.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.92 134.98 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.231 0.538 . . . . 73.22 110.606 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.2 p -141.04 153.38 20.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.504 -0.771 . . . . 50.23 111.165 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.0 m -134.19 127.05 31.18 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.564 -0.744 . . . . 65.42 109.752 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 27.2 mt -98.59 142.51 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.635 -0.506 . . . . 73.12 109.635 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -126.63 140.03 52.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.754 0.311 . . . . 63.42 110.648 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -173.78 157.03 2.98 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.964 -0.754 . . . . 54.15 108.964 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 70.9 mm-40 -74.2 -23.22 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.171 0.434 . . . . 73.45 112.171 -174.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -114.6 139.92 49.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.508 -0.477 . . . . 70.14 111.014 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' THR . 26.4 ttpp -62.35 -34.65 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.421 0.629 . . . . 72.41 109.711 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.73 -38.21 81.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.197 -0.91 . . . . 55.24 110.599 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.38 83.55 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.077 -0.342 . . . . 72.55 110.077 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 21' ' ' ALA . 9.9 mp -55.72 -55.72 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.664 . . . . 72.43 110.112 173.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -41.18 98.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.499 -0.773 . . . . 74.42 111.955 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -65.63 -43.45 89.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.587 0.232 . . . . 65.34 111.589 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 17.3 tt0 -76.32 -34.38 59.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.836 0.35 . . . . 74.43 110.163 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.3 tp -52.57 -47.97 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.852 -0.613 . . . . 74.3 110.524 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.95 -35.91 64.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.24 -0.891 . . . . 52.31 111.31 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.34 -44.16 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.209 0.528 . . . . 74.15 110.341 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.1 m-85 -65.89 -37.88 87.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.492 -0.777 . . . . 75.21 110.727 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 31' ' ' LEU . 75.1 mt -63.27 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 73.1 110.549 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.85 -44.68 92.41 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.117 0.484 . . . . 72.42 110.098 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 41' ' ' VAL . 94.5 mt -63.16 -32.87 74.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.91 -0.587 . . . . 73.33 111.033 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 53.31 110.483 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -70.76 -25.36 62.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 75.2 110.912 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 t -66.57 -41.55 88.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 74.55 109.768 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 37' ' ' LEU . 66.0 t -79.26 -52.97 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 61.12 110.697 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.4 t -128.45 118.95 23.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.182 0.515 . . . . 71.33 110.693 -175.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.04 79.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 53.33 111.115 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.75 33.04 6.71 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.479 -0.867 . . . . 65.13 112.567 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.55 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -62.82 127.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.191 0.519 . . . . 74.0 111.258 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.42 135.5 38.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.61 -0.723 . . . . 62.54 109.225 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.686 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 8.5 p90 -143.82 139.57 29.39 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.56 0.695 . . . . 75.25 112.862 -176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 14.6 m120 -112.46 167.8 10.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.865 -1.161 . . . . 70.5 107.865 170.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -156.63 152.24 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 110.227 -0.286 . . . . 74.34 110.227 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -66.98 165.36 15.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.941 0.401 . . . . 75.53 110.304 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.32 129.4 34.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.132 -0.485 . . . . 72.33 109.84 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.97 125.6 29.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.75 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.498 ' O ' ' HD3' ' A' ' 24' ' ' LYS . 24.8 p -116.8 -179.11 3.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.362 -0.607 . . . . 74.24 109.362 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -76.1 -30.29 58.2 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.883 -0.327 . . . . 65.52 111.784 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.6 25.5 11.73 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.876 0.324 . . . . 73.03 111.876 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -65.68 120.58 13.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 73.43 111.714 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 2.7 mptm? -107.01 -1.95 21.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.155 0.502 . . . . 73.25 109.995 169.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -149.24 154.79 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.727 -0.67 . . . . 73.22 110.611 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD21 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -152.12 140.38 20.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.847 -0.615 . . . . 73.21 109.369 170.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 m -105.57 128.48 53.63 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.884 -0.598 . . . . 74.12 110.114 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 117.85 31.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.933 -0.576 . . . . 63.13 110.14 -178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.686 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 17.7 tpp85 -95.89 114.16 25.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.478 -0.783 . . . . 75.44 109.623 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.65 124.77 53.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.725 0.297 . . . . 72.02 111.305 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -115.79 123.87 49.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.241 -0.652 . . . . 73.54 109.241 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -90.93 -176.03 4.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.766 -0.652 . . . . 74.42 110.281 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -93.19 -28.11 16.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 121.152 0.501 . . . . 75.23 110.083 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -134.49 160.13 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.705 -0.679 . . . . 54.35 110.001 171.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.86 -23.78 64.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.008 0.432 . . . . 73.05 111.721 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.65 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.098 -0.501 . . . . 71.12 111.43 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 71.3 mt-10 -68.44 -29.24 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.409 -0.36 . . . . 63.33 110.777 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 61.8 tttp -56.25 -60.33 3.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.677 0.751 . . . . 74.25 109.709 173.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -51.94 -48.0 64.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.812 -1.54 . . . . 73.12 111.68 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.88 -45.64 94.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.801 0.334 . . . . 72.34 111.148 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.62 -42.81 86.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.345 -0.389 . . . . 65.42 110.466 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -64.2 -36.82 85.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.469 . . . . 51.11 110.994 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.68 -39.56 93.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.3 -0.409 . . . . 63.01 111.428 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -79.36 -32.74 43.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.769 0.285 . . . . 72.34 111.769 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 p -74.1 -29.35 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.0 -0.28 . . . . 70.14 111.573 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -55.32 -42.92 74.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.946 0.403 . . . . 63.24 111.841 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -65.45 -30.63 71.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.284 -0.416 . . . . 72.04 111.758 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.355 0.598 . . . . 73.15 109.631 179.136 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.895 -0.78 . . . . 73.53 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mm -83.62 -33.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.589 0.709 . . . . 74.22 110.122 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 89.0 mt -94.83 124.91 47.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.349 -0.841 . . . . 71.43 111.433 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.544 ' HB2' ' HZ1' ' A' ' 9' ' ' LYS . 9.5 mtmp? -104.06 -168.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.5 -0.773 . . . . 75.21 110.347 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.82 163.68 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.442 0.534 . . . . 72.24 112.442 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.61 -176.5 39.71 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.182 -0.767 . . . . 54.45 111.182 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.95 -30.44 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.654 0.74 . . . . 65.53 109.781 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -81.42 -5.02 57.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.961 -1.018 . . . . 72.25 109.941 177.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.66 138.05 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 73.41 111.098 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.882 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.92 113.4 7.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.74 -0.664 . . . . 70.34 109.692 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.543 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 4.5 p-10 -106.3 142.56 35.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.082 0.468 . . . . 72.12 110.893 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 t -124.7 132.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.557 -0.747 . . . . 63.52 109.697 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -104.88 110.7 23.17 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.289 -0.869 . . . . 71.25 110.042 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 12.4 mt -99.77 136.77 29.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.25 -0.432 . . . . 55.54 110.151 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -151.35 142.29 22.99 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.867 -0.606 . . . . 75.14 110.061 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.97 -166.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.163 -0.471 . . . . 53.33 110.226 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.81 -30.65 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 74.24 110.985 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -135.27 154.47 51.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 63.3 111.085 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' CB ' ' HZ2' ' A' ' 24' ' ' LYS . 2.3 ttmp? -59.21 -34.2 71.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.823 -0.626 . . . . 70.12 110.854 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.37 -42.86 74.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 74.45 111.349 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.03 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 44.44 110.219 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD22 HD22 ' A' ' 59' ' ' LEU . 11.2 mp -58.36 -49.09 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.634 . . . . 74.34 110.507 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 49.0 mt-10 -60.24 -42.17 94.69 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.916 -0.584 . . . . 54.11 111.165 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.1 m -62.47 -52.28 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 54.23 110.969 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.77 -40.83 97.66 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.167 -0.47 . . . . 64.41 111.052 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.9 tp -57.79 -51.22 70.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.04 -0.527 . . . . 71.21 110.307 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.5 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.489 -0.778 . . . . 74.14 111.166 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.86 -41.03 97.88 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.29 -0.414 . . . . 72.01 111.134 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.01 -40.38 75.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.406 -0.361 . . . . 72.14 111.079 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 73.24 110.428 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.16 -46.75 89.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.308 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.05 -35.67 75.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 73.13 110.062 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.33 86.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.551 . . . . 64.22 110.712 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -69.47 -26.62 64.66 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.11 0.481 . . . . 71.22 110.5 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 t -69.06 -36.26 77.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 73.23 110.226 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -88.64 -42.22 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.4 111.387 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.7 t -130.49 135.22 47.73 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.293 0.568 . . . . 71.41 110.289 -174.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.87 -44.17 20.95 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.466 -0.788 . . . . 72.43 111.093 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.56 60.03 0.35 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.997 -0.62 . . . . 60.34 111.947 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.06 131.97 37.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.842 0.353 . . . . 64.22 111.114 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.73 140.45 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.262 -0.644 . . . . 65.11 109.262 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.501 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 45.6 p90 -144.47 151.65 39.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.303 0.573 . . . . 72.35 111.388 177.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -120.96 161.63 21.28 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 75.32 109.437 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG11 HD13 ' A' ' 59' ' ' LEU . 60.4 t -141.02 149.81 20.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.362 -0.835 . . . . 73.04 108.962 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 46.0 m -70.58 179.58 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 74.42 110.887 177.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.72 117.6 16.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 73.33 110.918 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.92 113.7 20.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 64.43 110.457 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 p -139.4 172.21 13.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.515 -0.766 . . . . 53.25 109.311 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -43.21 82.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 71.55 110.915 -178.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -106.48 46.45 0.92 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.152 0.426 . . . . 73.55 112.152 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -84.78 95.51 8.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.187 -1.042 . . . . 62.34 108.187 165.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.678 ' HB2' ' HZ2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -82.81 -2.88 55.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.5 . . . . 72.34 109.873 -177.316 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 156.51 18.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.493 -0.776 . . . . 63.04 110.044 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD22 HD22 ' A' ' 27' ' ' LEU . 2.5 pt? -152.2 148.99 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.045 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.6 m -113.21 115.2 27.85 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.166 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.39 113.42 26.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.001 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 24.3 mtp180 -98.7 116.41 30.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.243 -0.435 . . . . 75.45 109.952 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -103.15 126.62 50.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.153 0.283 . . . . 75.23 110.333 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -119.9 115.12 23.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.449 -0.574 . . . . 51.41 109.449 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -86.32 -173.65 4.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.655 -0.702 . . . . 65.41 110.572 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -81.22 -39.1 25.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.132 0.491 . . . . 65.02 110.036 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.44 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -135.07 161.65 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.7 -0.682 . . . . 61.41 110.453 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.7 m -65.65 -27.49 68.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.245 -0.434 . . . . 62.12 111.406 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.77 84.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 73.51 110.93 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 66.0 mt-10 -67.29 -35.06 78.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.606 . . . . 75.3 110.271 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.882 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.2 tmmm? -62.59 -51.26 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.502 -0.772 . . . . 70.22 109.665 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.8 mt -53.52 -47.07 70.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.971 . . . . 74.33 111.468 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.06 -44.13 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 64.31 111.018 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 74.23 110.549 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 6.9 mm-40 -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 74.12 110.674 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -39.38 91.35 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.213 -0.449 . . . . 75.15 111.788 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.46 -39.18 67.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.439 -0.346 . . . . 74.15 111.305 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 12.6 p -72.45 -21.3 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.922 0.342 . . . . 75.22 111.922 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 2.3 mmp_? -55.44 -50.59 69.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.839 0.352 . . . . 71.25 111.647 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -87.25 -12.17 47.5 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.389 -0.369 . . . . 73.24 111.652 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 15.8 tp . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.17 0.51 . . . . 55.51 109.731 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.944 0.402 . . . . 74.44 110.261 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.24 -46.81 9.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 107.612 -1.255 . . . . 71.2 107.612 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.2 mt -106.36 131.94 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.408 -1.269 . . . . 64.52 109.082 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -94.39 -177.49 4.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.38 -0.373 . . . . 72.35 110.494 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -59.09 163.49 3.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.329 0.585 . . . . 64.34 111.473 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.11 -177.03 47.79 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.02 -1.232 . . . . 73.5 110.02 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -30.36 66.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 117.141 0.47 . . . . 73.14 111.654 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 -0.32 23.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.249 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -103.92 121.53 55.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.003 -0.279 . . . . 62.54 110.998 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -115.05 111.97 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.621 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 19.7 t70 -88.83 136.42 33.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 74.15 110.381 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 145.79 35.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.886 -1.052 . . . . 73.23 109.695 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -130.42 110.39 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.114 0.483 . . . . 72.44 110.314 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 17.2 mt -100.62 141.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.847 -0.615 . . . . 72.2 110.0 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -142.55 151.94 42.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.375 -0.375 . . . . 62.34 110.493 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.03 -172.2 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 73.25 110.255 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -72.13 -35.83 69.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.133 0.419 . . . . 73.21 112.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -143.66 162.4 36.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 74.22 111.744 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.71 -36.67 74.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 75.41 110.552 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -51.12 -44.02 61.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.235 -0.893 . . . . 74.13 111.137 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.92 -44.19 73.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 73.25 110.462 178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD22 HD23 ' A' ' 59' ' ' LEU . 10.8 mp -53.78 -49.29 68.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.563 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.83 -36.16 71.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.339 -0.846 . . . . 73.44 111.504 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -76.7 -47.88 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 74.43 111.111 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 4.9 mm-40 -65.41 -39.69 92.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.268 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.6 tp -55.87 -44.38 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.157 0.504 . . . . 75.14 110.418 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.27 70.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.24 -0.891 . . . . 70.43 111.118 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -66.79 -40.26 88.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.65 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -68.28 -40.55 81.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 75.21 111.183 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.36 -38.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.249 0.547 . . . . 72.03 109.889 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.42 -43.74 96.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.538 -0.756 . . . . 72.25 111.364 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD12 HD23 ' A' ' 81' ' ' LEU . 75.4 mt -66.4 -34.17 77.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.437 . . . . 72.24 110.52 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 73.14 110.442 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.88 -32.31 71.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.921 -0.581 . . . . 74.15 110.894 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.3 t -65.93 -33.07 74.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.957 -0.565 . . . . 72.02 110.212 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -88.37 -49.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.006 -0.543 . . . . 75.11 111.27 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 38.0 t -128.79 129.68 45.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.327 0.584 . . . . 65.53 110.838 -172.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.72 -31.1 46.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.5 -0.773 . . . . 63.2 110.591 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.15 39.55 2.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.85 -0.69 . . . . 44.34 112.112 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.2 p -75.32 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 71.34 110.588 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -132.21 129.8 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.303 -0.629 . . . . 73.21 109.303 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -131.11 156.59 44.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 64.12 112.761 -170.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.7 167.32 11.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.701 -1.136 . . . . 74.35 108.667 171.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.75 148.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.189 -0.46 . . . . 74.45 109.995 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.8 m -70.22 173.21 6.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.851 0.358 . . . . 74.22 110.508 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.58 137.47 42.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.964 0.412 . . . . 73.23 110.695 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.23 120.76 39.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 71.51 111.383 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -124.54 178.38 5.45 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 74.52 109.089 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.42 -11.91 59.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.062 0.458 . . . . 71.1 110.665 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -83.41 -14.03 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.748 -0.66 . . . . 63.24 110.498 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -72.44 122.35 21.1 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.947 -0.569 . . . . 64.14 111.048 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -121.61 7.5 10.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.645 -1.243 . . . . 74.43 107.645 175.186 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.582 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.79 140.59 16.1 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 113.639 -1.619 . . . . 71.13 109.245 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -143.97 153.28 42.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.959 0.409 . . . . 72.0 110.3 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.56 HG23 HH21 ' A' ' 62' ' ' ARG . 4.3 m -120.08 127.58 52.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.925 -0.58 . . . . 72.11 110.351 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.68 137.27 36.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 64.34 110.376 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.56 HH21 HG23 ' A' ' 60' ' ' THR . 0.0 OUTLIER -117.77 130.09 56.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.789 0.328 . . . . 65.42 110.657 -178.04 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -103.12 117.35 34.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.269 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.55 115.66 28.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 75.01 109.844 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -96.55 -164.67 1.18 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.677 -0.692 . . . . 72.13 109.43 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -95.76 -45.32 7.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.843 0.354 . . . . 72.54 110.984 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.15 164.29 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.583 -0.28 . . . . 74.43 111.624 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -65.53 -29.63 70.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.101 -0.5 . . . . 55.45 111.456 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.74 -35.04 78.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.602 -0.726 . . . . 75.14 111.524 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.36 -32.0 72.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 74.1 110.82 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 38.2 ttmt -58.4 -56.98 15.17 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.861 0.839 . . . . 62.5 109.51 172.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.29 -50.94 61.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.625 -1.625 . . . . 71.41 111.647 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.8 mt -57.88 -45.1 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.783 0.325 . . . . 74.12 111.131 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.52 -49.7 72.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.289 -0.414 . . . . 71.13 110.737 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 7.4 mm-40 -67.32 -28.35 67.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 62.1 112.239 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 76' ' ' LEU . 19.2 mt -65.25 -37.37 87.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.137 0.494 . . . . 63.13 110.179 174.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.52 -35.5 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 72.03 111.382 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.0 p -67.93 -29.56 68.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.895 0.379 . . . . 65.14 110.499 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 9.1 mmm180 -61.09 -47.34 86.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.28 -0.418 . . . . 73.41 111.328 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -81.26 -15.41 55.63 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.201 0.445 . . . . 75.42 112.201 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 37' ' ' LEU . 12.7 tp . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 121.003 0.43 . . . . 64.41 110.638 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 73.7 m-85 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.088 -0.338 . . . . 72.55 110.088 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.32 -56.17 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.595 -0.521 . . . . 74.44 109.595 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 64' ' ' LYS . 67.2 mt -69.73 121.6 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 74.41 110.736 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -94.86 -173.83 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.639 -0.709 . . . . 61.01 110.509 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.1 164.34 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.357 0.599 . . . . 75.22 112.61 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.26 173.19 39.42 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.208 -1.157 . . . . 60.31 110.208 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.94 -18.91 45.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 117.396 0.598 . . . . 74.53 110.707 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.51 8.18 42.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.589 . . . . 71.52 110.567 175.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.65 120.79 61.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 74.33 110.774 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.518 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -125.84 120.55 30.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.191 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.878 ' HB3' ' HG3' ' A' ' 62' ' ' ARG . 9.3 p-10 -99.58 143.17 30.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.328 0.585 . . . . 73.44 110.868 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.12 130.64 71.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.303 -0.862 . . . . 63.11 109.737 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.5 m -113.18 116.12 29.32 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.545 -0.752 . . . . 72.15 109.678 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.7 mt -98.09 140.78 17.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.431 . . . . 74.25 109.878 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 23.8 m-85 -123.08 133.6 54.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.927 -0.579 . . . . 74.42 109.457 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -159.84 -176.81 5.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.723 0.297 . . . . 72.12 111.02 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.38 -25.55 20.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.989 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -130.5 154.27 47.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.092 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 31.8 ttpt -65.18 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.448 -0.575 . . . . 73.42 109.448 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.46 -44.68 80.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.336 -0.847 . . . . 63.33 110.658 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.77 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 64.02 110.639 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HG ' HD23 ' A' ' 59' ' ' LEU . 9.3 mp -57.58 -53.14 61.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.085 -0.507 . . . . 54.32 110.393 174.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.4 -39.26 90.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.652 -0.703 . . . . 74.21 111.403 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m -67.09 -51.2 57.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.401 -0.363 . . . . 71.45 111.089 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -60.77 -40.91 94.28 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.984 0.421 . . . . 74.13 110.762 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 35' ' ' ILE . 22.5 tp -55.36 -49.02 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.427 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.07 66.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.617 -0.719 . . . . 65.34 111.801 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 29' ' ' SER . 68.0 mmtt -70.28 -40.11 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.116 0.484 . . . . 71.02 110.012 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -74.97 -32.49 61.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.574 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 31' ' ' LEU . 77.0 mt -62.71 -39.2 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.042 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.53 -46.14 91.19 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.132 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 81' ' ' LEU . 60.3 mt -55.16 -43.04 73.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 71.4 110.784 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.16 75.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.047 -0.524 . . . . 51.31 110.701 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -71.85 -23.51 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 75.23 111.339 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 t -76.17 -28.93 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 73.54 110.552 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.22 -38.28 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 71.02 111.467 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.675 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 1.8 p -145.52 145.76 31.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.176 0.512 . . . . 73.22 111.245 -173.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.15 14.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.513 -0.767 . . . . 73.02 110.76 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.16 29.11 5.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.103 -0.57 . . . . 70.11 112.842 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.675 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.2 p -91.81 132.38 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.971 0.415 . . . . 54.33 110.946 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.83 147.21 44.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.591 -0.892 . . . . 52.41 108.591 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -137.15 141.75 42.23 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.706 0.765 . . . . 73.1 112.418 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -111.63 169.73 8.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.848 -1.069 . . . . 71.31 109.662 175.399 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.25 151.35 12.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.957 -0.565 . . . . 73.11 110.258 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -69.66 177.94 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 65.31 110.577 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 134.23 35.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.851 0.358 . . . . 73.13 110.274 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 6.5 mp -90.02 124.4 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.45 110.189 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p -125.84 -168.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.522 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.42 -41.2 80.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.06 0.457 . . . . 63.21 110.677 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -112.49 19.75 17.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.537 -0.756 . . . . 74.23 112.091 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -68.81 101.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.263 0.554 . . . . 43.02 111.229 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HD2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -104.79 6.43 33.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.446 -0.797 . . . . 72.54 109.897 175.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.677 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 47.6 mt-10 -142.56 140.39 31.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.077 -0.965 . . . . 64.32 109.666 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.665 HD23 ' HG ' ' A' ' 27' ' ' LEU . 1.9 pt? -148.02 145.66 28.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.954 0.407 . . . . 72.45 109.967 172.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.485 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 55.1 m -111.0 113.08 25.37 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.77 -0.65 . . . . 64.52 110.494 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.12 115.61 30.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.973 -0.558 . . . . 75.51 109.587 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.878 ' HG3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -100.78 115.53 30.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.934 -0.395 . . . . 74.32 109.934 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -100.87 118.15 36.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 73.52 110.477 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HB2' HG23 ' A' ' 8' ' ' ILE . 13.7 tmtt? -101.7 107.66 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.312 -0.625 . . . . 73.22 109.312 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.463 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 78.3 m-85 -82.87 -172.93 4.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.755 . . . . 75.42 110.011 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -101.75 -42.95 5.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 120.785 0.326 . . . . 64.12 110.307 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.62 163.17 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 63.21 110.501 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -66.93 -26.54 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 70.01 111.815 -176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.9 72.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.503 . . . . 74.13 110.721 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.14 -41.51 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.318 0.58 . . . . 71.42 110.316 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' ' HB1' ' A' ' 15' ' ' ALA . 13.0 tmtt? -58.42 -55.9 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.813 -1.085 . . . . 71.23 110.616 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.18 -42.75 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.286 -0.87 . . . . 75.34 111.591 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.417 ' HA ' HD11 ' A' ' 76' ' ' LEU . 76.5 mt -61.26 -39.06 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 73.42 110.975 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.42 -42.45 98.76 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.116 0.484 . . . . 70.01 110.272 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 35.4 mt-10 -68.69 -31.28 70.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 65.52 111.423 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 73' ' ' ILE . 90.2 mt -69.03 -48.84 61.91 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 120.924 0.392 . . . . 75.12 110.744 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.5 -47.45 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 71.41 111.397 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.561 -0.29 . . . . 64.45 111.771 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 21.1 mtm180 -66.23 -43.98 85.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.691 0.256 . . . . 75.42 111.691 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.1 t -88.94 -34.48 16.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.599 0.238 . . . . 71.51 111.517 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.6 tp . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 63.32 110.424 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.666 -0.494 . . . . 73.31 109.666 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.606 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.4 mt -57.09 -56.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.94 0.4 . . . . 72.14 110.762 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.5 mt -93.92 137.07 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.338 -0.392 . . . . 73.11 109.955 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -87.53 -175.76 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.904 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.72 171.42 15.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.611 0.719 . . . . 73.12 112.097 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.02 167.91 20.36 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.237 -1.145 . . . . 63.42 110.237 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 68' ' ' SER . 34.7 t70 -75.14 -19.19 60.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.867 0.833 . . . . 74.23 110.302 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -87.42 -7.03 58.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.815 -0.63 . . . . 74.41 110.087 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.21 121.01 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.909 -0.587 . . . . 74.34 110.669 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.47 104.34 13.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.35 -0.386 . . . . 72.21 110.112 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.601 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 28.1 t70 -88.97 130.81 35.39 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.312 0.577 . . . . 40.04 109.75 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.1 139.61 45.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 114.995 -1.002 . . . . 75.34 110.534 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -112.97 112.29 23.64 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.883 -0.599 . . . . 72.21 109.925 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' HB ' HD23 ' A' ' 59' ' ' LEU . 34.3 mt -98.17 145.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.412 -0.588 . . . . 61.03 109.412 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.38 151.84 46.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.849 0.357 . . . . 62.11 111.215 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -172.69 172.49 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.778 -0.823 . . . . 75.55 108.778 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -80.2 -25.23 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.572 0.582 . . . . 74.53 112.572 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -126.76 147.85 49.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 65.12 111.84 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 53' ' ' THR . 59.5 tttm -56.09 -42.08 76.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.611 -0.722 . . . . 63.22 110.364 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.95 -44.63 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 72.2 111.207 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.84 96.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.139 -0.482 . . . . 72.1 110.736 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' ' 59' ' ' LEU . 8.2 mp -54.94 -54.15 46.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.214 0.531 . . . . 63.41 110.218 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.88 -41.95 98.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.237 -0.892 . . . . 75.1 111.714 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.3 m -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 62.21 111.497 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 34.1 tt0 -73.8 -42.71 60.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.899 0.38 . . . . 64.45 110.026 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 35' ' ' ILE . 26.2 tp -53.09 -46.07 68.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.63 -0.714 . . . . 70.24 110.667 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.18 65.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 41.23 111.59 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.6 mmtt -74.93 -35.55 62.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.699 0.285 . . . . 63.44 111.124 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 8.3 m-85 -67.29 -38.58 85.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.884 -0.413 . . . . 71.2 109.884 173.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -65.74 -38.68 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.24 -0.437 . . . . 73.5 110.186 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.4 -48.41 81.85 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.136 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HD3' ' A' ' 77' ' ' LYS . 77.7 mt -63.79 -33.42 75.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.717 . . . . 74.41 110.587 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB2' HG13 ' A' ' 45' ' ' VAL . . . -65.1 -46.25 81.83 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.1 -0.5 . . . . 55.33 110.859 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.8 -30.84 71.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 70.34 111.129 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t -72.43 -27.58 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 54.44 110.286 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -94.77 -43.44 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.213 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.4 t -139.94 122.1 15.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.989 0.423 . . . . 50.01 110.641 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.56 58.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.817 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.63 49.82 0.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.789 -0.719 . . . . 64.31 112.078 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.45 HG13 ' HB2' ' A' ' 38' ' ' ALA . 6.6 p -90.55 118.73 36.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.3 0.571 . . . . 73.23 111.123 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.51 133.18 34.22 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.517 -0.549 . . . . 74.22 109.517 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 24.9 p90 -143.47 140.03 30.16 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.515 0.674 . . . . 75.05 112.286 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.606 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 12.1 m120 -110.43 167.36 10.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.996 -1.113 . . . . 74.22 107.996 173.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.25 159.49 3.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.902 -0.407 . . . . 65.44 109.902 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 m -67.7 170.6 7.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.858 -0.423 . . . . 72.14 109.858 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.04 133.22 34.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.059 0.457 . . . . 73.14 109.933 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.4 mt -89.9 138.2 31.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.111 -0.495 . . . . 72.01 110.666 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.538 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 23.1 p -129.1 178.93 6.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.837 -0.62 . . . . 74.11 109.513 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -55.83 -41.73 74.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.721 0.296 . . . . 54.42 111.757 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -122.25 36.39 4.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.106 0.41 . . . . 61.34 112.106 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 p -69.28 112.45 5.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.897 -0.721 . . . . 62.21 109.25 170.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -94.94 3.98 54.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 75.35 110.438 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -146.39 148.47 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 60.44 110.725 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.574 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.2 pt? -151.35 132.32 14.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.384 0.611 . . . . 74.41 109.728 170.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.413 HG21 HH21 ' A' ' 62' ' ' ARG . 18.4 m -107.08 115.48 30.26 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.363 -0.835 . . . . 74.54 109.905 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -120.96 129.24 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.863 -0.608 . . . . 73.31 110.555 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.601 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -107.33 117.29 33.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.442 . . . . 74.11 110.826 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.07 106.94 18.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.585 -0.734 . . . . 72.13 110.341 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' O ' ' A' ' 65' ' ' PHE . 10.7 tmtt? -93.6 119.7 32.96 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.576 -0.527 . . . . 73.21 109.576 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' O ' ' HE2' ' A' ' 64' ' ' LYS . 86.3 m-85 -99.15 173.68 6.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.842 -0.617 . . . . 74.04 110.282 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -81.17 -36.66 29.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 72.55 110.459 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 35.6 m -129.17 155.76 41.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.096 -0.502 . . . . 61.31 110.042 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.412 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 1.4 m -65.51 -20.88 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 53.13 111.044 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.95 85.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.161 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 86.0 mt-10 -62.13 -33.68 74.94 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.022 0.439 . . . . 73.43 110.277 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -58.83 -54.24 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.731 . . . . 75.24 110.19 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 95.3 mt -57.27 -45.27 84.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.988 -1.005 . . . . 72.55 111.362 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.9 mt -60.03 -38.57 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.83 0.347 . . . . 73.42 110.891 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.32 -46.81 78.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.374 -0.375 . . . . 73.42 110.261 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.93 -30.96 71.25 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.028 -0.533 . . . . 62.54 111.072 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 63.7 mt -66.64 -41.63 87.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.021 0.439 . . . . 74.44 110.764 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.492 ' HD3' HD23 ' A' ' 37' ' ' LEU . 53.9 mttp -71.41 -40.5 70.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 64.0 111.217 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 p -63.68 -35.51 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.098 -0.241 . . . . 72.3 110.966 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -57.36 -44.54 84.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.859 0.361 . . . . 72.03 111.765 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 m -80.35 -34.75 36.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 112.629 0.603 . . . . 74.11 112.629 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.328 0.585 . . . . 63.24 110.338 -179.416 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 112.989 0.736 . . . . 73.43 112.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.422 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 58.6 mt -79.07 -59.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.461 -0.79 . . . . 75.21 110.727 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 64' ' ' LYS . 81.9 mt -89.58 131.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 64.23 110.365 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -84.56 166.75 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 74.15 111.3 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.24 172.72 8.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 75.43 111.933 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.6 -145.64 9.18 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.697 -0.683 . . . . 63.53 111.503 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -118.34 -8.62 10.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.358 0.599 . . . . 72.43 110.007 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.6 -0.98 23.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.275 -0.875 . . . . 73.53 109.26 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -115.56 135.46 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 63.43 110.24 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.602 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -134.22 134.64 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.758 -0.46 . . . . 72.44 109.758 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -106.69 141.54 37.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.98 0.419 . . . . 71.4 110.687 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.53 125.41 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.694 -0.685 . . . . 71.33 110.045 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -108.93 110.87 22.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.413 -0.812 . . . . 73.13 109.59 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.503 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.3 mt -99.16 142.77 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.091 -0.504 . . . . 65.13 110.718 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.85 138.95 54.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.532 -0.758 . . . . 75.3 109.011 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.4 173.1 11.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.862 0.363 . . . . 62.32 111.138 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.76 -42.21 67.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.771 -0.649 . . . . 72.02 110.541 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -131.8 165.61 23.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 74.03 110.936 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.69 -45.36 85.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.61 -0.723 . . . . 71.24 110.789 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.55 -39.56 91.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 71.14 110.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.67 88.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 63.31 110.448 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HG ' HD23 ' A' ' 59' ' ' LEU . 9.9 tp -57.59 -50.0 74.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.621 -0.718 . . . . 64.14 109.67 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.87 -40.66 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.834 -1.075 . . . . 73.0 111.454 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -63.13 -47.62 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 71.23 111.17 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -35.4 74.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.357 -0.383 . . . . 74.41 110.782 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -55.96 -50.53 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 74.23 110.343 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.22 63.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.138 -0.937 . . . . 71.45 111.531 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.14 -41.84 81.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.64 0.257 . . . . 72.15 110.628 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -68.63 -38.78 80.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.77 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.22 -43.37 96.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.162 0.506 . . . . 75.54 110.244 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 73.11 110.881 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.27 -38.17 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.766 -0.652 . . . . 75.22 110.25 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.71 65.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 73.34 111.198 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -69.92 -22.54 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.33 111.337 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t -73.58 -24.43 60.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.135 -0.484 . . . . 52.24 109.842 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -95.07 -47.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 38.08 110.941 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.645 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 6.3 p -134.47 134.1 41.14 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.076 0.465 . . . . 73.34 110.988 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 -24.4 21.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.673 -0.694 . . . . 73.33 110.283 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 50.02 1.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.949 -0.569 . . . . 70.31 111.871 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.645 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.5 p -104.66 132.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 65.22 111.445 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -104.65 134.14 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.884 -0.784 . . . . 74.45 108.884 171.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 20.6 p90 -130.67 138.72 50.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.514 0.673 . . . . 72.45 112.141 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 8.3 m120 -107.93 154.77 21.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.077 -0.965 . . . . 74.54 108.879 174.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.95 136.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 108.512 -0.921 . . . . 62.3 108.512 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.18 176.27 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.055 0.455 . . . . 61.42 111.021 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.65 139.47 37.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.936 -0.575 . . . . 62.33 110.253 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.43 145.02 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -130.42 -169.02 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.072 -0.344 . . . . 73.11 110.072 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.41 -38.44 89.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.993 0.425 . . . . 55.3 111.225 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -121.52 29.61 7.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.477 -0.329 . . . . 65.52 111.813 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.415 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.7 p -65.97 98.29 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.208 0.528 . . . . 74.42 110.664 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -97.21 5.01 50.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.216 -0.902 . . . . 74.04 109.854 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -146.4 150.26 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 64.44 110.201 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD23 ' HG ' ' A' ' 27' ' ' LEU . 1.8 pt? -155.45 154.24 31.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.438 -0.579 . . . . 75.2 109.438 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 m -115.79 117.12 29.33 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.322 -0.399 . . . . 74.11 110.335 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.01 121.08 43.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.619 . . . . 72.13 110.591 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 tpp85 -100.47 115.38 29.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.849 -0.614 . . . . 71.43 109.796 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.69 119.0 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 65.11 111.44 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -102.14 103.48 14.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.761 -0.829 . . . . 74.24 108.761 176.717 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -84.82 160.25 20.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.637 -0.505 . . . . 74.45 109.637 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -55.29 10.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.477 -0.329 . . . . 53.31 110.266 -175.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.27 161.09 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.304 . . . . 61.1 110.88 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.0 m -62.18 -29.68 70.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 71.34 111.651 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.19 -43.06 99.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 54.41 111.223 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.63 -33.52 76.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 70.32 110.586 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.602 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -60.98 -52.82 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.511 -0.768 . . . . 74.43 109.624 176.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -58.05 -38.83 77.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.642 -1.163 . . . . 71.33 111.605 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.9 mt -60.89 -46.74 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.774 0.321 . . . . 73.4 110.986 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -58.8 -41.2 86.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.33 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.726 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 51.8 mt-10 -67.04 -42.8 84.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.811 -0.631 . . . . 71.14 110.83 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -58.42 -40.3 82.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 120.956 0.408 . . . . 71.14 110.943 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 50.5 mtpt -71.92 -36.49 69.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 74.24 111.317 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.48 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 4.6 p -75.97 -20.57 57.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.902 0.334 . . . . 74.4 111.902 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.726 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 7.4 mmp_? -57.28 -54.63 44.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.052 0.453 . . . . 73.14 110.528 176.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -74.62 -15.33 60.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.693 -0.685 . . . . 52.11 111.505 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 13.7 tp . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 121.047 0.451 . . . . 74.44 110.663 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.438 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 97.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 75.31 110.815 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.0 -54.1 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 64.55 110.282 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 64' ' ' LYS . 91.5 mt -80.09 134.17 28.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.644 -0.707 . . . . 71.34 110.037 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 45.1 mtmt -82.29 173.77 11.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.85 -0.614 . . . . 61.44 111.061 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 168.81 9.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.942 -0.572 . . . . 55.22 110.412 172.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.05 171.35 31.18 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.59 -0.814 . . . . 38.32 112.611 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.11 -35.65 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.536 0.684 . . . . 71.13 110.918 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.64 13.29 28.79 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.082 -0.963 . . . . 72.44 110.981 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.95 133.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 51.5 110.8 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . . . -143.36 113.69 7.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.381 -0.372 . . . . 40.41 110.151 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 3.4 p30 -98.05 133.9 41.89 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.532 0.682 . . . . 71.35 110.742 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.46 135.53 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.056 -0.975 . . . . 54.25 109.731 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -102.44 126.78 49.58 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.704 -0.68 . . . . 74.32 110.113 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.559 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 57.3 mt -98.82 142.8 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.28 -0.873 . . . . 74.12 110.052 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.13 134.52 47.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.934 -0.575 . . . . 73.25 109.936 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -161.81 -175.35 4.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.609 -0.723 . . . . 60.11 109.972 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.96 -34.21 20.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 111.779 0.289 . . . . 74.12 111.779 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -134.92 162.22 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.831 0.308 . . . . 75.42 111.831 -173.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.697 ' HG3' ' HB3' ' A' ' 52' ' ' LEU . 79.1 tttt -54.61 -43.67 72.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.701 -0.681 . . . . 61.02 110.292 172.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -53.46 -49.23 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.903 -1.044 . . . . 75.42 111.196 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.02 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.494 . . . . 70.41 110.603 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.636 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.1 mp -55.2 -51.08 67.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.016 -0.538 . . . . 73.31 110.682 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -59.92 -38.98 83.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.945 -0.57 . . . . 62.12 111.333 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 m -63.9 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.078 0.466 . . . . 62.34 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.57 -36.8 73.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.968 -0.56 . . . . 64.33 111.342 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.74 -46.72 86.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 74.02 110.026 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.74 69.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.269 -0.878 . . . . 53.11 111.383 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -65.01 -45.94 83.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.811 0.338 . . . . 72.12 111.076 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.32 -43.71 93.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.591 . . . . 74.24 111.371 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.74 -41.53 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 75.43 110.325 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -46.14 89.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 75.21 110.384 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -37.83 77.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.737 -0.665 . . . . 72.44 110.707 177.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.43 -46.11 64.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 43.25 110.621 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 98.6 mttt -67.47 -25.96 66.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 74.23 111.117 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -70.55 -24.94 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.52 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -94.25 -39.44 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.023 0.439 . . . . 74.1 110.414 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.714 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 3.5 p -145.96 129.17 16.68 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.123 -0.49 . . . . 73.53 110.998 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.1 -15.17 36.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.014 0.435 . . . . 42.24 110.585 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.35 34.72 5.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.942 -0.646 . . . . 62.41 111.984 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.714 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -85.01 135.16 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.066 0.46 . . . . 61.02 111.083 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -104.55 124.77 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.904 -0.776 . . . . 74.25 108.904 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -136.87 147.01 46.23 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.295 0.569 . . . . 63.0 111.832 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -121.36 155.73 34.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.266 -0.879 . . . . 72.13 109.062 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.09 141.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.442 -0.799 . . . . 74.42 108.891 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -66.41 165.46 14.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 63.1 109.609 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.04 133.03 34.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.577 -0.527 . . . . 63.25 109.577 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.697 ' HB3' ' HG3' ' A' ' 24' ' ' LYS . 6.1 mp -94.49 133.39 38.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.725 -0.671 . . . . 65.22 110.886 -172.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 11.3 p -124.59 174.26 7.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.803 -0.635 . . . . 72.23 109.559 172.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.03 -31.92 61.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.079 0.466 . . . . 73.22 111.85 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.1 -4.65 58.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.699 -0.682 . . . . 74.32 112.372 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -75.88 116.21 16.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.071 0.462 . . . . 70.41 110.746 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -109.44 1.91 20.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.343 0.592 . . . . 55.32 109.661 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.56 154.07 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.152 -0.931 . . . . 74.44 110.119 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.636 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.0 152.86 23.27 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.602 -0.518 . . . . 71.51 109.602 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.438 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 42.0 m -114.52 119.81 38.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.098 0.475 . . . . 70.12 110.476 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.52 28.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.841 -0.618 . . . . 50.44 109.686 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 37.1 ttm180 -92.62 116.18 28.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.396 -0.365 . . . . 74.23 110.485 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.01 119.37 38.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 71.55 110.294 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HB2' HG22 ' A' ' 8' ' ' ILE . 14.4 tmtt? -107.11 116.07 31.28 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.118 -0.697 . . . . 75.32 109.118 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -98.69 -176.78 3.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.664 -0.698 . . . . 72.04 110.664 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.07 -41.22 12.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 61.1 109.954 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 164.09 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 75.32 110.568 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.7 m -67.82 -23.64 65.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 72.21 111.2 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.97 -48.38 82.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.0 -0.545 . . . . 54.04 110.796 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.49 -40.59 91.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.092 0.472 . . . . 61.12 110.237 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 3.0 tmmm? -56.42 -53.23 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.975 . . . . 71.12 109.722 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.61 -48.57 81.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.894 -1.048 . . . . 75.23 111.76 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.7 mt -61.63 -42.9 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.623 -0.262 . . . . 70.12 111.557 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.88 -44.64 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 71.44 110.136 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 25.6 mm-40 -63.59 -40.59 97.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.779 -0.646 . . . . 61.05 111.566 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.98 -40.71 96.99 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.773 0.321 . . . . 73.3 111.173 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.72 -43.05 85.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.44 111.242 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.542 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 22.3 p -66.44 -23.82 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 71.3 111.96 -175.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 16.7 mmt85 -58.6 -44.39 89.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.002 0.429 . . . . 73.01 110.616 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 m -84.24 -28.96 26.88 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.089 -0.505 . . . . 74.33 111.301 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 12.0 tp . . . . . 0 N--CA 1.447 -0.593 0 CA-C-O 121.155 0.502 . . . . 44.43 110.86 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.89 0.376 . . . . 75.14 110.151 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.4 mt -79.64 -36.22 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.524 . . . . 71.12 110.28 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -84.64 120.34 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.708 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 9' ' ' LYS . 4.2 ttmp? -82.81 161.39 22.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.542 -0.754 . . . . 70.15 110.32 -178.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.08 170.43 9.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.73 0.412 . . . . 73.04 111.04 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.58 -174.73 42.66 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.803 -0.713 . . . . 70.45 112.142 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.01 -15.6 58.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.997 0.427 . . . . 74.52 110.676 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.71 14.04 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 74.51 110.418 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 9' ' ' LYS . 47.4 t -130.07 138.27 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.793 -0.64 . . . . 74.44 111.027 -177.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . . . -156.74 140.74 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.742 -0.466 . . . . 61.11 109.742 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.699 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 18.1 p30 -107.35 150.26 26.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.417 0.627 . . . . 62.44 110.818 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 t -121.27 133.11 68.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.374 -0.83 . . . . 50.42 109.528 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -104.93 110.79 23.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.463 -0.79 . . . . 74.44 109.555 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.506 ' HB ' HD21 ' A' ' 59' ' ' LEU . 22.4 mt -99.0 143.62 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.515 . . . . 63.42 110.613 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -128.46 140.6 51.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.684 -0.689 . . . . 74.52 109.351 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -155.53 -179.43 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.682 0.277 . . . . 74.12 111.069 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.84 -42.56 90.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 62.01 111.772 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -146.18 169.74 18.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 72.43 111.796 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -48.91 -50.81 33.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.509 -0.769 . . . . 74.55 111.086 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.05 -45.49 86.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.436 -0.802 . . . . 72.23 110.834 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.77 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 62.42 111.101 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.648 ' HG ' HD23 ' A' ' 59' ' ' LEU . 5.7 mp -56.38 -53.94 51.47 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.118 -0.492 . . . . 74.35 110.127 174.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.37 -33.69 76.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 65.45 111.947 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -64.56 -46.59 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 53.01 110.959 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -71.47 -39.25 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 73.31 110.163 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.76 -45.41 85.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.729 -0.669 . . . . 75.44 110.434 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.53 -41.23 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.251 -0.886 . . . . 72.24 111.01 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.76 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 63.43 111.143 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.03 -36.43 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.46 -0.336 . . . . 74.04 110.681 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.95 -40.99 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.22 0.533 . . . . 71.12 109.81 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -61.81 -43.3 99.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.108 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 64.05 109.954 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.07 76.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 51.34 110.701 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -64.32 -28.83 69.98 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.241 -0.436 . . . . 70.42 110.757 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -68.82 -33.8 74.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.954 -0.566 . . . . 73.44 110.262 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -86.85 -43.35 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.335 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -148.4 137.0 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.098 0.475 . . . . 41.24 110.517 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.49 -10.06 56.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.982 -0.554 . . . . 62.41 110.788 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.09 34.59 4.77 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.948 -0.644 . . . . 64.41 112.098 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.58 126.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.323 0.582 . . . . 72.45 111.307 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.13 132.8 46.42 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.142 -0.688 . . . . 71.33 109.142 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 18.6 p90 -144.34 142.21 30.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.846 0.684 . . . . 72.41 112.846 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.99 160.74 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.853 -1.067 . . . . 65.55 108.125 170.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -145.52 137.97 20.74 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 109.322 -0.621 . . . . 71.52 109.322 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.92 147.07 30.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.912 -0.773 . . . . 71.14 108.912 173.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.05 146.1 30.8 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.484 -0.486 . . . . 62.24 110.073 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 149.78 29.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.783 -0.644 . . . . 74.35 110.883 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.65 -165.95 1.11 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.441 -0.8 . . . . 73.1 109.258 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.69 -53.92 19.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.908 -0.317 . . . . 72.21 111.14 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -109.52 28.25 8.73 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 72.42 111.866 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -65.02 120.28 12.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.293 0.568 . . . . 74.12 110.774 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -119.79 8.55 11.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.112 -0.949 . . . . 72.51 108.663 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.9 142.66 30.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.182 -1.372 . . . . 75.02 109.868 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.648 HD23 ' HG ' ' A' ' 27' ' ' LEU . 2.4 pt? -146.16 152.97 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.775 0.322 . . . . 73.51 110.136 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 m -116.99 115.52 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.356 -0.383 . . . . 73.44 110.695 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.16 114.84 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.998 -0.547 . . . . 54.14 110.708 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.699 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 22.1 tpp85 -92.96 115.4 28.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.915 -0.584 . . . . 71.32 109.782 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.35 138.12 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 73.25 111.486 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -129.21 133.58 47.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.661 -0.699 . . . . 71.42 109.85 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -109.37 -177.96 3.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.332 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.88 -52.1 8.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.502 . . . . 73.42 110.022 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.1 m -115.83 155.99 17.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.252 -0.431 . . . . 53.51 110.592 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -27.16 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 64.23 111.435 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -63.07 -45.1 93.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 72.51 110.911 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 56.7 mt-10 -60.09 -36.97 78.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.155 0.502 . . . . 71.24 110.748 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.721 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -62.14 -53.68 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 74.41 109.652 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 92.3 mt -60.35 -43.12 96.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.185 -0.916 . . . . 72.04 111.525 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 69' ' ' ALA . 35.3 mm -60.91 -40.91 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 71.11 110.975 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 75.5 110.084 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.93 -39.54 94.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.791 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 82.4 mt -66.94 -43.97 81.81 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.079 -0.51 . . . . 54.43 111.506 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.74 -34.68 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.753 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 p -68.6 -29.16 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.943 -0.303 . . . . 74.35 110.795 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.9 mmt180 -59.58 -43.69 93.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.874 0.369 . . . . 72.24 111.102 175.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 m -76.06 -17.81 59.48 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.104 -0.498 . . . . 75.24 111.544 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 121.385 0.612 . . . . 50.31 110.458 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.747 0.308 . . . . 73.42 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.0 -50.92 78.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.704 -0.68 . . . . 72.44 110.709 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.2 132.06 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 72.53 110.624 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -80.49 -175.86 5.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.657 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.89 177.24 8.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.964 0.411 . . . . 72.41 110.853 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.41 166.44 24.4 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.95 -0.643 . . . . 71.01 111.703 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.95 -14.42 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.066 0.46 . . . . 73.5 110.204 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.96 -4.67 39.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.515 0.674 . . . . 61.42 109.489 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -93.83 123.65 46.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 75.44 110.269 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 38.55 110.261 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -88.42 129.38 35.44 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.177 -0.675 . . . . 73.3 109.177 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.94 138.58 53.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 121.297 0.57 . . . . 62.31 110.114 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 m -124.78 110.21 14.05 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.762 -0.653 . . . . 75.3 109.465 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -98.4 136.49 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.199 -0.667 . . . . 63.32 109.199 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -135.03 139.7 45.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.029 0.442 . . . . 74.13 111.34 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -166.64 170.01 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.176 -0.92 . . . . 54.32 108.784 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 67.9 mm-40 -86.28 -12.05 50.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.751 0.648 . . . . 74.14 112.751 -174.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.8 p -123.72 143.35 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.957 -0.297 . . . . 71.43 110.57 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.17 -35.21 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.37 0.605 . . . . 72.23 109.403 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.748 -1.114 . . . . 75.4 111.035 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.26 96.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.723 0.296 . . . . 40.4 110.601 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 21' ' ' ALA . 10.3 mp -55.12 -48.95 72.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 73.31 110.359 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.75 -29.32 69.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.68 . . . . 72.23 111.697 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.7 m -77.19 -50.3 13.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 74.13 111.089 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -64.65 -38.6 91.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.279 -0.419 . . . . 53.21 111.054 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.0 -45.46 82.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.108 0.48 . . . . 71.41 110.419 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.96 -38.79 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.199 -0.909 . . . . 54.12 111.228 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.71 -38.93 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 75.11 111.354 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 59.0 m-85 -68.63 -38.64 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.453 -0.34 . . . . 73.34 110.392 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.04 -40.76 90.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 65.45 109.991 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -57.9 -48.88 78.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.742 -0.663 . . . . 63.3 111.1 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.47 -26.73 63.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.73 -0.668 . . . . 63.23 111.355 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.43 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 45.51 110.379 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 46.6 mtmt -64.28 -29.82 70.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.688 -0.687 . . . . 75.23 110.028 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -61.53 -34.77 76.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.202 -0.908 . . . . 74.42 110.417 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.57 -53.98 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.937 -0.574 . . . . 71.12 110.23 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.607 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 10.4 p -143.07 141.17 31.2 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.083 0.468 . . . . 63.41 110.713 -174.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.47 -25.17 22.75 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.694 -0.684 . . . . 72.04 110.091 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.83 44.62 2.53 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.743 -0.662 . . . . 73.21 112.366 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.607 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -98.16 122.82 50.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.018 0.437 . . . . 75.2 110.665 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.3 135.38 36.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.257 -0.646 . . . . 73.11 109.257 175.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 38.3 p90 -143.17 145.28 32.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.838 0.827 . . . . 74.13 112.325 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.94 167.12 12.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.759 -1.109 . . . . 75.31 108.337 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.78 152.83 5.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.932 -0.396 . . . . 74.32 109.932 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.74 161.64 27.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.7 -0.481 . . . . 60.21 109.7 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.64 133.16 34.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.072 0.463 . . . . 72.44 109.773 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 52' ' ' LEU . 3.2 mm? -69.37 117.83 11.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.811 -177.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 p -91.09 -170.68 2.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.759 -0.655 . . . . 70.12 109.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.7 -34.01 64.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.864 0.32 . . . . 74.43 111.864 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -131.98 39.0 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.891 0.33 . . . . 73.03 111.891 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -65.97 113.84 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 53.43 110.359 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 35.1 mmtp -84.06 -21.31 31.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 73.14 109.839 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.24 145.88 30.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.431 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 52' ' ' LEU . 2.4 pt? -131.55 146.8 52.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.802 -0.635 . . . . 73.22 109.398 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -106.93 124.72 50.03 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.073 -0.512 . . . . 74.51 110.445 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.13 138.39 53.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.839 -0.619 . . . . 61.2 110.074 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 32.5 ttm180 -117.11 115.41 25.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.177 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -105.36 114.27 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 74.42 110.959 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -95.35 105.96 17.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 64.32 109.954 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 95.2 m-85 -88.22 169.91 11.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.191 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.06 -56.91 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.323 0.582 . . . . 75.11 109.958 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.6 m -133.56 171.59 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.513 -0.767 . . . . 72.12 109.816 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.0 p -68.59 -22.35 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.877 0.37 . . . . 71.41 111.536 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 73.32 110.754 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.43 -38.04 85.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.393 0.616 . . . . 73.35 109.892 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 30.4 ttpt -57.75 -57.25 13.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.968 -1.015 . . . . 73.44 110.511 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 68' ' ' SER . 94.6 mt -51.99 -43.35 63.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.665 -1.152 . . . . 65.41 111.651 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 75.2 mt -61.48 -46.72 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 63.31 110.47 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.59 -46.45 84.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 65.4 110.531 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 39.0 mt-10 -61.83 -37.89 86.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.905 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.53 -42.9 86.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.391 -0.368 . . . . 71.42 111.451 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 43.4 mtmt -72.89 -34.21 66.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.107 -0.237 . . . . 70.44 111.545 -177.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 p -69.55 -24.84 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.712 0.264 . . . . 74.35 111.712 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 98.8 mtt180 -59.95 -44.51 94.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.864 0.364 . . . . 74.13 110.909 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.34 -12.88 61.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.863 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 121.028 0.442 . . . . 75.02 110.771 -179.639 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.433 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 56.4 m-85 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.827 0.346 . . . . 72.13 111.836 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.48 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.7 mt -66.77 -65.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.586 -0.524 . . . . 64.14 109.586 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.2 120.92 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.305 -0.628 . . . . 72.03 109.305 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -79.38 -175.83 4.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.559 -0.746 . . . . 75.13 110.857 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.96 173.23 6.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.552 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.9 30.11 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 119.822 -1.18 . . . . 71.51 112.717 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.07 -20.46 13.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.702 0.763 . . . . 71.44 109.03 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -103.03 -4.07 25.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.558 -1.201 . . . . 72.2 109.138 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.78 126.46 55.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.267 -0.879 . . . . 55.01 110.57 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -111.95 104.4 12.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 65.04 109.48 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.7 134.75 34.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 65.25 110.155 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.71 139.66 50.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.568 -0.742 . . . . 74.52 110.575 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -109.56 116.36 31.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.203 -0.908 . . . . 73.31 109.063 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' HB ' HD23 ' A' ' 59' ' ' LEU . 14.0 mt -98.35 137.88 24.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.328 -0.396 . . . . 71.11 110.178 -174.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.8 137.93 53.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.852 -0.613 . . . . 73.43 110.407 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HD13 ' A' ' 27' ' ' LEU . . . -160.73 160.13 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.992 -0.549 . . . . 73.51 110.131 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.03 -45.33 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.809 0.3 . . . . 74.03 111.809 -176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.5 p -107.39 151.88 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.068 -0.253 . . . . 74.02 111.127 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -61.05 -35.39 76.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.427 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.91 -43.9 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 74.42 110.481 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.82 98.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 72.52 110.509 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 21' ' ' ALA . 4.0 mp -55.28 -49.97 70.73 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.914 0.387 . . . . 72.32 110.62 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.01 -33.63 76.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 72.1 111.582 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -70.54 -50.1 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.538 -0.301 . . . . 61.24 110.958 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.27 -41.95 97.81 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.288 -0.415 . . . . 72.22 110.771 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -51.22 70.84 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.903 -0.59 . . . . 50.23 109.93 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -51.49 -50.53 59.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.968 -1.014 . . . . 73.11 111.001 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -62.21 -39.39 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 72.12 111.742 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.497 -0.319 . . . . 74.21 110.341 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.4 -37.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.272 0.558 . . . . 74.14 109.607 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 25.7 mm-40 -63.37 -41.06 98.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.765 -0.652 . . . . 74.13 110.414 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD21 ' HE3' ' A' ' 77' ' ' LYS . 2.5 tt -61.54 -38.14 86.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.694 -0.684 . . . . 75.43 109.978 174.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 43.12 110.838 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -63.25 -31.15 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.306 0.574 . . . . 72.12 110.536 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -72.41 -20.03 61.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 73.51 110.232 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -93.93 -47.16 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.735 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 t -147.36 139.83 24.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.897 0.38 . . . . 74.04 110.249 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -9.43 51.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.153 -0.476 . . . . 74.34 111.16 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.17 21.45 22.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 52.33 112.36 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.33 116.68 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.506 0.67 . . . . 73.14 111.639 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -90.85 138.1 31.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.469 -0.937 . . . . 74.33 108.469 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.521 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 55.3 p90 -142.73 155.78 44.92 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.626 -0.83 . . . . 74.22 112.781 -174.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 17.3 m120 -129.99 163.55 26.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.592 -1.185 . . . . 70.25 108.898 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.5 t -144.13 138.63 24.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.569 -0.742 . . . . 74.24 109.221 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 p -62.9 158.8 18.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 72.14 110.792 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.09 120.33 22.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.893 -0.594 . . . . 74.25 110.176 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 59' ' ' LEU . 94.7 mt -76.35 144.23 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.345 -0.843 . . . . 71.34 111.12 -173.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.3 p -127.14 173.08 9.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.839 -0.618 . . . . 72.14 109.776 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.63 -48.12 82.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.414 -0.357 . . . . 73.54 111.672 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -115.26 44.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.626 0.602 . . . . 50.25 112.626 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -85.93 116.73 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.547 -0.909 . . . . 70.44 108.547 165.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -91.0 -2.9 57.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.162 0.506 . . . . 74.12 110.108 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.7 162.57 40.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 70.23 109.885 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD23 ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -148.7 154.87 40.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 63.35 110.018 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.433 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 m -112.09 126.46 55.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.32 -0.4 . . . . 64.11 110.428 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.84 138.64 51.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.014 -0.539 . . . . 64.54 111.071 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.5 mmt180 -103.08 115.99 31.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.879 -0.6 . . . . 52.05 109.582 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.21 105.8 15.0 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.722 -0.391 . . . . 74.2 110.18 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -100.16 116.16 31.52 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.26 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -99.11 -171.3 2.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.011 -0.541 . . . . 75.32 110.073 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -87.31 -49.38 7.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.038 0.447 . . . . 75.12 110.51 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.41 157.01 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.885 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 m -62.66 -19.83 64.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 65.15 111.716 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -68.06 -37.96 81.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 65.21 111.105 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.34 -32.08 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.013 -0.539 . . . . 74.42 110.628 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 58.5 tttp -54.88 -59.39 4.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.839 0.828 . . . . 52.23 110.004 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -55.04 -47.56 74.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.092 -1.413 . . . . 75.15 111.698 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.8 mt -57.83 -45.59 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.738 0.304 . . . . 74.12 111.205 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.59 -44.86 95.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.411 . . . . 60.41 110.661 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.09 -28.96 69.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 71.05 111.216 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.72 -47.78 36.86 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.848 0.356 . . . . 73.45 111.314 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.457 ' HE3' HD21 ' A' ' 37' ' ' LEU . 32.5 mtmt -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 71.33 111.531 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -66.8 -31.23 71.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.599 0.238 . . . . 54.4 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 3.9 mmp_? -62.04 -44.05 97.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.855 0.359 . . . . 64.51 111.247 178.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -82.49 -12.78 57.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.297 -0.41 . . . . 72.24 111.411 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 121.064 0.459 . . . . 64.35 110.544 177.834 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.561 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 62.0 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.31 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -75.39 -52.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.734 -0.666 . . . . 74.32 110.212 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.35 131.08 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 71.45 110.438 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 13.0 tmtt? -81.43 155.94 25.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.082 -0.508 . . . . 75.0 110.057 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.653 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 4.1 tm-20 -53.83 162.76 0.84 Allowed 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 115.259 -0.882 . . . . 71.14 111.594 176.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.8 -177.55 43.08 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.391 -0.909 . . . . 40.15 112.816 -176.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.27 -40.2 96.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.243 0.544 . . . . 72.42 110.847 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.15 6.1 49.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.47 -0.786 . . . . 70.43 110.36 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -109.97 139.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.389 -0.823 . . . . 75.22 110.509 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB1' ' HG3' ' A' ' 71' ' ' LYS . . . -135.64 138.65 43.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.348 . . . . 72.14 110.422 175.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.95 138.38 35.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.062 0.458 . . . . 74.53 110.013 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.19 129.25 75.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.642 -0.708 . . . . 73.05 109.127 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 m -115.53 114.19 24.65 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.883 -0.598 . . . . 72.32 110.119 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 14.4 mt -97.95 134.8 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.037 -0.727 . . . . 73.24 109.037 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.579 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 29.2 p90 -140.42 140.95 35.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.026 -0.534 . . . . 75.41 110.621 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.32 -171.31 1.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.498 -0.773 . . . . 72.41 109.841 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.98 -15.17 23.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.708 -0.224 . . . . 63.41 111.261 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -130.22 143.75 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 74.51 111.542 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HD2' ' HA ' ' A' ' 54' ' ' GLU . 68.1 tttt -59.89 -38.95 83.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.499 0.666 . . . . 74.21 109.328 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.49 -45.29 66.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 70.21 111.495 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.47 91.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 55.25 110.251 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 59' ' ' LEU . 9.9 mp -54.72 -50.61 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 75.51 110.669 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.88 -41.57 98.03 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.024 -0.535 . . . . 75.3 111.526 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 m -63.92 -45.33 89.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 72.2 110.997 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -72.19 -37.9 69.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 116.043 -0.526 . . . . 74.33 111.119 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.2 tp -57.18 -48.52 78.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.143 0.497 . . . . 55.14 109.917 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.93 -44.1 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.116 -0.947 . . . . 61.34 111.111 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.34 -41.6 96.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.765 0.317 . . . . 51.21 110.916 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.34 -36.53 79.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.833 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 HG21 ' HE3' ' A' ' 39' ' ' LYS . 78.0 mt -66.68 -36.57 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.484 . . . . 61.14 109.769 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -65.75 -43.73 88.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.758 -0.655 . . . . 63.51 111.309 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 HD13 HD22 ' A' ' 81' ' ' LEU . 64.5 mt -66.37 -34.09 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.854 0.359 . . . . 75.03 110.317 175.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.42 83.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 64.3 110.616 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HE3' HG21 ' A' ' 35' ' ' ILE . 92.1 mttt -65.37 -45.0 85.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.298 -0.41 . . . . 75.53 110.881 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 m -63.12 -31.36 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 63.24 111.177 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 37' ' ' LEU . 91.4 t -85.68 -39.27 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.378 -0.374 . . . . 43.41 111.195 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.3 t -145.96 116.3 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.847 0.356 . . . . 54.53 110.488 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.76 87.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.25 -0.432 . . . . 64.11 111.046 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.83 55.65 0.5 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.975 -0.631 . . . . 62.43 111.749 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.3 p -72.4 128.7 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 63.1 111.506 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -93.27 122.98 36.23 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.086 -0.506 . . . . 70.24 109.641 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 39.1 p90 -144.8 150.66 37.55 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.683 -0.69 . . . . 75.31 112.111 -176.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.51 167.62 13.14 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.134 -1.062 . . . . 73.23 108.134 172.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -157.77 148.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.806 0.336 . . . . 74.12 110.533 -176.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.47 156.48 39.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.077 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -95.84 129.15 43.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.366 0.603 . . . . 62.22 109.403 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD13 ' HE3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -116.65 162.65 17.32 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.619 -0.719 . . . . 63.43 112.284 -172.265 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.0 p -114.35 -166.54 1.11 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.017 -0.992 . . . . 50.03 108.751 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 2.6 mp0 -79.62 -12.75 59.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.861 0.362 . . . . 65.21 110.807 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.96 -5.51 24.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 72.1 112.134 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.7 m -69.27 122.4 18.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.141 0.496 . . . . 63.05 110.85 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 87.8 mttt -95.39 -9.8 31.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.87 -0.604 . . . . 72.23 110.739 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.4 pt-20 -143.57 150.86 39.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.847 0.356 . . . . 72.35 111.239 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 27' ' ' LEU . 2.7 pt? -149.74 148.55 29.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.976 -0.75 . . . . 62.01 108.976 170.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.561 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 57.4 m -110.64 118.84 37.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.365 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.52 122.91 48.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.898 -0.592 . . . . 73.35 109.942 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 36.4 ttm180 -104.54 115.9 31.15 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.947 -0.569 . . . . 71.1 110.351 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.74 135.7 53.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 74.25 111.846 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -123.79 120.06 31.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.822 -0.807 . . . . 75.53 108.822 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.13 -169.87 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 74.41 111.5 -171.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.604 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 24.3 mm-40 -47.85 -55.04 10.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.587 -0.733 . . . . 74.43 110.512 178.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' HG2' ' A' ' 70' ' ' GLU . 21.8 m -144.42 175.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.249 -0.887 . . . . 63.4 109.11 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -67.79 -23.38 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 74.22 111.756 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.91 85.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.073 -0.512 . . . . 74.45 110.979 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.604 ' HG3' ' HB2' ' A' ' 66' ' ' GLU . 7.9 mm-40 -64.13 -32.62 74.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 52.04 110.218 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HG3' ' HB1' ' A' ' 15' ' ' ALA . 22.7 ttmt -53.42 -58.53 6.8 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.574 0.702 . . . . 54.42 109.842 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 91.0 mt -50.78 -47.76 59.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.096 -1.411 . . . . 63.33 111.316 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.507 HG22 ' HE2' ' A' ' 77' ' ' LYS . 63.4 mt -60.96 -43.78 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 53.12 111.158 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -62.3 -47.95 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 64.42 110.215 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 5.8 mm-40 -55.18 -47.21 75.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 63.1 110.487 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 56.7 mt -58.18 -45.7 87.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.041 -0.527 . . . . 74.11 111.647 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HE2' HG22 ' A' ' 73' ' ' ILE . 55.8 mtmt -73.57 -32.33 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.518 -0.31 . . . . 73.35 111.335 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.3 m -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.751 0.31 . . . . 74.23 110.599 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 79' ' ' ARG . 11.8 mmt180 -57.9 -44.9 87.04 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.732 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 m -67.23 -37.6 83.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.988 -0.551 . . . . 64.31 111.502 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 HD22 HD13 ' A' ' 37' ' ' LEU . 12.7 tp . . . . . 0 N--CA 1.442 -0.839 0 CA-C-N 116.299 -0.41 . . . . 60.4 110.427 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.719 -0.474 . . . . 73.42 109.719 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.3 -54.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.932 0.396 . . . . 61.41 110.539 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 64' ' ' LYS . 77.3 mt -82.43 133.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.071 -0.513 . . . . 74.15 110.475 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -95.99 -175.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.76 . . . . 65.23 110.961 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -71.13 165.45 23.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.214 -0.448 . . . . 75.01 111.271 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.44 -164.77 34.15 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.335 -0.706 . . . . 61.21 111.335 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.54 -25.94 14.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.789 0.804 . . . . 71.05 109.26 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 1.2 pm0 -98.86 -0.33 42.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.49 -1.232 . . . . 71.21 110.092 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG21 ' HG2' ' A' ' 13' ' ' GLU . 37.0 t -125.41 133.54 69.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 61.14 110.589 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -141.47 151.88 43.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.366 -0.379 . . . . 72.13 110.269 178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 5.9 p-10 -104.98 133.61 49.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.425 0.631 . . . . 75.33 110.238 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 t -120.46 128.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.327 -0.851 . . . . 62.13 109.704 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 57.5 m -111.15 117.53 33.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.193 -0.912 . . . . 64.24 109.258 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 55.5 mt -97.43 144.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.168 -0.469 . . . . 75.33 109.783 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.34 138.41 54.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.035 -0.529 . . . . 74.41 110.367 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -165.92 160.19 16.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.23 -0.895 . . . . 70.04 108.904 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.28 -36.45 27.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.962 0.356 . . . . 60.31 111.962 -174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -110.65 144.88 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.699 -0.228 . . . . 65.13 111.07 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -55.97 -43.11 77.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.956 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.26 -46.3 69.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.492 -0.776 . . . . 75.33 110.945 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.69 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.48 -0.327 . . . . 64.31 110.744 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' HB1' ' A' ' 21' ' ' ALA . 5.9 mp -54.23 -53.87 47.69 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.338 0.59 . . . . 73.11 110.137 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.04 -31.06 70.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.189 -0.914 . . . . 72.14 112.141 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -74.71 -46.82 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.507 0.194 . . . . 64.11 111.191 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -68.87 -34.65 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.042 0.449 . . . . 37.28 109.842 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.33 -50.27 59.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.406 -0.816 . . . . 73.5 110.347 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.56 71.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.004 -0.998 . . . . 51.11 111.303 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.63 -35.43 80.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 75.54 111.021 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.23 -39.22 78.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.33 -0.395 . . . . 75.11 110.564 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.6 mt -65.09 -40.56 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.915 -0.402 . . . . 72.21 109.915 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -59.98 -45.38 92.89 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.861 -0.609 . . . . 52.43 110.981 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -33.61 76.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 51.11 109.955 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.07 76.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.152 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.96 -30.81 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 74.43 110.762 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -65.88 -30.44 71.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.663 -0.698 . . . . 52.53 110.703 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.3 t -93.99 -45.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 61.15 111.029 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.6 t -134.28 125.54 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.168 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.15 -7.5 59.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.973 -0.558 . . . . 65.11 110.92 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.32 34.85 4.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.693 -0.765 . . . . 41.23 112.12 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.74 124.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 61.32 111.312 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -110.11 151.31 27.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.522 -0.763 . . . . 71.55 109.268 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.561 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 51.5 p90 -143.79 150.92 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.119 0.785 . . . . 70.54 113.119 -176.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 12.8 m120 -115.08 168.79 9.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.365 -1.289 . . . . 72.04 107.702 169.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.3 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.693 -0.403 . . . . 62.41 110.757 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.91 168.19 14.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 65.44 109.679 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.48 133.36 34.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.967 0.413 . . . . 65.24 109.91 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 52' ' ' LEU . 6.7 mp -86.34 157.24 19.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 73.24 110.776 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.7 p -133.2 -171.95 2.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.758 -0.656 . . . . 64.41 109.655 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.14 -28.16 29.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 71.13 109.804 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -97.49 -4.22 38.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.955 -1.02 . . . . 74.11 111.988 -175.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 p -76.12 115.84 16.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.98 0.419 . . . . 72.12 111.332 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -97.44 9.92 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 53.44 109.558 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.1 pt-20 -150.12 154.06 37.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 73.12 110.356 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD23 HD22 ' A' ' 27' ' ' LEU . 2.6 pt? -150.61 141.87 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.639 -0.504 . . . . 74.44 109.639 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.1 m -104.27 120.62 41.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.475 . . . . 73.14 110.549 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.17 55.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.91 -0.586 . . . . 72.04 110.464 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.561 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 23.9 tpp180 -93.09 114.92 27.58 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.353 -0.61 . . . . 72.42 109.353 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -109.43 126.01 53.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.795 0.331 . . . . 74.55 111.265 -177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' A' ' 8' ' ' ILE . 9.4 ptmt -112.33 131.01 55.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.256 -0.646 . . . . 73.55 109.256 171.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.48 169.48 8.83 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.195 -0.668 . . . . 64.51 109.195 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -49.6 67.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.68 -0.489 . . . . 74.33 109.68 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.14 163.42 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.031 -0.531 . . . . 71.33 110.442 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 19.5 m -68.5 -26.03 65.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.085 0.469 . . . . 73.12 111.189 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.06 79.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 74.34 111.01 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 71.2 110.605 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.717 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 11.9 ttpt -66.06 -50.24 64.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.161 -0.681 . . . . 72.02 109.161 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 68' ' ' SER . 87.4 mt -52.0 -49.96 62.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.513 -1.221 . . . . 72.42 111.747 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.24 -47.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 63.12 110.937 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.1 -51.01 70.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 73.55 110.454 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 9.9 mm-40 -60.27 -30.3 69.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 71.14 111.675 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.96 -39.97 65.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.977 0.417 . . . . 73.21 110.964 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -79.39 -29.16 41.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.132 -0.486 . . . . 75.41 111.7 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 p -69.54 -35.47 75.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.934 -0.307 . . . . 74.3 110.961 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.0 mmp_? -57.43 -44.4 84.66 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.17 0.51 . . . . 72.42 110.647 175.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -77.17 -19.96 56.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.666 -0.697 . . . . 64.42 111.403 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.445 -0.722 0 CA-C-N 116.252 -0.431 . . . . 65.21 110.281 179.61 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.76 0.314 . . . . 71.43 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.41 -49.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 74.02 109.889 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.32 130.54 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.762 -0.654 . . . . 73.13 110.079 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -76.31 174.69 9.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.784 -0.644 . . . . 73.22 111.161 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.15 163.16 26.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.791 -0.64 . . . . 72.42 110.714 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.17 172.46 45.16 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.264 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.57 -23.24 42.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 72.33 110.686 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.27 4.12 33.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 74.31 110.484 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.87 139.28 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.865 -0.607 . . . . 64.14 110.563 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.16 114.57 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.863 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 p30 -101.02 129.29 46.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 53.23 110.63 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.26 142.08 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 64.15 110.435 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 m -105.33 110.18 22.44 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.733 -0.667 . . . . 75.45 110.198 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 53.6 mt -99.73 143.37 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 62.05 109.391 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -141.35 143.57 34.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 64.35 111.602 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -169.87 163.26 9.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.205 -0.907 . . . . 53.04 109.463 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.29 -28.25 53.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.283 0.475 . . . . 75.51 112.283 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -115.49 147.68 40.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.623 0.249 . . . . 73.34 111.38 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -62.87 -36.05 82.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.32 0.581 . . . . 45.34 110.093 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.06 -43.8 82.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.958 . . . . 74.44 110.923 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.39 91.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 72.2 110.38 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 21' ' ' ALA . 6.5 mp -55.33 -53.56 54.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.381 -0.372 . . . . 71.41 110.431 175.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.757 -0.656 . . . . 74.23 111.823 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -65.15 -50.42 66.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.876 0.369 . . . . 74.54 110.917 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.97 -37.02 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 71.33 110.311 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.74 -50.92 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.567 -0.742 . . . . 64.33 110.329 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.54 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 72.15 111.406 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.97 -41.4 91.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.939 0.4 . . . . 74.14 110.794 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -41.89 98.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.699 . . . . 71.11 110.547 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.75 -41.19 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 75.43 110.773 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.76 -37.54 87.94 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.276 -0.42 . . . . 70.04 110.801 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -38.72 91.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 61.21 109.759 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.07 38.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 42.13 111.458 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 68.2 mttm -68.58 -21.32 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 65.12 111.807 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -70.72 -21.05 62.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 72.15 110.505 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.54 -52.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.606 -0.516 . . . . 72.22 109.606 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 37.0 t -122.18 100.95 7.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.665 -0.698 . . . . 74.31 109.185 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.02 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 73.42 111.46 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.77 39.66 3.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.956 -0.64 . . . . 72.54 112.763 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.59 127.52 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.083 0.468 . . . . 73.42 110.245 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.78 144.96 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.442 -0.577 . . . . 61.11 109.442 176.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.7 p90 -139.2 154.55 48.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.766 0.793 . . . . 74.35 112.017 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.51 166.62 15.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.216 -1.357 . . . . 53.13 108.342 168.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.94 142.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 116.056 -0.52 . . . . 74.14 110.177 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -69.66 163.57 25.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.067 -0.515 . . . . 75.31 110.074 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -92.97 132.59 36.94 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.67 -0.493 . . . . 75.3 109.67 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -88.18 120.56 29.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.707 -0.679 . . . . 62.15 111.042 -171.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -92.51 -164.54 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 64.54 111.344 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.06 -56.12 26.3 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.715 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -103.05 45.92 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 71.13 111.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -71.6 96.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.281 0.562 . . . . 63.23 109.82 172.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -106.84 16.76 23.99 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.307 -0.861 . . . . 70.14 108.927 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.3 pt-20 -167.02 154.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.525 -1.216 . . . . 71.34 109.755 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.445 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.06 150.55 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.727 -0.471 . . . . 65.21 109.727 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.7 m -108.87 118.03 35.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.029 0.442 . . . . 71.24 110.566 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.77 118.07 35.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 74.4 110.15 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 29.8 ttm180 -100.82 118.02 36.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.4 -0.364 . . . . 74.34 110.967 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.27 126.7 52.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.325 -0.398 . . . . 54.41 110.66 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -106.17 117.19 33.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.563 -0.532 . . . . 70.42 109.563 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.59 175.78 6.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.207 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.72 -43.98 24.55 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.485 -0.561 . . . . 65.42 109.485 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.98 155.5 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.688 -0.687 . . . . 75.32 109.98 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 15.9 m -65.57 -17.95 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 72.44 111.593 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.84 -38.33 86.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.07 -0.514 . . . . 65.44 110.379 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -66.38 -34.09 77.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 74.53 110.238 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 56.9 tttp -55.82 -59.94 4.17 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.633 -0.712 . . . . 70.24 109.686 174.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.8 mt -54.78 -47.89 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.485 -1.234 . . . . 74.11 111.558 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -57.81 -47.56 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.864 0.364 . . . . 63.32 111.058 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.033 0.444 . . . . 75.51 110.811 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 75.9 mt-10 -68.75 -28.73 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 74.3 110.883 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 49.2 mt -69.36 -43.26 73.98 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.866 0.365 . . . . 72.21 110.89 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.24 -41.18 77.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.162 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -68.63 -20.5 64.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 74.22 111.54 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 76' ' ' LEU . 9.9 mmm180 -59.05 -43.77 91.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.978 0.418 . . . . 54.32 110.807 174.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -77.63 -41.64 37.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.831 -0.622 . . . . 74.25 112.043 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 121.119 0.485 . . . . 74.12 110.43 -177.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 110.263 -0.273 . . . . 74.31 110.263 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.38 -50.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 71.34 110.417 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 64' ' ' LYS . 73.9 mt -80.14 120.42 31.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.719 0.771 . . . . 74.22 110.513 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' HG11 ' A' ' 14' ' ' VAL . 89.5 mttt -94.06 -178.11 4.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.831 -1.077 . . . . 63.44 110.007 -178.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.55 164.36 26.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.029 0.442 . . . . 73.5 111.844 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.7 162.96 30.45 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.038 -0.825 . . . . 62.44 111.038 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 71.34 110.426 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -114.82 9.86 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.994 -0.548 . . . . 63.24 110.521 176.244 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 9' ' ' LYS . 43.5 t -109.88 124.67 66.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.499 -0.319 . . . . 73.13 110.638 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -129.66 126.39 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.908 0.385 . . . . 72.24 111.074 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.642 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.6 p30 -101.84 145.0 29.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.39 176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.12 132.54 71.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.656 -0.702 . . . . 55.43 109.716 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 m -105.83 109.62 21.64 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.821 . . . . 73.53 108.797 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.443 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 33.0 mt -98.84 142.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.02 -0.537 . . . . 74.3 110.419 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -121.97 140.66 52.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.889 -0.596 . . . . 71.42 110.081 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.05 167.96 24.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.113 -0.494 . . . . 73.32 109.922 173.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.04 -40.53 62.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.615 0.245 . . . . 73.35 110.923 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.6 p -131.39 170.63 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.326 -0.397 . . . . 73.53 110.721 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.08 -43.01 99.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.53 -0.304 . . . . 72.22 110.937 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.28 -48.39 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.268 -0.424 . . . . 71.44 111.254 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.74 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.559 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HG ' HD21 ' A' ' 59' ' ' LEU . 6.9 tp -59.39 -49.99 75.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.824 -0.625 . . . . 74.12 110.169 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.0 -37.17 81.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 74.35 111.457 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.5 m -69.04 -44.86 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.035 0.445 . . . . 62.34 110.902 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.58 -46.84 86.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 62.32 110.577 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.79 -51.24 61.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.588 -0.733 . . . . 75.21 111.175 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 -31.41 63.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.271 -0.877 . . . . 37.47 111.7 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -74.82 -40.12 61.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.532 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.5 -33.1 70.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.375 -0.375 . . . . 71.3 110.899 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.513 HG23 ' HE2' ' A' ' 39' ' ' LYS . 70.4 mt -67.67 -35.86 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 71.23 110.047 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.18 -46.61 88.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.362 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.25 -37.97 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.803 -0.635 . . . . 63.54 110.175 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.16 -47.26 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 71.4 111.304 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' ' 35' ' ' ILE . 58.3 mtmt -69.28 -22.72 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 62.14 111.249 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -70.53 -23.39 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.334 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.82 -44.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.191 0.519 . . . . 52.12 110.475 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.656 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 5.0 p -138.98 126.03 21.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.008 -0.542 . . . . 61.03 110.646 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -24.69 25.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 65.31 110.299 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.39 49.79 1.03 Allowed Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.871 -0.604 . . . . 61.13 111.66 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.656 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 11.6 p -99.68 133.83 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.772 0.32 . . . . 73.42 110.521 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . 11.8 mp0 -97.64 135.88 38.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 63.21 109.366 172.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 33.6 p90 -142.33 150.92 41.4 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.117 0.484 . . . . 75.32 111.259 178.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.81 160.78 20.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.926 -0.768 . . . . 63.21 108.926 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.04 139.34 37.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.558 -0.746 . . . . 71.32 109.198 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.5 161.61 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.958 -0.386 . . . . 71.13 109.958 177.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.18 128.08 34.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 74.21 109.218 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.79 122.13 26.24 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.86 -0.422 . . . . 73.22 109.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 p -84.55 -167.02 1.63 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.783 -0.644 . . . . 72.41 110.071 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -81.5 -39.05 25.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.47 0.652 . . . . 73.3 109.261 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.672 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 66.5 mm-40 -107.09 33.99 3.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.944 -1.025 . . . . 74.41 111.318 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -70.31 102.15 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.049 0.452 . . . . 73.13 111.245 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.672 ' HZ2' ' HB3' ' A' ' 55' ' ' GLU . 3.9 mppt? -98.38 4.26 48.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.2 -0.667 . . . . 73.02 109.2 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -156.15 157.89 36.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.34 -0.846 . . . . 63.13 110.19 179.371 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD21 ' HG ' ' A' ' 27' ' ' LEU . 2.1 pt? -157.05 157.11 34.0 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.341 -0.614 . . . . 70.2 109.341 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -113.27 115.36 28.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.905 0.383 . . . . 74.51 110.705 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.82 117.19 30.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.014 -0.539 . . . . 71.41 109.769 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.642 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 34.6 ttm180 -108.74 123.03 48.37 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.782 -0.367 . . . . 72.15 111.37 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -107.57 125.22 51.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.51 -0.768 . . . . 73.54 109.68 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.533 ' HG2' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -104.73 123.61 47.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.51 0.672 . . . . 74.0 109.824 174.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 13' ' ' GLU . 87.1 m-85 -92.34 178.74 5.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.344 -0.844 . . . . 75.55 109.452 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.86 -40.29 11.84 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.755 0.312 . . . . 71.24 110.695 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 29.2 m -125.87 152.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.292 -0.413 . . . . 63.11 110.441 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -61.84 -23.74 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 73.02 111.826 -176.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.96 73.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 71.34 111.148 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 52.0 mt-10 -68.42 -32.76 73.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.031 -0.531 . . . . 72.34 110.874 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 36.3 ttmt -61.05 -57.07 14.14 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.263 0.554 . . . . 71.31 109.931 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -50.13 -44.13 52.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.391 -1.277 . . . . 71.41 111.581 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.52 -52.69 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.524 -0.307 . . . . 73.13 110.856 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.32 -49.81 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.621 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.9 -37.81 74.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 62.34 111.267 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.79 -39.41 76.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.801 0.334 . . . . 74.22 111.185 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.09 -39.75 71.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 72.51 111.092 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.4 p -65.14 -40.83 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 63.4 110.821 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -59.99 -44.59 94.41 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.488 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 m -73.59 -22.47 60.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.118 -0.492 . . . . 74.23 111.433 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 N--CA 1.446 -0.632 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.445 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.057 -0.349 . . . . 75.01 110.057 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.97 -41.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.399 0.619 . . . . 55.14 109.639 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.596 HD11 ' HG2' ' A' ' 64' ' ' LYS . 95.1 mt -92.21 126.85 44.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.321 -0.854 . . . . 63.45 110.693 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 14' ' ' VAL . 20.5 pttm -93.37 166.15 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.738 -0.665 . . . . 73.41 110.929 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.37 165.85 7.15 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.868 0.73 . . . . 75.13 111.819 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.22 -160.04 27.61 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.532 -0.627 . . . . 73.34 111.532 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.6 ' HB3' ' HG ' ' A' ' 68' ' ' SER . 2.4 m-20 -90.34 -27.72 19.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.418 0.628 . . . . 73.34 109.942 178.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.48 3.08 45.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.164 -0.926 . . . . 72.03 109.914 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 9' ' ' LYS . 57.4 t -107.98 142.35 20.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.55 -0.75 . . . . 73.33 110.999 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . . . -161.46 116.55 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 75.22 109.883 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.703 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.2 p30 -90.54 143.48 26.7 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.231 0.538 . . . . 75.14 110.063 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -113.98 125.14 71.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 115.192 -0.913 . . . . 75.24 109.513 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 m -98.53 111.36 23.75 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.844 -1.071 . . . . 74.43 108.816 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 15.8 mt -98.17 136.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.607 -0.516 . . . . 73.13 109.607 -176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 7.2 p90 -135.89 135.92 40.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.789 -0.641 . . . . 72.44 110.749 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -163.02 -179.45 6.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 60.44 109.981 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -94.87 -15.88 23.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.607 0.595 . . . . 74.35 112.607 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -133.94 156.21 48.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.103 0.477 . . . . 62.42 111.695 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 25.0 ttpp -65.2 -41.76 94.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 71.2 110.128 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.95 -35.97 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 74.22 110.898 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.22 -46.31 70.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.41 -0.359 . . . . 74.31 110.424 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 21' ' ' ALA . 8.3 mp -54.24 -50.41 67.24 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.394 0.434 . . . . 71.54 110.692 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.07 -45.58 83.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.048 -0.524 . . . . 64.34 111.233 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 48.8 m -66.89 -46.7 74.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 36.42 111.293 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 29.5 mm-40 -64.6 -43.56 93.41 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.614 -0.266 . . . . 71.33 111.202 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.33 -49.32 72.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 73.43 110.175 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.02 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.053 -0.976 . . . . 36.42 111.231 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 29' ' ' SER . 75.8 mmtt -65.15 -37.43 87.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.712 -0.222 . . . . 74.03 111.441 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -69.29 -39.61 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.625 -0.261 . . . . 74.44 110.645 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.06 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 73.43 109.839 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.56 -45.52 88.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.794 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.96 -32.26 73.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 75.32 110.8 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.33 -49.09 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 62.31 110.756 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.49 -29.24 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.13 111.016 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -67.5 -27.08 66.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.561 . . . . 55.13 110.101 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.66 -49.75 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.948 -0.569 . . . . 72.4 111.19 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 t -139.43 133.07 30.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.06 0.457 . . . . 75.43 110.63 -171.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.11 -22.83 22.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.83 -0.623 . . . . 63.11 110.861 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.25 28.07 10.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.933 -0.651 . . . . 70.41 112.024 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -79.42 125.12 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.563 0.697 . . . . 71.23 111.008 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -108.75 145.06 35.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.386 -0.824 . . . . 62.32 109.142 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 49.4 p90 -144.49 152.13 40.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.749 0.785 . . . . 73.45 112.807 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.3 167.27 12.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.31 -1.313 . . . . 63.25 107.513 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.59 149.15 3.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 120.559 -0.457 . . . . 75.12 111.137 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -77.91 170.01 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 54.31 110.137 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 135.49 35.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.36 -0.608 . . . . 72.04 109.36 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.45 114.53 28.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.262 0.553 . . . . 61.44 111.227 -175.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.0 p -122.27 176.8 5.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.679 . . . . 74.3 109.407 174.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.33 -19.31 58.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.33 . . . . 74.42 111.582 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.39 -12.84 48.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 62.12 110.277 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.1 m -87.9 101.17 13.47 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.287 -0.635 . . . . 72.24 109.287 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 14.4 mmmm -76.67 -9.22 58.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 71.53 110.163 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 8.8 pt-20 -146.45 146.72 30.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.703 -0.68 . . . . 71.02 110.864 -177.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -133.45 140.55 47.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.23 -0.656 . . . . 74.45 109.23 170.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 m -103.56 112.82 25.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.725 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.44 111.68 24.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.252 -0.431 . . . . 73.34 109.935 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.703 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 21.1 tpp85 -90.5 113.85 25.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 75.32 109.88 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -106.94 140.48 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 53.33 110.788 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -125.38 141.25 52.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.306 -0.628 . . . . 75.1 109.306 168.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.488 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 96.8 m-85 -110.77 -178.75 3.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.364 -0.606 . . . . 75.41 109.364 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.15 -49.35 19.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.102 0.477 . . . . 73.25 110.668 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.07 170.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.999 -0.546 . . . . 72.01 110.674 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.6 ' HG ' ' HB3' ' A' ' 12' ' ' ASP . 6.6 m -66.07 -28.17 68.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.041 0.448 . . . . 74.55 111.444 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.95 97.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 72.25 111.06 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 3.2 mm-40 -59.1 -42.33 90.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.455 0.645 . . . . 75.42 109.593 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 1.9 tmmm? -61.65 -52.27 65.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 74.42 110.032 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.14 -47.31 78.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.246 -0.888 . . . . 73.3 111.715 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 HG22 ' HZ1' ' A' ' 77' ' ' LYS . 71.9 mt -63.42 -34.52 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.968 0.414 . . . . 75.15 111.308 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.98 -48.01 64.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.195 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 55.2 mm-40 -66.94 -30.65 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.511 . . . . 54.15 111.765 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 73' ' ' ILE . 37.8 mt -59.83 -37.66 79.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.214 0.531 . . . . 65.31 110.288 174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HZ1' HG22 ' A' ' 73' ' ' ILE . 58.2 mttp -72.65 -46.49 53.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.293 -0.867 . . . . 74.25 110.971 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.622 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 11.5 p -66.3 -36.81 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.592 0.59 . . . . 70.21 112.592 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.2 mtm180 -54.66 -50.63 67.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 111.993 0.368 . . . . 74.15 111.993 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -87.29 -12.83 45.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 73.15 110.737 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 121.085 0.469 . . . . 73.5 109.836 177.547 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.059 -0.348 . . . . 74.34 110.059 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.04 -40.63 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.518 . . . . 63.11 109.82 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.604 HG23 ' HB2' ' A' ' 64' ' ' LYS . 83.2 mt -98.83 124.13 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.569 -0.742 . . . . 70.22 110.429 176.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -100.67 -176.51 3.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.737 . . . . 70.02 109.711 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HG2' HH12 ' A' ' 62' ' ' ARG . 3.3 mm-40 -70.79 168.63 16.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.879 0.847 . . . . 64.23 112.656 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.33 -164.69 32.98 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.613 -1.176 . . . . 61.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.433 ' O ' ' HE2' ' A' ' 71' ' ' LYS . 6.5 t70 -91.19 -19.78 22.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.213 0.53 . . . . 72.2 110.205 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.63 5.52 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.597 -0.729 . . . . 63.15 111.002 178.379 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 64' ' ' LYS . 47.0 t -106.21 141.29 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.611 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' A' ' 71' ' ' LYS . . . -131.5 152.86 50.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.027 -0.361 . . . . 44.51 110.027 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.59 138.27 54.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.076 0.465 . . . . 64.32 110.541 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.01 135.28 55.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.534 -0.757 . . . . 54.14 109.943 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 m -133.79 116.47 15.74 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.836 -0.62 . . . . 74.21 109.983 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.662 ' HB ' HD23 ' A' ' 59' ' ' LEU . 14.2 mt -100.33 139.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 74.1 109.812 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.628 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 37.5 m-85 -119.66 132.5 55.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 75.51 109.906 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -167.34 159.23 12.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.502 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.38 -51.57 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.308 0.484 . . . . 70.12 112.308 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -102.78 143.46 32.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.408 0.522 . . . . 62.41 112.408 -170.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' A' ' 52' ' ' LEU . 55.4 tttm -54.26 -36.7 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.944 -1.026 . . . . 62.31 110.718 176.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.43 -46.89 83.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.508 -0.769 . . . . 71.43 111.091 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 64.34 110.684 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.8 ' HG ' HD22 ' A' ' 59' ' ' LEU . 10.2 mp -58.07 -54.66 44.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.296 174.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.74 -40.08 93.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 71.5 112.145 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.7 m -67.13 -46.46 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.716 0.294 . . . . 72.44 111.628 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 19' ' ' ILE . 1.1 tp10 -70.89 -36.8 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 72.34 110.104 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 61' ' ' ALA . 24.5 tp -58.14 -46.93 84.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.902 -0.59 . . . . 54.42 110.505 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.229 -0.896 . . . . 71.41 111.467 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.49 -34.3 75.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.411 -0.359 . . . . 70.11 111.111 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 52.3 m-85 -75.41 -37.94 60.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 71.31 110.64 177.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.44 -38.79 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.63 -0.507 . . . . 61.23 109.63 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -63.16 -44.96 94.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.483 -0.78 . . . . 73.23 110.791 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.36 -41.42 89.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 51.12 109.797 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.4 -51.91 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.695 -0.684 . . . . 70.32 111.099 -174.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 49.3 mtmt -64.28 -30.81 71.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 72.13 111.151 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -66.6 -34.97 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.884 0.374 . . . . 64.4 110.328 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.15 -48.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 75.05 110.796 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.56 ' SG ' ' HG3' ' A' ' 66' ' ' GLU . 45.4 t -136.52 125.96 25.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.286 -0.416 . . . . 60.21 110.316 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.75 -20.16 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.007 0.432 . . . . 74.12 110.692 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.33 26.97 19.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.838 -0.696 . . . . 43.1 111.836 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 126.65 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.431 0.634 . . . . 71.21 110.939 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.18 116.9 33.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.762 -0.829 . . . . 71.44 108.762 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.3 p90 -131.16 149.98 52.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.653 0.739 . . . . 74.43 112.726 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.14 162.26 18.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.68 -1.145 . . . . 74.43 108.42 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.53 137.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -71.2 177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 65.33 111.065 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -82.62 129.19 34.9 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.024 -0.535 . . . . 54.11 111.423 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 85.3 mt -93.45 114.28 26.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.467 -0.788 . . . . 73.03 109.669 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.9 p -131.71 -177.6 4.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.353 -0.385 . . . . 60.13 110.479 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.26 -20.0 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.409 0.623 . . . . 63.41 109.897 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.18 -24.9 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.458 -0.792 . . . . 74.15 111.401 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.6 p -79.37 117.11 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.057 0.456 . . . . 74.21 111.934 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -108.59 3.29 22.78 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.196 -1.039 . . . . 51.54 108.196 168.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.628 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 10.9 mt-10 -133.97 134.34 42.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.121 -1.4 . . . . 74.34 108.56 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.8 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -133.74 144.78 49.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.313 -0.555 . . . . 73.23 110.13 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.1 m -114.84 127.72 55.88 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.712 -0.676 . . . . 71.44 110.808 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -112.76 113.23 25.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.618 -0.719 . . . . 73.31 109.417 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.592 HH12 ' HG2' ' A' ' 10' ' ' GLU . 2.6 tpp180 -93.07 114.68 27.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.719 -0.673 . . . . 74.22 109.425 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -111.62 121.08 44.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.816 0.341 . . . . 75.33 111.211 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.604 ' HB2' HG23 ' A' ' 8' ' ' ILE . 49.9 tttm -113.9 123.74 50.49 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.712 -0.477 . . . . 72.43 109.712 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -95.27 -172.13 2.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.325 -0.398 . . . . 74.35 110.426 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.56 ' HG3' ' SG ' ' A' ' 42' ' ' CYS . 38.3 mt-10 -90.66 -42.51 10.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.981 0.42 . . . . 70.32 110.437 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.7 m -124.53 156.87 32.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 70.42 110.165 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 4.4 p -62.32 -28.99 70.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.355 0.502 . . . . 61.31 112.355 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.52 -33.89 73.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.797 -0.638 . . . . 71.22 111.335 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 54.7 mt-10 -67.84 -28.93 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 55.52 111.271 -176.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HG2' ' HB1' ' A' ' 15' ' ' ALA . 1.6 tmmm? -62.0 -54.06 46.9 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.535 0.683 . . . . 75.41 109.374 175.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -55.58 -45.89 77.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.295 -1.32 . . . . 73.43 111.39 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -59.84 -43.36 91.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.943 0.401 . . . . 74.05 111.204 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -66.46 -50.06 64.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.459 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 21.3 mm-40 -58.98 -40.93 86.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 64.43 111.394 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.72 -47.38 82.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 73.03 111.113 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.53 -36.77 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.975 -0.557 . . . . 63.32 110.914 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 m -63.68 -32.59 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.046 -0.525 . . . . 65.23 111.243 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 13.4 mmp_? -58.12 -43.75 87.39 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.782 0.325 . . . . 73.3 110.929 176.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m -83.51 -38.31 21.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.944 -0.571 . . . . 72.4 111.799 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 74.43 110.886 -177.528 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.107 -0.331 . . . . 74.43 110.107 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.99 -49.83 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 71.34 110.612 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.0 mt -94.13 139.18 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 64.3 111.019 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.94 -167.94 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.605 -0.725 . . . . 52.22 110.466 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.92 177.92 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.199 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.93 177.67 35.18 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 120.815 -0.707 . . . . 54.15 111.827 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -77.22 -22.39 52.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.464 0.649 . . . . 55.41 110.032 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 mt-10 -103.13 13.66 33.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 72.3 110.16 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -118.24 138.86 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.616 -0.72 . . . . 73.31 109.547 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -123.07 127.8 49.25 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.376 -0.231 . . . . 72.13 110.376 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.46 121.66 30.18 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.973 -0.751 . . . . 61.3 108.973 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.14 139.35 52.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 115.593 -0.73 . . . . 60.32 109.75 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -134.61 119.08 17.93 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.564 -0.743 . . . . 65.42 109.09 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.64 ' HB ' HD21 ' A' ' 59' ' ' LEU . 23.1 mt -97.75 140.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.862 -0.422 . . . . 72.23 109.862 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -117.96 137.61 52.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 75.51 110.116 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -165.11 161.14 19.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.146 -0.934 . . . . 74.42 109.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.06 -42.14 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.782 -0.367 . . . . 61.12 111.284 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -110.06 149.21 30.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 75.03 111.241 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -58.78 -35.72 73.25 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.006 0.432 . . . . 63.2 110.456 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.07 -45.04 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 74.2 110.369 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.86 84.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 72.3 110.708 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 21' ' ' ALA . 7.0 mp -58.81 -51.52 69.64 Favored 'General case' 0 C--N 1.335 -0.046 0 CA-C-O 121.058 0.456 . . . . 74.23 109.974 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.36 -45.97 90.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.491 -0.777 . . . . 74.0 111.81 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -60.76 -48.5 81.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.487 -0.324 . . . . 51.1 111.208 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 18.2 tt0 -69.86 -41.2 75.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.539 -0.3 . . . . 73.42 110.229 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.41 -48.78 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 74.44 110.255 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.75 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.164 -0.925 . . . . 63.21 111.378 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.07 -33.86 68.25 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.651 -0.25 . . . . 75.33 111.449 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.3 m-85 -68.08 -42.13 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.794 -0.447 . . . . 75.33 109.794 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.2 -40.94 90.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.213 -0.449 . . . . 75.14 110.098 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -57.55 -50.66 72.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.606 -0.725 . . . . 71.41 110.113 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD22 ' HG2' ' A' ' 77' ' ' LYS . 1.2 tt -60.26 -37.86 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.487 -0.779 . . . . 72.31 110.127 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.86 63.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 71.34 110.985 -175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 64.3 mttm -69.02 -22.2 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 64.44 111.317 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 m -69.62 -29.54 67.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.834 0.35 . . . . 52.32 110.46 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.9 t -87.73 -51.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.061 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 42.5 t -139.13 124.6 19.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.897 -0.592 . . . . 72.2 110.417 -177.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.48 45.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.09 -0.505 . . . . 65.45 110.865 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 29.17 11.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.264 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.09 128.47 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.198 0.523 . . . . 74.5 110.738 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -99.0 125.71 44.53 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.254 -0.647 . . . . 73.55 109.254 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.2 p90 -136.43 154.89 50.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.602 0.715 . . . . 73.45 111.598 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 14.0 m120 -122.57 167.65 13.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.534 -1.212 . . . . 74.21 108.086 172.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 60' ' ' THR . 13.6 p -156.15 146.14 12.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.112 -0.235 . . . . 72.12 110.414 -178.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.7 p -75.84 -166.62 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 65.52 110.696 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -92.47 132.33 36.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.116 0.484 . . . . 63.1 110.741 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.76 118.4 28.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.717 -0.845 . . . . 74.23 108.717 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 p -130.05 -170.05 2.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.57 . . . . 74.24 111.616 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.51 -32.55 66.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.392 -0.822 . . . . 73.23 111.342 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -102.9 -0.86 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.684 -0.689 . . . . 75.23 112.371 -173.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -74.84 103.89 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.249 0.547 . . . . 72.51 111.457 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -90.86 -8.17 50.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.488 -0.93 . . . . 73.54 108.488 170.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -143.29 138.64 29.7 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.607 -1.178 . . . . 64.43 110.329 -177.672 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -130.25 140.03 50.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.147 -0.479 . . . . 70.01 109.986 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.495 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 24.4 m -99.96 124.73 45.62 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.667 -0.697 . . . . 74.21 110.506 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -139.23 113.25 8.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.658 -0.497 . . . . 71.11 109.658 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.9 ptp180 -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.523 -0.471 . . . . 75.45 110.387 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -107.82 116.44 31.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.731 -0.668 . . . . 74.21 110.698 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -107.25 131.8 53.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.718 -0.674 . . . . 75.31 109.515 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -107.38 174.28 5.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.695 0.283 . . . . 64.13 110.871 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.34 -39.79 24.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.298 -0.41 . . . . 75.23 110.801 -174.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -122.61 156.47 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 71.11 110.393 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.3 m -64.47 -25.87 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.986 -0.552 . . . . 70.01 111.744 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.8 88.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 54.05 111.125 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 55.0 mt-10 -63.91 -31.27 72.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.065 0.459 . . . . 61.44 110.551 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.553 ' HD3' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -66.33 -46.73 75.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 71.33 110.553 178.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.53 -37.7 84.71 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.118 -0.492 . . . . 75.51 110.819 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.406 ' O ' ' HD3' ' A' ' 77' ' ' LYS . 83.2 mt -64.83 -47.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.836 -0.62 . . . . 71.3 110.732 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.76 -42.03 99.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.532 -0.304 . . . . 62.25 110.519 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 56.8 mm-40 -53.2 -53.34 52.06 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.347 0.594 . . . . 60.13 110.109 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 76' ' ' LEU . 14.7 mt -64.91 -41.07 95.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.531 -0.759 . . . . 50.15 111.986 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HG2' HD22 ' A' ' 37' ' ' LEU . 5.6 mptp? -63.56 -50.82 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 73.52 111.33 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -64.22 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.657 -0.247 . . . . 75.33 111.619 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 95.1 mtt180 -59.94 -43.15 95.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.207 0.527 . . . . 74.02 111.006 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -78.7 -16.39 57.32 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.883 -0.599 . . . . 74.35 111.394 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 37' ' ' LEU . 11.4 tp . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.222 0.534 . . . . 74.33 109.884 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.757 0.313 . . . . 52.32 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.67 -159.26 24.75 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.591 -0.814 . . . . 61.44 111.492 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.96 129.74 38.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.324 -0.621 . . . . 72.51 109.324 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mm -118.61 162.09 17.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.038 -0.528 . . . . 64.23 109.845 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.16 62.05 4.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.345 -0.455 . . . . 73.42 112.744 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -124.25 161.68 25.29 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.761 -0.459 . . . . 73.3 109.761 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.567 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 62.4 mt -78.05 -66.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.162 -0.681 . . . . 71.14 109.162 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.54 134.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 72.35 109.726 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -102.6 -163.79 1.03 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.756 -0.656 . . . . 72.42 109.853 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.54 163.88 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.889 0.376 . . . . 71.01 110.318 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.48 -168.91 32.94 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.506 -0.854 . . . . 51.41 111.985 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.47 -27.16 16.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.147 0.499 . . . . 71.42 109.918 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 17.41 11.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 71.52 110.804 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.2 t -105.51 125.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 71.43 110.417 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -134.35 125.57 27.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.525 0.202 . . . . 64.52 110.674 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 1.021 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 2.8 p30 -108.18 145.97 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.443 0.639 . . . . 71.33 111.896 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 134.86 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.993 -1.003 . . . . 73.34 109.096 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -110.82 110.64 21.34 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.547 -0.751 . . . . 74.43 109.831 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.67 144.95 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.441 -174.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -125.07 137.01 54.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.288 -0.415 . . . . 74.21 110.003 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.58 167.79 9.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.356 0.41 . . . . 62.12 110.594 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.75 -45.06 93.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.229 0.455 . . . . 75.34 112.229 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 p -124.3 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.096 0.474 . . . . 71.12 111.939 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.744 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 28.3 ttpp -65.16 -36.83 85.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.385 -0.825 . . . . 65.31 109.215 175.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.66 -46.71 67.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 75.34 111.294 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.06 88.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.474 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' A' ' 24' ' ' LYS . 95.3 mt -57.27 -46.49 83.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.803 -0.635 . . . . 64.15 110.756 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.45 -37.75 88.48 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.064 -0.517 . . . . 63.21 111.434 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.1 m -62.2 -43.78 98.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.063 0.459 . . . . 74.4 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -43.81 62.37 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.937 -0.574 . . . . 65.4 110.789 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD13 ' HB3' ' A' ' 61' ' ' ALA . 17.8 tp -57.47 -42.15 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 74.4 110.804 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.27 66.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 70.01 111.129 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 58.2 mmtt -76.07 -29.17 57.87 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.249 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.78 -41.66 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.961 -0.385 . . . . 75.02 109.961 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 31' ' ' LEU . 66.6 mt -61.65 -37.92 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.505 0.669 . . . . 73.33 109.975 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.05 -46.38 89.42 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.263 -0.88 . . . . 74.44 110.558 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD13 HD23 ' A' ' 81' ' ' LEU . 1.2 tt -63.26 -37.13 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.83 -0.623 . . . . 74.34 109.853 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.91 82.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 70.02 110.824 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.57 -24.2 67.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.184 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 -29.33 61.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 54.41 110.299 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.75 -45.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 63.21 110.466 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 t -147.08 109.16 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 75.13 110.292 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.78 -28.87 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.393 . . . . 64.44 110.849 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.13 24.35 13.85 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.939 -0.573 . . . . 52.13 112.527 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 63' ' ' PHE . 14.0 p -70.23 138.48 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.771 0.319 . . . . 65.31 110.539 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -114.32 133.7 55.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.965 -0.754 . . . . 71.43 108.965 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.1 p90 -140.78 149.04 41.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.111 0.481 . . . . 71.12 112.287 -174.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.567 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 14.5 m120 -124.11 167.21 14.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.253 -0.885 . . . . 75.53 109.109 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.44 153.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.203 -0.666 . . . . 73.52 109.203 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 m -62.97 174.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.766 0.317 . . . . 65.11 110.405 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -67.06 118.5 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.703 0.763 . . . . 74.43 110.254 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.744 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 94.8 mt -93.71 118.9 32.01 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.238 -0.892 . . . . 73.05 110.536 -175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -139.18 -170.58 2.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.727 -0.67 . . . . 71.15 109.937 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.74 -22.22 56.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.876 0.369 . . . . 74.13 110.083 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -103.2 12.59 35.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.668 0.618 . . . . 72.32 112.668 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -89.61 98.25 11.66 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.328 -0.549 . . . . 63.32 110.263 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 3.7 mppt? -94.46 3.54 55.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.352 -0.981 . . . . 70.52 108.352 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -145.26 139.59 27.23 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.5 -1.227 . . . . 73.25 108.95 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.431 HD22 HD13 ' A' ' 27' ' ' LEU . 1.9 pt? -145.37 148.62 33.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.044 0.45 . . . . 75.54 110.405 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -121.79 106.04 10.92 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.641 -0.709 . . . . 70.32 110.04 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' ' 31' ' ' LEU . . . -110.58 123.37 49.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.27 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 1.021 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -110.82 127.89 55.56 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.297 0.57 . . . . 75.41 111.951 -177.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.41 ' HB3' HG21 ' A' ' 45' ' ' VAL . 58.8 m-85 -102.98 119.54 39.03 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.56 -1.2 . . . . 73.43 109.061 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.43 137.93 38.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.33 -0.619 . . . . 64.33 109.33 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -109.88 -172.68 2.09 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.466 -0.788 . . . . 71.01 110.082 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.03 -37.79 21.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.077 0.465 . . . . 75.34 110.234 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.9 m -131.39 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.013 -0.539 . . . . 75.45 110.555 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.1 m -66.18 -20.16 66.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 74.21 111.332 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -65.31 -39.21 92.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 64.54 110.55 177.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 62.1 mt-10 -65.75 -33.81 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 74.43 110.633 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.44 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 26.0 ttpp -59.22 -56.05 27.13 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.769 -0.65 . . . . 74.11 109.539 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -54.04 -45.19 71.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.402 -1.272 . . . . 73.02 111.336 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 69' ' ' ALA . 89.3 mt -59.32 -45.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 71.3 110.813 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.49 -42.14 98.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 75.25 110.374 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 46.2 mt-10 -64.05 -40.69 96.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.694 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -44.55 89.2 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.504 -0.316 . . . . 65.34 111.506 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.37 -40.0 81.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.604 -0.271 . . . . 61.12 111.625 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 10.7 p -65.5 -21.84 66.66 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 121.046 -0.262 . . . . 61.12 111.565 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 83' ' ' ARG . 29.4 mmt180 -60.52 -43.89 96.64 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.742 0.306 . . . . 72.25 111.382 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -80.86 -13.36 59.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.897 0.38 . . . . 73.4 111.731 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD23 HD13 ' A' ' 37' ' ' LEU . 11.7 tp -94.38 -39.4 10.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.282 -0.417 . . . . 74.43 111.049 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.14 17.53 9.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.278 0.473 . . . . 64.31 112.278 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 79' ' ' ARG . 38.1 mtm180 -94.81 -179.8 4.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.11 -0.7 . . . . 71.2 109.11 172.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt 54.11 80.11 0.12 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.552 0.532 . . . . 72.32 109.733 -172.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.3 134.49 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.325 -0.852 . . . . 73.42 110.163 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -118.89 8.0 11.63 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.253 -0.885 . . . . 74.44 111.701 -167.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -86.75 95.68 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.394 -0.965 . . . . 75.45 108.394 170.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 90' ' ' HIS . 0.4 OUTLIER -142.51 21.88 2.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.44 -0.8 . . . . 70.15 109.32 -172.32 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 74.17 -25.93 0.19 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.847 -1.069 . . . . 71.32 111.625 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.401 ' H ' ' C ' ' A' ' 88' ' ' HIS . 37.9 m80 -70.73 -20.95 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.744 -1.206 . . . . 53.31 107.744 166.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 C--O 1.244 0.782 0 CA-C-N 113.831 -1.531 . . . . 70.12 107.029 171.677 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.942 0.401 . . . . 70.43 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.08 81.17 0.3 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.206 -1.158 . . . . 43.52 110.206 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.35 96.9 1.93 Allowed 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.786 0.803 . . . . 64.24 113.081 -170.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.2 mt -85.66 169.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 107.429 -1.323 . . . . 74.42 107.429 169.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.74 53.98 0.35 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 113.906 0.322 . . . . 74.0 113.906 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' HZ ' ' HG ' ' A' ' 50' ' ' SER . 65.9 m-85 -124.44 168.14 13.45 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.185 -0.672 . . . . 74.4 109.185 174.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 39.4 mm -79.38 -58.3 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.849 0.356 . . . . 71.13 110.704 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.62 137.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.33 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 24.8 pttt -106.22 -169.7 1.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 64.33 110.67 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -67.82 163.34 22.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.471 -0.331 . . . . 73.2 111.3 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.74 172.26 39.62 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.441 -0.664 . . . . 75.12 111.441 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -76.86 -27.89 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 43.41 111.214 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.12 4.14 46.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.024 -0.535 . . . . 63.12 110.59 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.38 120.46 58.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.991 -0.549 . . . . 60.31 110.455 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.815 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -113.75 104.59 12.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.179 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.984 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 4.8 p-10 -96.19 128.78 43.41 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 121.511 0.672 . . . . 74.04 110.159 174.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.05 133.47 60.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 114.727 -1.124 . . . . 63.12 109.511 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.6 m -97.91 113.48 25.32 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.465 -0.939 . . . . 65.35 108.465 174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 20.0 mt -96.11 136.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.348 -0.612 . . . . 74.41 109.348 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.05 127.57 55.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.57 -0.741 . . . . 74.44 109.94 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.83 179.45 6.23 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.529 -0.759 . . . . 51.23 109.817 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -74.19 -42.42 59.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.873 0.368 . . . . 72.21 110.519 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.3 p -137.25 171.18 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.389 -0.369 . . . . 71.14 111.535 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.597 ' HG2' HD11 ' A' ' 52' ' ' LEU . 2.2 tmpt? -57.32 -42.04 81.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.516 -0.766 . . . . 74.54 110.292 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.12 -46.94 81.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 75.14 111.323 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.42 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 64.44 110.171 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.517 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.3 tp -59.03 -46.94 86.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.69 -0.686 . . . . 73.4 110.269 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.27 -41.66 89.39 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.76 -0.655 . . . . 74.2 111.613 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.6 t -59.51 -52.3 66.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.119 0.485 . . . . 63.2 110.45 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.45 -41.61 98.64 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.583 -0.735 . . . . 73.21 111.108 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 35' ' ' ILE . 24.9 tp -59.03 -48.52 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.08 -38.3 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.742 . . . . 53.4 111.265 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 29' ' ' SER . 94.5 mttt -64.7 -41.97 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 70.12 111.073 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -71.03 -34.27 71.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.454 . . . . 71.11 110.746 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -64.62 -41.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.132 0.492 . . . . 55.52 110.095 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.02 -42.78 94.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.84 -0.618 . . . . 64.14 110.616 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.7 -38.57 85.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 71.31 109.996 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.14 89.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.836 -0.62 . . . . 52.31 110.863 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.6 -21.98 65.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 41.53 111.283 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -76.71 -19.92 57.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.393 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.72 -50.23 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.998 0.427 . . . . 72.24 110.737 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.49 ' CB ' ' HD1' ' A' ' 65' ' ' PHE . 52.1 t -131.04 121.04 24.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.832 -0.622 . . . . 63.4 110.203 -173.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.9 -39.93 41.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 54.42 110.924 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.78 34.22 4.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.102 -0.57 . . . . 75.53 112.6 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.11 126.68 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.436 0.636 . . . . 74.14 111.145 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -110.35 127.04 54.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.957 -0.757 . . . . 74.3 108.957 175.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 38.1 p90 -137.78 153.77 49.64 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.346 -0.542 . . . . 73.14 112.208 -170.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 13.2 m120 -124.78 167.18 14.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.01 -0.995 . . . . 70.22 108.581 170.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 60' ' ' THR . 8.3 p -161.77 145.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.277 -0.42 . . . . 64.1 110.502 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.45 ' HG ' ' HZ ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -61.45 152.99 28.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.566 -0.531 . . . . 73.32 109.566 174.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -81.0 124.89 29.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.43 0.634 . . . . 64.11 109.67 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.597 HD11 ' HG2' ' A' ' 24' ' ' LYS . 2.3 pt? -93.45 115.31 27.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.4 -0.818 . . . . 74.14 110.174 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.82 -172.29 2.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 75.33 109.436 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -59.02 -36.05 74.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.024 0.44 . . . . 73.25 111.563 -176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.28 2.49 55.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 71.42 112.153 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 m -91.87 102.82 15.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.06 0.457 . . . . 74.31 111.064 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 10.52 40.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.482 0.658 . . . . 73.12 109.652 173.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -147.73 154.34 40.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.9 -1.045 . . . . 72.42 109.463 174.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt? -154.41 148.54 25.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.157 -0.312 . . . . 73.43 110.157 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 62.8 m -106.05 110.74 23.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.765 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.59 126.47 54.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.605 . . . . 55.13 110.33 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.984 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -116.48 118.66 33.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.163 0.506 . . . . 75.35 111.333 177.244 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 36.0 m-85 -97.68 119.3 36.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.021 -0.99 . . . . 72.34 109.388 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -92.22 114.97 27.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.389 -0.597 . . . . 71.44 109.389 172.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.49 ' HD1' ' CB ' ' A' ' 42' ' ' CYS . 63.1 m-85 -90.33 179.49 5.87 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.663 -0.699 . . . . 72.22 109.929 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.5 -58.95 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.48 0.657 . . . . 61.43 109.912 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.41 -174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.217 -0.901 . . . . 73.11 110.073 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 m -65.77 -30.71 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.411 . . . . 53.44 111.093 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.92 -49.07 78.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.531 -0.759 . . . . 64.54 111.424 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.483 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 4.7 mm-40 -61.83 -37.56 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 74.54 110.156 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.815 ' HD3' ' HB1' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -62.98 -49.3 75.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 74.45 110.224 -178.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.3 mt -62.05 -44.82 95.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 75.55 111.281 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.99 -42.23 88.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.936 0.398 . . . . 70.51 110.962 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.24 -47.69 84.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 74.34 110.319 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 30.8 mt-10 -62.62 -38.33 89.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 72.45 111.236 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 80.4 mt -59.44 -43.39 93.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.997 0.427 . . . . 70.2 110.869 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.47 -42.94 77.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 70.42 111.015 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 32.6 p -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.023 -0.271 . . . . 71.13 111.619 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -58.81 -43.83 90.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.068 0.461 . . . . 71.01 111.098 176.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.5 m -78.76 -17.3 56.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.893 -0.594 . . . . 73.01 111.453 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp -92.45 -39.02 11.65 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.413 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.35 15.94 11.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.633 0.73 . . . . 72.55 110.035 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -67.87 150.64 48.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.562 -1.199 . . . . 70.55 109.689 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.03 26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.275 0.472 . . . . 71.33 112.275 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -154.14 154.67 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.55 0.691 . . . . 75.11 111.578 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.82 -19.31 12.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.624 -1.171 . . . . 75.21 109.766 173.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -169.98 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.962 -1.017 . . . . 72.32 108.296 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -166.43 128.68 1.85 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.545 -1.279 . . . . 75.53 107.545 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -109.35 -24.85 10.86 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.922 0.392 . . . . 64.15 110.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -78.73 125.79 29.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.545 . . . . 74.14 110.682 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.275 -0.869 . . . . 73.15 109.824 175.795 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.654 0.264 . . . . 63.33 110.387 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.86 137.24 20.43 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.036 -0.602 . . . . 75.22 112.273 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -91.51 148.93 21.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.975 -0.38 . . . . 75.11 109.975 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.19 154.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.929 0.395 . . . . 64.14 110.03 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.6 -46.2 5.83 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.85 -0.613 . . . . 71.21 112.942 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 55.47 -173.41 0.06 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.169 0.587 . . . . 72.55 111.347 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.62 -47.2 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.15 -0.685 . . . . 75.04 109.15 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 69.0 mt -94.98 128.09 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 74.34 109.49 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -106.26 -173.47 2.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 63.54 110.619 -175.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.47 167.72 12.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 64.21 110.96 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.03 -172.92 45.16 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.427 -0.892 . . . . 74.31 112.271 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.501 ' CG ' ' HG ' ' A' ' 68' ' ' SER . 6.5 t70 -81.13 -27.94 35.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.506 0.67 . . . . 73.33 110.013 -178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 15.15 24.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 54.12 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.416 HG22 ' HG3' ' A' ' 64' ' ' LYS . 21.5 t -118.74 140.55 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 75.44 110.7 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.83 139.69 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 74.21 111.019 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -97.27 139.44 33.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.082 0.468 . . . . 73.12 110.761 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.95 135.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 75.04 108.903 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 m -134.3 119.62 18.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.826 0.346 . . . . 64.13 110.503 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 3.4 mp -106.03 143.18 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.708 -0.479 . . . . 62.11 109.708 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 23.3 p90 -135.16 143.13 46.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.189 -0.459 . . . . 63.53 110.436 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.25 178.59 6.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.911 -0.586 . . . . 63.42 110.02 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 5.6 mm-40 -81.87 -36.09 28.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.0 0.37 . . . . 70.23 112.0 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.3 p -109.36 142.26 40.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 75.34 111.155 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.55 -36.29 73.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.151 0.501 . . . . 74.25 109.773 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.92 -44.17 78.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.218 -0.901 . . . . 72.43 111.143 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.9 97.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.719 0.295 . . . . 74.31 110.639 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.2 mp -56.26 -55.08 37.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.778 -0.646 . . . . 44.32 110.177 173.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.87 -39.49 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.451 -0.795 . . . . 71.22 111.756 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 42.4 m -66.36 -47.52 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.726 0.298 . . . . 74.52 111.41 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 71.44 110.179 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.553 ' HG ' HD13 ' A' ' 59' ' ' LEU . 2.3 tm? -59.54 -45.48 91.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 74.54 110.064 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.91 73.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.331 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 29' ' ' SER . 92.7 mttt -61.26 -44.83 96.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.101 0.477 . . . . 74.5 110.566 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -69.07 -36.85 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 74.01 111.13 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.7 mt -66.62 -39.97 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.452 . . . . 73.21 110.125 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.12 -40.31 95.91 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.964 -0.562 . . . . 73.32 111.026 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -38.16 86.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.981 -0.554 . . . . 70.42 109.543 175.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.3 91.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 65.22 111.068 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.45 -0.341 . . . . 74.21 111.113 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -73.78 -33.71 64.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.963 0.411 . . . . 71.21 110.13 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.56 -39.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.51 . . . . 74.04 110.952 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 49.0 t -130.46 126.19 36.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.058 0.456 . . . . 65.15 110.355 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.66 22.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.663 -0.698 . . . . 73.03 110.974 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.94 52.18 0.67 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.776 -0.726 . . . . 75.43 112.698 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.2 p -73.66 125.78 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.142 0.496 . . . . 53.34 110.642 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.39 119.2 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.402 -0.592 . . . . 74.04 109.402 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 14.9 p90 -130.79 142.22 50.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.44 0.638 . . . . 64.44 112.238 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.84 167.2 10.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.234 -0.894 . . . . 65.54 109.196 171.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.53 147.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.86 -0.609 . . . . 73.4 109.364 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -70.4 167.33 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.805 -0.443 . . . . 70.45 109.805 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.52 129.64 34.96 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.109 0.48 . . . . 64.3 110.455 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 HD21 HD11 ' A' ' 59' ' ' LEU . 87.2 mt -83.6 123.54 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 71.02 110.453 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 p -121.13 -177.79 3.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.748 -0.66 . . . . 73.42 110.264 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.22 -36.21 69.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.122 0.487 . . . . 73.22 111.162 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.13 -7.97 31.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 54.22 112.71 -171.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 116.78 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.358 0.599 . . . . 71.21 112.441 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 5.5 mptp? -88.5 -22.22 23.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 64.41 110.302 173.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -131.97 158.73 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 73.52 111.253 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD13 ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt? -146.78 140.47 25.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 74.42 109.848 173.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.0 m -104.08 118.67 37.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.09 -0.504 . . . . 65.12 110.769 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.54 122.99 49.1 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.698 -0.683 . . . . 63.12 109.299 176.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 42.8 ttm180 -108.11 116.38 31.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.11 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.5 113.4 26.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 75.44 111.141 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HG3' HG22 ' A' ' 14' ' ' VAL . 33.1 tttm -97.37 120.99 38.74 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 71.01 109.377 171.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.413 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 77.0 m-85 -93.75 -176.76 4.15 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.695 -0.483 . . . . 74.12 109.695 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -93.71 -36.16 12.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.028 0.442 . . . . 74.32 110.154 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -127.24 150.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 74.12 109.16 172.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.501 ' HG ' ' CG ' ' A' ' 12' ' ' ASP . 5.1 m -71.62 -12.29 61.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.057 0.456 . . . . 71.04 111.133 -175.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 37.04 110.019 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' CD ' ' HG ' ' A' ' 42' ' ' CYS . 61.1 mt-10 -59.21 -35.47 73.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 75.42 110.152 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 24.0 ttpp -59.04 -57.65 12.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.392 -0.822 . . . . 72.54 110.007 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.76 -45.21 74.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.753 -1.112 . . . . 70.24 111.309 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.1 mt -59.15 -45.35 92.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.757 0.313 . . . . 74.1 110.969 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -65.2 -43.87 90.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.468 . . . . 63.24 110.556 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 44.8 mt-10 -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 72.31 110.748 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.42 -43.3 97.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.29 -0.414 . . . . 63.32 111.787 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -72.92 -36.83 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.553 -0.294 . . . . 74.32 111.694 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.8 p -70.24 -35.22 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.764 -0.198 . . . . 74.04 111.22 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 92.4 mtt180 -56.22 -44.5 79.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.965 0.412 . . . . 61.34 111.38 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -80.7 -19.31 45.41 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.038 -0.528 . . . . 72.11 112.235 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -95.42 -38.69 10.36 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.025 0.44 . . . . 73.05 111.249 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.03 16.38 26.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.099 -0.501 . . . . 73.31 112.054 -171.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -85.15 165.01 17.79 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.457 -0.942 . . . . 74.15 108.457 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -77.74 50.77 0.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.206 0.527 . . . . 75.42 110.474 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 67.73 169.22 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.639 -1.164 . . . . 73.22 111.398 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -110.52 79.82 1.25 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.781 -1.563 . . . . 72.33 106.781 163.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -71.25 96.77 1.45 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.776 . . . . 73.3 111.701 -165.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -89.79 147.17 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 74.54 109.762 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -101.85 -33.75 9.68 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 74.53 110.542 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -157.33 136.65 11.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.267 . . . . 71.55 110.278 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.762 -0.637 . . . . 72.14 110.284 179.492 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.96 0.41 . . . . 53.14 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.01 -128.5 4.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.273 -0.731 . . . . 74.03 111.273 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -131.85 136.92 47.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.805 -0.813 . . . . 72.4 108.805 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' HB ' ' NH2' ' A' ' 62' ' ' ARG . 7.8 mm -65.02 153.24 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 72.45 110.681 -173.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.52 69.74 0.47 Allowed Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.725 -0.671 . . . . 70.31 112.735 -172.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -99.69 178.75 4.75 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.353 -0.424 . . . . 74.42 110.052 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.75 -53.26 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 72.13 109.431 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.7 mt -89.42 126.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 75.13 109.741 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -96.0 -177.83 4.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.08 -0.509 . . . . 65.03 110.726 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.75 168.18 9.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.405 0.622 . . . . 72.2 112.205 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.35 177.86 40.25 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.304 -0.862 . . . . 53.32 111.343 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.93 -17.44 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.766 0.317 . . . . 50.45 111.758 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -101.65 3.33 39.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.122 0.487 . . . . 74.32 109.894 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.36 136.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 73.34 111.318 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -131.53 109.98 10.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 72.24 109.735 174.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.92 134.98 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.231 0.538 . . . . 73.22 110.606 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.2 p -141.04 153.38 20.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.504 -0.771 . . . . 50.23 111.165 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.0 m -134.19 127.05 31.18 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.564 -0.744 . . . . 65.42 109.752 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 27.2 mt -98.59 142.51 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.635 -0.506 . . . . 73.12 109.635 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -126.63 140.03 52.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.754 0.311 . . . . 63.42 110.648 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -173.78 157.03 2.98 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.964 -0.754 . . . . 54.15 108.964 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.5 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 70.9 mm-40 -74.2 -23.22 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.171 0.434 . . . . 73.45 112.171 -174.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -114.6 139.92 49.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.508 -0.477 . . . . 70.14 111.014 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' A' ' 53' ' ' THR . 26.4 ttpp -62.35 -34.65 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.421 0.629 . . . . 72.41 109.711 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.73 -38.21 81.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.197 -0.91 . . . . 55.24 110.599 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.38 83.55 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.077 -0.342 . . . . 72.55 110.077 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD13 ' HB1' ' A' ' 21' ' ' ALA . 9.9 mp -55.72 -55.72 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.664 . . . . 72.43 110.112 173.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -41.18 98.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.499 -0.773 . . . . 74.42 111.955 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -65.63 -43.45 89.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.587 0.232 . . . . 65.34 111.589 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 17.3 tt0 -76.32 -34.38 59.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.836 0.35 . . . . 74.43 110.163 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.3 tp -52.57 -47.97 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.852 -0.613 . . . . 74.3 110.524 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.95 -35.91 64.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.24 -0.891 . . . . 52.31 111.31 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.34 -44.16 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.209 0.528 . . . . 74.15 110.341 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.1 m-85 -65.89 -37.88 87.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.492 -0.777 . . . . 75.21 110.727 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 31' ' ' LEU . 75.1 mt -63.27 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 73.1 110.549 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.85 -44.68 92.41 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.117 0.484 . . . . 72.42 110.098 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' O ' HG21 ' A' ' 41' ' ' VAL . 94.5 mt -63.16 -32.87 74.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.91 -0.587 . . . . 73.33 111.033 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 53.31 110.483 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -70.76 -25.36 62.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 75.2 110.912 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 t -66.57 -41.55 88.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 74.55 109.768 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG21 ' O ' ' A' ' 37' ' ' LEU . 66.0 t -79.26 -52.97 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 61.12 110.697 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.4 t -128.45 118.95 23.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.182 0.515 . . . . 71.33 110.693 -175.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.04 79.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 53.33 111.115 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.75 33.04 6.71 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.479 -0.867 . . . . 65.13 112.567 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.55 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -62.82 127.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.191 0.519 . . . . 74.0 111.258 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.42 135.5 38.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.61 -0.723 . . . . 62.54 109.225 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.686 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 8.5 p90 -143.82 139.57 29.39 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.56 0.695 . . . . 75.25 112.862 -176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.432 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 14.6 m120 -112.46 167.8 10.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.865 -1.161 . . . . 70.5 107.865 170.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -156.63 152.24 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 110.227 -0.286 . . . . 74.34 110.227 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -66.98 165.36 15.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.941 0.401 . . . . 75.53 110.304 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.32 129.4 34.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.132 -0.485 . . . . 72.33 109.84 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.97 125.6 29.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.75 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.498 ' O ' ' HD3' ' A' ' 24' ' ' LYS . 24.8 p -116.8 -179.11 3.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.362 -0.607 . . . . 74.24 109.362 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -76.1 -30.29 58.2 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.883 -0.327 . . . . 65.52 111.784 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.6 25.5 11.73 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.876 0.324 . . . . 73.03 111.876 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -65.68 120.58 13.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 73.43 111.714 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 2.7 mptm? -107.01 -1.95 21.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.155 0.502 . . . . 73.25 109.995 169.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -149.24 154.79 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.727 -0.67 . . . . 73.22 110.611 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD21 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -152.12 140.38 20.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.847 -0.615 . . . . 73.21 109.369 170.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 m -105.57 128.48 53.63 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.884 -0.598 . . . . 74.12 110.114 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 117.85 31.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.933 -0.576 . . . . 63.13 110.14 -178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.686 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 17.7 tpp85 -95.89 114.16 25.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.478 -0.783 . . . . 75.44 109.623 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -112.65 124.77 53.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.725 0.297 . . . . 72.02 111.305 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -115.79 123.87 49.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.241 -0.652 . . . . 73.54 109.241 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -90.93 -176.03 4.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.766 -0.652 . . . . 74.42 110.281 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -93.19 -28.11 16.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 121.152 0.501 . . . . 75.23 110.083 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -134.49 160.13 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.705 -0.679 . . . . 54.35 110.001 171.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.86 -23.78 64.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.008 0.432 . . . . 73.05 111.721 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.65 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.098 -0.501 . . . . 71.12 111.43 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 71.3 mt-10 -68.44 -29.24 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.409 -0.36 . . . . 63.33 110.777 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 61.8 tttp -56.25 -60.33 3.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.677 0.751 . . . . 74.25 109.709 173.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -51.94 -48.0 64.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.812 -1.54 . . . . 73.12 111.68 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.88 -45.64 94.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.801 0.334 . . . . 72.34 111.148 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.62 -42.81 86.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.345 -0.389 . . . . 65.42 110.466 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -64.2 -36.82 85.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.469 . . . . 51.11 110.994 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.68 -39.56 93.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.3 -0.409 . . . . 63.01 111.428 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -79.36 -32.74 43.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.769 0.285 . . . . 72.34 111.769 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 p -74.1 -29.35 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.0 -0.28 . . . . 70.14 111.573 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -55.32 -42.92 74.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.946 0.403 . . . . 63.24 111.841 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -65.45 -30.63 71.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.284 -0.416 . . . . 72.04 111.758 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -79.35 -42.54 25.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.355 0.598 . . . . 73.15 109.631 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.22 92.98 2.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.989 -1.005 . . . . 70.42 110.541 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -87.91 -3.46 58.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.711 -0.677 . . . . 74.54 110.371 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -111.31 34.98 3.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.638 -0.71 . . . . 70.41 111.211 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -76.31 161.39 28.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.179 0.514 . . . . 75.3 111.498 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -113.08 135.66 53.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.5 -0.773 . . . . 72.12 109.392 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -85.09 142.96 29.16 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.528 -0.545 . . . . 64.22 109.528 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -91.36 26.34 2.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.303 0.573 . . . . 74.21 110.734 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -138.66 104.96 5.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.579 -0.737 . . . . 74.5 109.411 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -130.99 100.78 5.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.09 0.472 . . . . 74.42 111.303 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 118.436 -0.792 . . . . 72.5 109.203 174.138 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.081 -0.341 . . . . 61.41 110.081 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.58 84.01 1.73 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.268 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.612 ' HG3' ' HD3' ' A' ' 9' ' ' LYS . 41.4 tt0 -91.96 137.19 32.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 63.31 109.622 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 mt -120.83 166.32 15.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.647 -0.871 . . . . 72.1 108.647 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.77 48.66 1.31 Allowed Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.337 -0.459 . . . . 52.42 113.25 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.15 175.57 9.46 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.895 -0.78 . . . . 73.53 108.895 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mm -83.62 -33.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.589 0.709 . . . . 74.22 110.122 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 89.0 mt -94.83 124.91 47.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.349 -0.841 . . . . 71.43 111.433 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.612 ' HD3' ' HG3' ' A' ' 3' ' ' GLU . 9.5 mtmp? -104.06 -168.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.5 -0.773 . . . . 75.21 110.347 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.82 163.68 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.442 0.534 . . . . 72.24 112.442 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.61 -176.5 39.71 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.182 -0.767 . . . . 54.45 111.182 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.95 -30.44 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.654 0.74 . . . . 65.53 109.781 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -81.42 -5.02 57.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.961 -1.018 . . . . 72.25 109.941 177.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.66 138.05 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 73.41 111.098 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.882 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.92 113.4 7.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.74 -0.664 . . . . 70.34 109.692 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.543 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 4.5 p-10 -106.3 142.56 35.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.082 0.468 . . . . 72.12 110.893 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 t -124.7 132.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.557 -0.747 . . . . 63.52 109.697 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -104.88 110.7 23.17 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.289 -0.869 . . . . 71.25 110.042 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 12.4 mt -99.77 136.77 29.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.25 -0.432 . . . . 55.54 110.151 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -151.35 142.29 22.99 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.867 -0.606 . . . . 75.14 110.061 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.97 -166.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.163 -0.471 . . . . 53.33 110.226 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.81 -30.65 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 74.24 110.985 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -135.27 154.47 51.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 63.3 111.085 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HZ2' ' CB ' ' A' ' 24' ' ' LYS . 2.3 ttmp? -59.21 -34.2 71.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.823 -0.626 . . . . 70.12 110.854 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.37 -42.86 74.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 74.45 111.349 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.03 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 44.44 110.219 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD22 HD22 ' A' ' 59' ' ' LEU . 11.2 mp -58.36 -49.09 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.634 . . . . 74.34 110.507 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 49.0 mt-10 -60.24 -42.17 94.69 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.916 -0.584 . . . . 54.11 111.165 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.1 m -62.47 -52.28 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 54.23 110.969 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.77 -40.83 97.66 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.167 -0.47 . . . . 64.41 111.052 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.9 tp -57.79 -51.22 70.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.04 -0.527 . . . . 71.21 110.307 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.5 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.489 -0.778 . . . . 74.14 111.166 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.86 -41.03 97.88 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.29 -0.414 . . . . 72.01 111.134 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.01 -40.38 75.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.406 -0.361 . . . . 72.14 111.079 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 73.24 110.428 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.16 -46.75 89.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.308 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.05 -35.67 75.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 73.13 110.062 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.33 86.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.551 . . . . 64.22 110.712 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -69.47 -26.62 64.66 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.11 0.481 . . . . 71.22 110.5 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 t -69.06 -36.26 77.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 73.23 110.226 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -88.64 -42.22 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.4 111.387 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.7 t -130.49 135.22 47.73 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.293 0.568 . . . . 71.41 110.289 -174.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.87 -44.17 20.95 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.466 -0.788 . . . . 72.43 111.093 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.56 60.03 0.35 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.997 -0.62 . . . . 60.34 111.947 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.06 131.97 37.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.842 0.353 . . . . 64.22 111.114 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.73 140.45 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.262 -0.644 . . . . 65.11 109.262 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.501 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 45.6 p90 -144.47 151.65 39.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.303 0.573 . . . . 72.35 111.388 177.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -120.96 161.63 21.28 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 75.32 109.437 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG11 HD13 ' A' ' 59' ' ' LEU . 60.4 t -141.02 149.81 20.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.362 -0.835 . . . . 73.04 108.962 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 46.0 m -70.58 179.58 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 74.42 110.887 177.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.72 117.6 16.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 73.33 110.918 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.92 113.7 20.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 64.43 110.457 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 p -139.4 172.21 13.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.515 -0.766 . . . . 53.25 109.311 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -43.21 82.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 71.55 110.915 -178.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -106.48 46.45 0.92 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.152 0.426 . . . . 73.55 112.152 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -84.78 95.51 8.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.187 -1.042 . . . . 62.34 108.187 165.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.678 ' HB2' ' HZ2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -82.81 -2.88 55.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.5 . . . . 72.34 109.873 -177.316 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 156.51 18.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.493 -0.776 . . . . 63.04 110.044 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD22 HD22 ' A' ' 27' ' ' LEU . 2.5 pt? -152.2 148.99 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.045 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.6 m -113.21 115.2 27.85 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.166 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.39 113.42 26.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.001 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 24.3 mtp180 -98.7 116.41 30.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.243 -0.435 . . . . 75.45 109.952 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -103.15 126.62 50.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.153 0.283 . . . . 75.23 110.333 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -119.9 115.12 23.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.449 -0.574 . . . . 51.41 109.449 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -86.32 -173.65 4.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.655 -0.702 . . . . 65.41 110.572 -175.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -81.22 -39.1 25.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.132 0.491 . . . . 65.02 110.036 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.44 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -135.07 161.65 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.7 -0.682 . . . . 61.41 110.453 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.7 m -65.65 -27.49 68.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.245 -0.434 . . . . 62.12 111.406 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.77 84.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 73.51 110.93 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 66.0 mt-10 -67.29 -35.06 78.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.606 . . . . 75.3 110.271 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.882 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.2 tmmm? -62.59 -51.26 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.502 -0.772 . . . . 70.22 109.665 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.8 mt -53.52 -47.07 70.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.971 . . . . 74.33 111.468 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.06 -44.13 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 64.31 111.018 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 74.23 110.549 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 6.9 mm-40 -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 74.12 110.674 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -39.38 91.35 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.213 -0.449 . . . . 75.15 111.788 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.46 -39.18 67.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.439 -0.346 . . . . 74.15 111.305 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 12.6 p -72.45 -21.3 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.922 0.342 . . . . 75.22 111.922 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 2.3 mmp_? -55.44 -50.59 69.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.839 0.352 . . . . 71.25 111.647 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -87.25 -12.17 47.5 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.389 -0.369 . . . . 73.24 111.652 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 15.8 tp -81.42 -44.6 17.28 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.17 0.51 . . . . 55.51 109.731 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.72 60.59 1.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 74.22 109.424 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HG2' ' HG ' ' A' ' 84' ' ' LEU . 59.8 ttt180 -128.54 155.53 44.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 64.1 110.147 -172.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' HG ' ' HG2' ' A' ' 83' ' ' ARG . 66.6 mt 60.85 47.53 7.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.516 0.675 . . . . 74.43 110.958 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.48 161.96 30.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.997 -1.001 . . . . 73.3 111.607 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -152.47 87.42 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.433 -0.803 . . . . 74.33 109.689 172.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -82.93 70.77 10.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.552 -0.749 . . . . 73.54 110.327 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.7 m80 62.74 -178.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.467 -0.788 . . . . 75.04 110.844 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.6 m170 60.31 29.88 19.37 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.758 -0.656 . . . . 75.55 111.686 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -72.57 89.76 1.31 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.329 0.585 . . . . 75.23 109.758 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.106 -0.952 . . . . 74.03 110.726 -179.245 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.513 ' HA ' HG21 ' A' ' 60' ' ' THR . . . . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.883 0.373 . . . . 63.52 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.25 -100.32 0.17 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.481 -1.048 . . . . 75.22 110.481 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.88 176.51 6.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.577 -0.527 . . . . 71.14 109.577 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.75 157.23 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.477 0.656 . . . . 74.32 110.184 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.96 35.25 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 109.399 -1.481 . . . . 64.41 109.399 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.69 150.26 30.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.633 -0.784 . . . . 74.44 110.261 -172.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.24 -46.81 9.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 107.612 -1.255 . . . . 71.2 107.612 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.2 mt -106.36 131.94 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.408 -1.269 . . . . 64.52 109.082 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -94.39 -177.49 4.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.38 -0.373 . . . . 72.35 110.494 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -59.09 163.49 3.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.329 0.585 . . . . 64.34 111.473 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.11 -177.03 47.79 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.02 -1.232 . . . . 73.5 110.02 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -30.36 66.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 117.141 0.47 . . . . 73.14 111.654 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 -0.32 23.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.249 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -103.92 121.53 55.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.003 -0.279 . . . . 62.54 110.998 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -115.05 111.97 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.621 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.55 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 19.7 t70 -88.83 136.42 33.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 74.15 110.381 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 145.79 35.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.886 -1.052 . . . . 73.23 109.695 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -130.42 110.39 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.114 0.483 . . . . 72.44 110.314 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 17.2 mt -100.62 141.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.847 -0.615 . . . . 72.2 110.0 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -142.55 151.94 42.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.375 -0.375 . . . . 62.34 110.493 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.03 -172.2 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 73.25 110.255 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -72.13 -35.83 69.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.133 0.419 . . . . 73.21 112.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -143.66 162.4 36.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 74.22 111.744 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.71 -36.67 74.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 75.41 110.552 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -51.12 -44.02 61.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.235 -0.893 . . . . 74.13 111.137 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.92 -44.19 73.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 73.25 110.462 178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD22 HD23 ' A' ' 59' ' ' LEU . 10.8 mp -53.78 -49.29 68.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.563 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.83 -36.16 71.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.339 -0.846 . . . . 73.44 111.504 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -76.7 -47.88 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 74.43 111.111 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 4.9 mm-40 -65.41 -39.69 92.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.218 -0.446 . . . . 75.11 111.268 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.6 tp -55.87 -44.38 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.157 0.504 . . . . 75.14 110.418 178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.27 70.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.24 -0.891 . . . . 70.43 111.118 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -66.79 -40.26 88.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.65 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -68.28 -40.55 81.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 75.21 111.183 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.36 -38.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.249 0.547 . . . . 72.03 109.889 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.42 -43.74 96.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.538 -0.756 . . . . 72.25 111.364 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD12 HD23 ' A' ' 81' ' ' LEU . 75.4 mt -66.4 -34.17 77.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.437 . . . . 72.24 110.52 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 73.14 110.442 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.88 -32.31 71.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.921 -0.581 . . . . 74.15 110.894 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.3 t -65.93 -33.07 74.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.957 -0.565 . . . . 72.02 110.212 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -88.37 -49.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.006 -0.543 . . . . 75.11 111.27 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 38.0 t -128.79 129.68 45.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.327 0.584 . . . . 65.53 110.838 -172.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.72 -31.1 46.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.5 -0.773 . . . . 63.2 110.591 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.15 39.55 2.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.85 -0.69 . . . . 44.34 112.112 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.557 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.2 p -75.32 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 71.34 110.588 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -132.21 129.8 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.303 -0.629 . . . . 73.21 109.303 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -131.11 156.59 44.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 64.12 112.761 -170.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.7 167.32 11.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.701 -1.136 . . . . 74.35 108.667 171.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.75 148.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.189 -0.46 . . . . 74.45 109.995 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.8 m -70.22 173.21 6.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.851 0.358 . . . . 74.22 110.508 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.58 137.47 42.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.964 0.412 . . . . 73.23 110.695 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -98.23 120.76 39.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 71.51 111.383 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -124.54 178.38 5.45 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 74.52 109.089 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.42 -11.91 59.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.062 0.458 . . . . 71.1 110.665 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -83.41 -14.03 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.748 -0.66 . . . . 63.24 110.498 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -72.44 122.35 21.1 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.947 -0.569 . . . . 64.14 111.048 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.582 ' HG2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -121.61 7.5 10.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.645 -1.243 . . . . 74.43 107.645 175.186 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.582 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.79 140.59 16.1 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 113.639 -1.619 . . . . 71.13 109.245 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -143.97 153.28 42.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.959 0.409 . . . . 72.0 110.3 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.56 HG23 HH21 ' A' ' 62' ' ' ARG . 4.3 m -120.08 127.58 52.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.925 -0.58 . . . . 72.11 110.351 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.68 137.27 36.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 64.34 110.376 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.56 HH21 HG23 ' A' ' 60' ' ' THR . 0.0 OUTLIER -117.77 130.09 56.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.789 0.328 . . . . 65.42 110.657 -178.04 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -103.12 117.35 34.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.269 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.55 115.66 28.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 75.01 109.844 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -96.55 -164.67 1.18 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.677 -0.692 . . . . 72.13 109.43 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -95.76 -45.32 7.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.843 0.354 . . . . 72.54 110.984 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.15 164.29 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.583 -0.28 . . . . 74.43 111.624 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -65.53 -29.63 70.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.101 -0.5 . . . . 55.45 111.456 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.74 -35.04 78.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.602 -0.726 . . . . 75.14 111.524 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.36 -32.0 72.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 74.1 110.82 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 38.2 ttmt -58.4 -56.98 15.17 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.861 0.839 . . . . 62.5 109.51 172.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.29 -50.94 61.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.625 -1.625 . . . . 71.41 111.647 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.8 mt -57.88 -45.1 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.783 0.325 . . . . 74.12 111.131 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.52 -49.7 72.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.289 -0.414 . . . . 71.13 110.737 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 7.4 mm-40 -67.32 -28.35 67.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 62.1 112.239 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 76' ' ' LEU . 19.2 mt -65.25 -37.37 87.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.137 0.494 . . . . 63.13 110.179 174.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.52 -35.5 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 72.03 111.382 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.0 p -67.93 -29.56 68.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.895 0.379 . . . . 65.14 110.499 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 9.1 mmm180 -61.09 -47.34 86.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.28 -0.418 . . . . 73.41 111.328 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -81.26 -15.41 55.63 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.201 0.445 . . . . 75.42 112.201 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.418 HD23 HD12 ' A' ' 37' ' ' LEU . 12.7 tp -91.35 -40.56 11.4 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.003 0.43 . . . . 64.41 110.638 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.9 39.31 1.34 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 72.11 111.046 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -151.34 129.31 11.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.63 . . . . 72.05 109.579 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.9 mt 54.5 49.54 18.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.5 0.667 . . . . 72.01 110.659 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 88' ' ' HIS . 2.6 mp0 -64.82 175.05 1.6 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.89 -1.05 . . . . 74.14 110.152 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -58.75 -75.61 0.05 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 75.11 111.096 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -138.76 75.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.679 0.752 . . . . 72.12 111.227 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -100.3 19.03 17.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.669 -1.151 . . . . 75.41 108.679 175.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.16 95.15 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.735 -1.12 . . . . 75.1 113.632 -172.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.494 ' HB3' ' HD2' ' A' ' 91' ' ' HIS . 1.6 m-70 160.07 -64.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.28 1.432 . . . . 72.2 108.338 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.494 ' HD2' ' HB3' ' A' ' 90' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.241 0.646 0 CA-C-N 115.526 -0.761 . . . . 75.0 109.678 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 74.32 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' HA2' ' HB2' ' A' ' 9' ' ' LYS . . . -101.07 -171.68 28.64 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.725 -0.75 . . . . 72.24 113.007 -177.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -147.92 143.99 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.111 -0.7 . . . . 64.31 109.111 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 159.8 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.043 0.449 . . . . 73.42 111.833 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.97 -36.26 3.18 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.7 -0.682 . . . . 71.43 111.43 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.485 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 73.7 m-85 -110.53 157.95 19.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.321 -0.439 . . . . 72.55 110.088 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.32 -56.17 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.595 -0.521 . . . . 74.44 109.595 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 64' ' ' LYS . 67.2 mt -69.73 121.6 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 74.41 110.736 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB2' ' HA2' ' A' ' 2' ' ' GLY . 60.6 pttt -94.86 -173.83 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.639 -0.709 . . . . 61.01 110.509 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.1 164.34 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.357 0.599 . . . . 75.22 112.61 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.26 173.19 39.42 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.208 -1.157 . . . . 60.31 110.208 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.94 -18.91 45.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 117.396 0.598 . . . . 74.53 110.707 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.51 8.18 42.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.589 . . . . 71.52 110.567 175.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.65 120.79 61.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 74.33 110.774 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.518 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -125.84 120.55 30.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.191 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.878 ' HB3' ' HG3' ' A' ' 62' ' ' ARG . 9.3 p-10 -99.58 143.17 30.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.328 0.585 . . . . 73.44 110.868 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.12 130.64 71.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.303 -0.862 . . . . 63.11 109.737 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.5 m -113.18 116.12 29.32 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.545 -0.752 . . . . 72.15 109.678 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.7 mt -98.09 140.78 17.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.431 . . . . 74.25 109.878 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 23.8 m-85 -123.08 133.6 54.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.927 -0.579 . . . . 74.42 109.457 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -159.84 -176.81 5.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.723 0.297 . . . . 72.12 111.02 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.38 -25.55 20.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.989 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -130.5 154.27 47.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.092 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 31.8 ttpt -65.18 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.448 -0.575 . . . . 73.42 109.448 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.46 -44.68 80.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.336 -0.847 . . . . 63.33 110.658 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.77 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 64.02 110.639 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HG ' HD23 ' A' ' 59' ' ' LEU . 9.3 mp -57.58 -53.14 61.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.085 -0.507 . . . . 54.32 110.393 174.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.4 -39.26 90.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.652 -0.703 . . . . 74.21 111.403 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m -67.09 -51.2 57.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.401 -0.363 . . . . 71.45 111.089 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -60.77 -40.91 94.28 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.984 0.421 . . . . 74.13 110.762 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 35' ' ' ILE . 22.5 tp -55.36 -49.02 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.427 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.07 66.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.617 -0.719 . . . . 65.34 111.801 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 29' ' ' SER . 68.0 mmtt -70.28 -40.11 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.116 0.484 . . . . 71.02 110.012 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -74.97 -32.49 61.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.574 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 31' ' ' LEU . 77.0 mt -62.71 -39.2 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.042 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.53 -46.14 91.19 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.132 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 81' ' ' LEU . 60.3 mt -55.16 -43.04 73.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 71.4 110.784 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.16 75.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.047 -0.524 . . . . 51.31 110.701 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -71.85 -23.51 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 75.23 111.339 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 t -76.17 -28.93 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 73.54 110.552 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.22 -38.28 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 71.02 111.467 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.675 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 1.8 p -145.52 145.76 31.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.176 0.512 . . . . 73.22 111.245 -173.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.15 14.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.513 -0.767 . . . . 73.02 110.76 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.16 29.11 5.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.103 -0.57 . . . . 70.11 112.842 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.675 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.2 p -91.81 132.38 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.971 0.415 . . . . 54.33 110.946 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.83 147.21 44.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.591 -0.892 . . . . 52.41 108.591 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -137.15 141.75 42.23 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.706 0.765 . . . . 73.1 112.418 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.466 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -111.63 169.73 8.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.848 -1.069 . . . . 71.31 109.662 175.399 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.25 151.35 12.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.957 -0.565 . . . . 73.11 110.258 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -69.66 177.94 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 65.31 110.577 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.86 134.23 35.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.851 0.358 . . . . 73.13 110.274 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 6.5 mp -90.02 124.4 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.45 110.189 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p -125.84 -168.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.522 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.42 -41.2 80.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.06 0.457 . . . . 63.21 110.677 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -112.49 19.75 17.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.537 -0.756 . . . . 74.23 112.091 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -68.81 101.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.263 0.554 . . . . 43.02 111.229 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.557 ' HD2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -104.79 6.43 33.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.446 -0.797 . . . . 72.54 109.897 175.659 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.677 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 47.6 mt-10 -142.56 140.39 31.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.077 -0.965 . . . . 64.32 109.666 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.665 HD23 ' HG ' ' A' ' 27' ' ' LEU . 1.9 pt? -148.02 145.66 28.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.954 0.407 . . . . 72.45 109.967 172.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.485 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 55.1 m -111.0 113.08 25.37 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.77 -0.65 . . . . 64.52 110.494 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.12 115.61 30.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.973 -0.558 . . . . 75.51 109.587 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.878 ' HG3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -100.78 115.53 30.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.934 -0.395 . . . . 74.32 109.934 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -100.87 118.15 36.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 73.52 110.477 -176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.516 ' HB2' HG23 ' A' ' 8' ' ' ILE . 13.7 tmtt? -101.7 107.66 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.312 -0.625 . . . . 73.22 109.312 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.463 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 78.3 m-85 -82.87 -172.93 4.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.755 . . . . 75.42 110.011 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -101.75 -42.95 5.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 120.785 0.326 . . . . 64.12 110.307 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.62 163.17 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 63.21 110.501 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -66.93 -26.54 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 70.01 111.815 -176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.9 72.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.503 . . . . 74.13 110.721 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.14 -41.51 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.318 0.58 . . . . 71.42 110.316 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.518 ' HE2' ' HB1' ' A' ' 15' ' ' ALA . 13.0 tmtt? -58.42 -55.9 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.813 -1.085 . . . . 71.23 110.616 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.18 -42.75 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.286 -0.87 . . . . 75.34 111.591 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.417 ' HA ' HD11 ' A' ' 76' ' ' LEU . 76.5 mt -61.26 -39.06 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 73.42 110.975 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.42 -42.45 98.76 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.116 0.484 . . . . 70.01 110.272 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 35.4 mt-10 -68.69 -31.28 70.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 65.52 111.423 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 73' ' ' ILE . 90.2 mt -69.03 -48.84 61.91 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 120.924 0.392 . . . . 75.12 110.744 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.5 -47.45 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 71.41 111.397 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.561 -0.29 . . . . 64.45 111.771 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 21.1 mtm180 -66.23 -43.98 85.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.691 0.256 . . . . 75.42 111.691 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.1 t -88.94 -34.48 16.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.599 0.238 . . . . 71.51 111.517 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.6 tp -72.98 -42.07 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 63.32 110.424 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.67 85.95 2.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.969 -0.559 . . . . 62.34 109.501 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -72.61 110.06 6.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.525 -0.761 . . . . 73.44 109.54 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -86.65 69.82 10.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.645 -1.161 . . . . 73.32 109.759 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 62.78 -128.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.332 -1.304 . . . . 75.1 110.156 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -142.66 86.65 1.95 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.527 0.68 . . . . 75.42 111.254 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -87.36 112.7 22.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.874 . . . . 71.24 108.639 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -75.27 93.97 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.924 0.869 . . . . 74.35 111.574 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -76.49 108.06 9.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.691 -1.141 . . . . 70.02 108.589 172.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.81 159.35 21.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 75.03 110.361 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 m80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.121 -0.942 . . . . 74.23 109.13 178.206 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.883 0.373 . . . . 74.23 110.262 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.743 ' HA3' ' HB3' ' A' ' 16' ' ' ASP . . . -91.95 -134.92 6.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.823 -0.704 . . . . 71.31 112.333 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.58 138.44 46.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.099 0.476 . . . . 73.43 111.08 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.8 pt -97.69 165.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.744 -0.662 . . . . 65.34 110.938 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.07 26.35 8.42 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.587 -0.816 . . . . 74.1 111.725 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -120.54 -172.36 2.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.666 -0.494 . . . . 73.31 109.666 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.606 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.4 mt -57.09 -56.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.94 0.4 . . . . 72.14 110.762 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.5 mt -93.92 137.07 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.338 -0.392 . . . . 73.11 109.955 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -87.53 -175.76 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.904 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.72 171.42 15.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.611 0.719 . . . . 73.12 112.097 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.02 167.91 20.36 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.237 -1.145 . . . . 63.42 110.237 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 68' ' ' SER . 34.7 t70 -75.14 -19.19 60.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.867 0.833 . . . . 74.23 110.302 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -87.42 -7.03 58.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.815 -0.63 . . . . 74.41 110.087 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.21 121.01 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.909 -0.587 . . . . 74.34 110.669 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.47 104.34 13.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.35 -0.386 . . . . 72.21 110.112 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.743 ' HB3' ' HA3' ' A' ' 2' ' ' GLY . 28.1 t70 -88.97 130.81 35.39 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.312 0.577 . . . . 40.04 109.75 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.1 139.61 45.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 114.995 -1.002 . . . . 75.34 110.534 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -112.97 112.29 23.64 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.883 -0.599 . . . . 72.21 109.925 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' HB ' HD23 ' A' ' 59' ' ' LEU . 34.3 mt -98.17 145.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.412 -0.588 . . . . 61.03 109.412 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.38 151.84 46.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.849 0.357 . . . . 62.11 111.215 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -172.69 172.49 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.778 -0.823 . . . . 75.55 108.778 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -80.2 -25.23 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.572 0.582 . . . . 74.53 112.572 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -126.76 147.85 49.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 65.12 111.84 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HD2' ' O ' ' A' ' 53' ' ' THR . 59.5 tttm -56.09 -42.08 76.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.611 -0.722 . . . . 63.22 110.364 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.95 -44.63 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 72.2 111.207 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.84 96.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.139 -0.482 . . . . 72.1 110.736 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' HD22 ' A' ' 59' ' ' LEU . 8.2 mp -54.94 -54.15 46.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.214 0.531 . . . . 63.41 110.218 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.88 -41.95 98.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.237 -0.892 . . . . 75.1 111.714 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.3 m -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 62.21 111.497 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 34.1 tt0 -73.8 -42.71 60.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.899 0.38 . . . . 64.45 110.026 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 35' ' ' ILE . 26.2 tp -53.09 -46.07 68.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.63 -0.714 . . . . 70.24 110.667 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.18 65.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 41.23 111.59 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.6 mmtt -74.93 -35.55 62.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.699 0.285 . . . . 63.44 111.124 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 8.3 m-85 -67.29 -38.58 85.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.884 -0.413 . . . . 71.2 109.884 173.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -65.74 -38.68 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.24 -0.437 . . . . 73.5 110.186 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.4 -48.41 81.85 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.136 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD23 ' HD3' ' A' ' 77' ' ' LYS . 77.7 mt -63.79 -33.42 75.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.717 . . . . 74.41 110.587 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' HB2' HG13 ' A' ' 45' ' ' VAL . . . -65.1 -46.25 81.83 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.1 -0.5 . . . . 55.33 110.859 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.8 -30.84 71.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 70.34 111.129 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t -72.43 -27.58 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 54.44 110.286 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -94.77 -43.44 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.213 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.4 t -139.94 122.1 15.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.989 0.423 . . . . 50.01 110.641 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.56 58.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.817 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.63 49.82 0.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.789 -0.719 . . . . 64.31 112.078 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG13 ' HB2' ' A' ' 38' ' ' ALA . 6.6 p -90.55 118.73 36.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.3 0.571 . . . . 73.23 111.123 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.51 133.18 34.22 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.517 -0.549 . . . . 74.22 109.517 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 24.9 p90 -143.47 140.03 30.16 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.515 0.674 . . . . 75.05 112.286 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.606 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 12.1 m120 -110.43 167.36 10.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.996 -1.113 . . . . 74.22 107.996 173.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.25 159.49 3.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.902 -0.407 . . . . 65.44 109.902 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 m -67.7 170.6 7.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.858 -0.423 . . . . 72.14 109.858 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.04 133.22 34.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.059 0.457 . . . . 73.14 109.933 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.4 mt -89.9 138.2 31.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.111 -0.495 . . . . 72.01 110.666 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.538 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 23.1 p -129.1 178.93 6.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.837 -0.62 . . . . 74.11 109.513 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -55.83 -41.73 74.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.721 0.296 . . . . 54.42 111.757 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -122.25 36.39 4.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.106 0.41 . . . . 61.34 112.106 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 p -69.28 112.45 5.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.897 -0.721 . . . . 62.21 109.25 170.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -94.94 3.98 54.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 75.35 110.438 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -146.39 148.47 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 60.44 110.725 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.574 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.2 pt? -151.35 132.32 14.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.384 0.611 . . . . 74.41 109.728 170.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.413 HG21 HH21 ' A' ' 62' ' ' ARG . 18.4 m -107.08 115.48 30.26 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.363 -0.835 . . . . 74.54 109.905 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -120.96 129.24 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.863 -0.608 . . . . 73.31 110.555 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -107.33 117.29 33.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.442 . . . . 74.11 110.826 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.07 106.94 18.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.585 -0.734 . . . . 72.13 110.341 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' O ' ' A' ' 65' ' ' PHE . 10.7 tmtt? -93.6 119.7 32.96 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.576 -0.527 . . . . 73.21 109.576 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' O ' ' HE2' ' A' ' 64' ' ' LYS . 86.3 m-85 -99.15 173.68 6.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.842 -0.617 . . . . 74.04 110.282 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -81.17 -36.66 29.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 72.55 110.459 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 35.6 m -129.17 155.76 41.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.096 -0.502 . . . . 61.31 110.042 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.412 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 1.4 m -65.51 -20.88 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 53.13 111.044 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.95 85.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.161 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 86.0 mt-10 -62.13 -33.68 74.94 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.022 0.439 . . . . 73.43 110.277 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -58.83 -54.24 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.731 . . . . 75.24 110.19 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 95.3 mt -57.27 -45.27 84.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.988 -1.005 . . . . 72.55 111.362 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.9 mt -60.03 -38.57 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.83 0.347 . . . . 73.42 110.891 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.32 -46.81 78.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.374 -0.375 . . . . 73.42 110.261 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.93 -30.96 71.25 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.028 -0.533 . . . . 62.54 111.072 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 63.7 mt -66.64 -41.63 87.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.021 0.439 . . . . 74.44 110.764 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.492 ' HD3' HD23 ' A' ' 37' ' ' LEU . 53.9 mttp -71.41 -40.5 70.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 64.0 111.217 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 p -63.68 -35.51 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.098 -0.241 . . . . 72.3 110.966 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -57.36 -44.54 84.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.859 0.361 . . . . 72.03 111.765 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 m -80.35 -34.75 36.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 112.629 0.603 . . . . 74.11 112.629 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp -80.05 -39.6 29.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.328 0.585 . . . . 63.24 110.338 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.95 85.88 2.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 74.22 110.221 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -56.94 118.42 4.94 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.23 -0.895 . . . . 74.45 110.646 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.56 21.26 2.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.672 0.749 . . . . 72.33 110.385 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.8 154.52 17.23 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.636 -1.166 . . . . 71.03 109.915 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -120.74 -9.57 9.31 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.306 -0.998 . . . . 71.42 108.306 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -92.91 175.9 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.586 -1.188 . . . . 64.44 109.855 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -83.44 -26.72 30.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.499 -0.319 . . . . 75.0 111.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.7 t60 71.8 138.09 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.7 0.625 . . . . 71.33 111.094 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -135.41 169.98 16.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.284 -0.416 . . . . 74.34 109.889 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.639 -0.696 . . . . 74.23 109.907 177.251 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.802 0.334 . . . . 74.13 110.587 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.0 166.36 16.46 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.191 -0.528 . . . . 41.45 112.008 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.78 161.73 13.9 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.5 -0.555 . . . . 73.53 109.5 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.0 164.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 72.44 109.671 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.03 -57.62 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.751 . . . . 64.22 112.735 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 53.43 -171.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.669 0.787 . . . . 73.43 112.989 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.422 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 58.6 mt -79.07 -59.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.461 -0.79 . . . . 75.21 110.727 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 64' ' ' LYS . 81.9 mt -89.58 131.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 64.23 110.365 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -84.56 166.75 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 74.15 111.3 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.24 172.72 8.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 75.43 111.933 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.6 -145.64 9.18 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.697 -0.683 . . . . 63.53 111.503 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -118.34 -8.62 10.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.358 0.599 . . . . 72.43 110.007 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.6 -0.98 23.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.275 -0.875 . . . . 73.53 109.26 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -115.56 135.46 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 63.43 110.24 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.602 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -134.22 134.64 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.758 -0.46 . . . . 72.44 109.758 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -106.69 141.54 37.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.98 0.419 . . . . 71.4 110.687 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.53 125.41 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.694 -0.685 . . . . 71.33 110.045 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -108.93 110.87 22.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.413 -0.812 . . . . 73.13 109.59 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.503 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.3 mt -99.16 142.77 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.091 -0.504 . . . . 65.13 110.718 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.85 138.95 54.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.532 -0.758 . . . . 75.3 109.011 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.4 173.1 11.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.862 0.363 . . . . 62.32 111.138 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.76 -42.21 67.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.771 -0.649 . . . . 72.02 110.541 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -131.8 165.61 23.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 74.03 110.936 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.69 -45.36 85.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.61 -0.723 . . . . 71.24 110.789 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.55 -39.56 91.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 71.14 110.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.67 88.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 63.31 110.448 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' HG ' HD23 ' A' ' 59' ' ' LEU . 9.9 tp -57.59 -50.0 74.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.621 -0.718 . . . . 64.14 109.67 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.87 -40.66 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.834 -1.075 . . . . 73.0 111.454 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -63.13 -47.62 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 71.23 111.17 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -35.4 74.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.357 -0.383 . . . . 74.41 110.782 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -55.96 -50.53 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 74.23 110.343 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.22 63.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.138 -0.937 . . . . 71.45 111.531 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.14 -41.84 81.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.64 0.257 . . . . 72.15 110.628 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -68.63 -38.78 80.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.77 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.22 -43.37 96.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.162 0.506 . . . . 75.54 110.244 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 73.11 110.881 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.27 -38.17 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.766 -0.652 . . . . 75.22 110.25 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.71 65.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 73.34 111.198 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -69.92 -22.54 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.33 111.337 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t -73.58 -24.43 60.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.135 -0.484 . . . . 52.24 109.842 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -95.07 -47.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 38.08 110.941 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.645 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 6.3 p -134.47 134.1 41.14 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.076 0.465 . . . . 73.34 110.988 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 -24.4 21.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.673 -0.694 . . . . 73.33 110.283 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 50.02 1.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.949 -0.569 . . . . 70.31 111.871 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.645 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.5 p -104.66 132.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 65.22 111.445 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -104.65 134.14 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.884 -0.784 . . . . 74.45 108.884 171.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.534 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 20.6 p90 -130.67 138.72 50.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.514 0.673 . . . . 72.45 112.141 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 8.3 m120 -107.93 154.77 21.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.077 -0.965 . . . . 74.54 108.879 174.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.95 136.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 108.512 -0.921 . . . . 62.3 108.512 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.18 176.27 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.055 0.455 . . . . 61.42 111.021 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.65 139.47 37.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.936 -0.575 . . . . 62.33 110.253 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.43 145.02 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -130.42 -169.02 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.072 -0.344 . . . . 73.11 110.072 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.41 -38.44 89.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.993 0.425 . . . . 55.3 111.225 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -121.52 29.61 7.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.477 -0.329 . . . . 65.52 111.813 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.415 ' O ' HD23 ' A' ' 27' ' ' LEU . 1.7 p -65.97 98.29 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.208 0.528 . . . . 74.42 110.664 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -97.21 5.01 50.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.216 -0.902 . . . . 74.04 109.854 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -146.4 150.26 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 64.44 110.201 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD23 ' HG ' ' A' ' 27' ' ' LEU . 1.8 pt? -155.45 154.24 31.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.438 -0.579 . . . . 75.2 109.438 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 m -115.79 117.12 29.33 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.322 -0.399 . . . . 74.11 110.335 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.01 121.08 43.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.619 . . . . 72.13 110.591 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.534 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 tpp85 -100.47 115.38 29.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.849 -0.614 . . . . 71.43 109.796 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.69 119.0 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 65.11 111.44 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -102.14 103.48 14.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.761 -0.829 . . . . 74.24 108.761 176.717 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -84.82 160.25 20.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.637 -0.505 . . . . 74.45 109.637 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -55.29 10.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.477 -0.329 . . . . 53.31 110.266 -175.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.27 161.09 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.304 . . . . 61.1 110.88 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.0 m -62.18 -29.68 70.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 71.34 111.651 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.513 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.19 -43.06 99.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 54.41 111.223 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.63 -33.52 76.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 70.32 110.586 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.602 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -60.98 -52.82 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.511 -0.768 . . . . 74.43 109.624 176.579 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -58.05 -38.83 77.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.642 -1.163 . . . . 71.33 111.605 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.9 mt -60.89 -46.74 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.774 0.321 . . . . 73.4 110.986 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -58.8 -41.2 86.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.33 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.726 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 51.8 mt-10 -67.04 -42.8 84.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.811 -0.631 . . . . 71.14 110.83 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -58.42 -40.3 82.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 120.956 0.408 . . . . 71.14 110.943 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 50.5 mtpt -71.92 -36.49 69.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 74.24 111.317 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.48 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 4.6 p -75.97 -20.57 57.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.902 0.334 . . . . 74.4 111.902 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.726 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 7.4 mmp_? -57.28 -54.63 44.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.052 0.453 . . . . 73.14 110.528 176.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -74.62 -15.33 60.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.693 -0.685 . . . . 52.11 111.505 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.48 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 13.7 tp -79.89 -42.15 24.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 121.047 0.451 . . . . 74.44 110.663 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 11.82 9.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 75.03 111.845 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -68.99 -38.52 79.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.079 -0.509 . . . . 72.32 110.872 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.52 -30.83 61.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.395 0.616 . . . . 74.54 111.038 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER -68.55 -48.79 63.36 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.646 -1.161 . . . . 61.24 110.195 -177.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -82.36 43.14 0.79 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.008 -0.997 . . . . 74.11 110.531 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.408 ' H ' ' C ' ' A' ' 85' ' ' GLU . 2.3 m170 -153.77 -50.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.574 -1.194 . . . . 72.15 108.574 175.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 -71.25 0.12 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.694 -1.139 . . . . 74.14 110.847 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -71.78 119.09 15.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.833 -0.803 . . . . 71.4 108.833 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -148.85 168.09 23.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.778 0.323 . . . . 70.35 111.212 -171.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.543 -0.741 . . . . 71.43 110.247 175.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.628 0.251 . . . . 72.32 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.34 -76.29 0.18 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.275 -0.73 . . . . 60.21 111.275 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -92.93 140.71 29.2 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.244 -0.65 . . . . 72.11 109.244 172.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.12 154.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.961 0.41 . . . . 74.52 110.281 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.89 75.5 0.35 Allowed Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.792 -0.64 . . . . 71.41 111.996 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.438 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 97.1 m-85 -71.0 -175.51 1.16 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.416 -0.392 . . . . 75.31 110.815 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.0 -54.1 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 64.55 110.282 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.479 HG22 ' HB2' ' A' ' 64' ' ' LYS . 91.5 mt -80.09 134.17 28.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.644 -0.707 . . . . 71.34 110.037 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 45.1 mtmt -82.29 173.77 11.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.85 -0.614 . . . . 61.44 111.061 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 168.81 9.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.942 -0.572 . . . . 55.22 110.412 172.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.05 171.35 31.18 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.59 -0.814 . . . . 38.32 112.611 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.11 -35.65 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.536 0.684 . . . . 71.13 110.918 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.64 13.29 28.79 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.082 -0.963 . . . . 72.44 110.981 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.95 133.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 51.5 110.8 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . . . -143.36 113.69 7.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.381 -0.372 . . . . 40.41 110.151 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.561 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 3.4 p30 -98.05 133.9 41.89 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.532 0.682 . . . . 71.35 110.742 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.46 135.53 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.056 -0.975 . . . . 54.25 109.731 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.8 m -102.44 126.78 49.58 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.704 -0.68 . . . . 74.32 110.113 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.613 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 57.3 mt -98.82 142.8 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.28 -0.873 . . . . 74.12 110.052 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.13 134.52 47.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.934 -0.575 . . . . 73.25 109.936 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -161.81 -175.35 4.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.609 -0.723 . . . . 60.11 109.972 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.96 -34.21 20.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 111.779 0.289 . . . . 74.12 111.779 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -134.92 162.22 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.831 0.308 . . . . 75.42 111.831 -173.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.697 ' HG3' ' HB3' ' A' ' 52' ' ' LEU . 79.1 tttt -54.61 -43.67 72.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.701 -0.681 . . . . 61.02 110.292 172.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -53.46 -49.23 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.903 -1.044 . . . . 75.42 111.196 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.02 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.494 . . . . 70.41 110.603 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.636 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.1 mp -55.2 -51.08 67.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.016 -0.538 . . . . 73.31 110.682 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -59.92 -38.98 83.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.945 -0.57 . . . . 62.12 111.333 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 m -63.9 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.078 0.466 . . . . 62.34 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.57 -36.8 73.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.968 -0.56 . . . . 64.33 111.342 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.74 -46.72 86.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 74.02 110.026 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.74 69.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.269 -0.878 . . . . 53.11 111.383 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -65.01 -45.94 83.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.811 0.338 . . . . 72.12 111.076 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.32 -43.71 93.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.591 . . . . 74.24 111.371 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.74 -41.53 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 75.43 110.325 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -46.14 89.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 75.21 110.384 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -37.83 77.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.737 -0.665 . . . . 72.44 110.707 177.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.43 -46.11 64.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 43.25 110.621 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 98.6 mttt -67.47 -25.96 66.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 74.23 111.117 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -70.55 -24.94 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.52 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -94.25 -39.44 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.023 0.439 . . . . 74.1 110.414 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.714 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 3.5 p -145.96 129.17 16.68 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.123 -0.49 . . . . 73.53 110.998 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.1 -15.17 36.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.014 0.435 . . . . 42.24 110.585 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.35 34.72 5.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.942 -0.646 . . . . 62.41 111.984 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.714 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -85.01 135.16 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.066 0.46 . . . . 61.02 111.083 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -104.55 124.77 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.904 -0.776 . . . . 74.25 108.904 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -136.87 147.01 46.23 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.295 0.569 . . . . 63.0 111.832 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -121.36 155.73 34.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.266 -0.879 . . . . 72.13 109.062 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.5 t -147.09 141.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.442 -0.799 . . . . 74.42 108.891 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -66.41 165.46 14.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 63.1 109.609 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.04 133.03 34.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.577 -0.527 . . . . 63.25 109.577 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.697 ' HB3' ' HG3' ' A' ' 24' ' ' LYS . 6.1 mp -94.49 133.39 38.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.725 -0.671 . . . . 65.22 110.886 -172.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 11.3 p -124.59 174.26 7.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.803 -0.635 . . . . 72.23 109.559 172.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.03 -31.92 61.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.079 0.466 . . . . 73.22 111.85 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.1 -4.65 58.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.699 -0.682 . . . . 74.32 112.372 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -75.88 116.21 16.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.071 0.462 . . . . 70.41 110.746 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -109.44 1.91 20.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.343 0.592 . . . . 55.32 109.661 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.56 154.07 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.152 -0.931 . . . . 74.44 110.119 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.636 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.0 152.86 23.27 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.602 -0.518 . . . . 71.51 109.602 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.438 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 42.0 m -114.52 119.81 38.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.098 0.475 . . . . 70.12 110.476 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.52 28.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.841 -0.618 . . . . 50.44 109.686 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.561 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 37.1 ttm180 -92.62 116.18 28.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.396 -0.365 . . . . 74.23 110.485 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.01 119.37 38.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 71.55 110.294 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HB2' HG22 ' A' ' 8' ' ' ILE . 14.4 tmtt? -107.11 116.07 31.28 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.118 -0.697 . . . . 75.32 109.118 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -98.69 -176.78 3.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.664 -0.698 . . . . 72.04 110.664 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.07 -41.22 12.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 61.1 109.954 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 164.09 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 75.32 110.568 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.7 m -67.82 -23.64 65.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 72.21 111.2 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.97 -48.38 82.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.0 -0.545 . . . . 54.04 110.796 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.49 -40.59 91.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.092 0.472 . . . . 61.12 110.237 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 3.0 tmmm? -56.42 -53.23 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.975 . . . . 71.12 109.722 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.61 -48.57 81.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.894 -1.048 . . . . 75.23 111.76 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.7 mt -61.63 -42.9 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.623 -0.262 . . . . 70.12 111.557 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.88 -44.64 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 71.44 110.136 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.703 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 25.6 mm-40 -63.59 -40.59 97.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.779 -0.646 . . . . 61.05 111.566 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.98 -40.71 96.99 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.773 0.321 . . . . 73.3 111.173 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.72 -43.05 85.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.44 111.242 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.542 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 22.3 p -66.44 -23.82 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 71.3 111.96 -175.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 16.7 mmt85 -58.6 -44.39 89.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.002 0.429 . . . . 73.01 110.616 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 m -84.24 -28.96 26.88 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.089 -0.505 . . . . 74.33 111.301 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 12.0 tp -72.09 -40.28 68.33 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.155 0.502 . . . . 44.43 110.86 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.763 ' HB1' ' HB2' ' A' ' 87' ' ' HIS . . . -83.3 14.58 3.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.047 -0.524 . . . . 51.42 111.348 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -76.61 -31.16 57.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.589 . . . . 73.21 109.613 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -94.67 -7.91 39.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.721 0.772 . . . . 72.44 110.511 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.58 -170.88 1.75 Allowed 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.252 -1.34 . . . . 71.21 108.93 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -114.95 88.98 2.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.998 0.427 . . . . 74.11 110.337 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.763 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 89.3 m-70 -147.42 119.43 8.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.256 -0.429 . . . . 75.52 110.453 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -123.95 107.52 11.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.148 0.499 . . . . 72.13 110.056 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.85 105.96 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.66 -0.7 . . . . 63.32 111.208 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -99.57 100.09 11.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.235 -1.024 . . . . 75.22 108.235 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.371 -0.823 . . . . 74.01 109.913 -173.62 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 121.048 0.451 . . . . 71.14 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.22 65.98 0.58 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.753 -0.737 . . . . 71.32 111.632 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.7 114.8 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.832 0.349 . . . . 62.4 110.972 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 mm -86.19 163.68 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 72.3 109.296 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.37 52.61 4.76 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.215 -0.517 . . . . 64.34 113.568 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -123.82 157.94 32.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.89 0.376 . . . . 75.14 110.151 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.4 mt -79.64 -36.22 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.524 . . . . 71.12 110.28 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -84.64 120.34 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.157 -0.474 . . . . 74.5 110.708 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 9' ' ' LYS . 4.2 ttmp? -82.81 161.39 22.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.542 -0.754 . . . . 70.15 110.32 -178.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.08 170.43 9.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.73 0.412 . . . . 73.04 111.04 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.58 -174.73 42.66 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.803 -0.713 . . . . 70.45 112.142 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.01 -15.6 58.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.997 0.427 . . . . 74.52 110.676 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.71 14.04 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 74.51 110.418 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 9' ' ' LYS . 47.4 t -130.07 138.27 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.793 -0.64 . . . . 74.44 111.027 -177.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . . . -156.74 140.74 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.742 -0.466 . . . . 61.11 109.742 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.699 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 18.1 p30 -107.35 150.26 26.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.417 0.627 . . . . 62.44 110.818 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 t -121.27 133.11 68.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.374 -0.83 . . . . 50.42 109.528 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -104.93 110.79 23.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.463 -0.79 . . . . 74.44 109.555 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.506 ' HB ' HD21 ' A' ' 59' ' ' LEU . 22.4 mt -99.0 143.62 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.515 . . . . 63.42 110.613 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -128.46 140.6 51.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.684 -0.689 . . . . 74.52 109.351 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -155.53 -179.43 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.682 0.277 . . . . 74.12 111.069 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.84 -42.56 90.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 62.01 111.772 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 p -146.18 169.74 18.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 72.43 111.796 -171.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -48.91 -50.81 33.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.509 -0.769 . . . . 74.55 111.086 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.05 -45.49 86.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.436 -0.802 . . . . 72.23 110.834 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.77 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 62.42 111.101 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.648 ' HG ' HD23 ' A' ' 59' ' ' LEU . 5.7 mp -56.38 -53.94 51.47 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.118 -0.492 . . . . 74.35 110.127 174.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.37 -33.69 76.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 65.45 111.947 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -64.56 -46.59 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 53.01 110.959 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -71.47 -39.25 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 73.31 110.163 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.76 -45.41 85.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.729 -0.669 . . . . 75.44 110.434 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.53 -41.23 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.251 -0.886 . . . . 72.24 111.01 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.76 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 63.43 111.143 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.03 -36.43 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.46 -0.336 . . . . 74.04 110.681 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.95 -40.99 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.22 0.533 . . . . 71.12 109.81 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -61.81 -43.3 99.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.108 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 64.05 109.954 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.07 76.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 51.34 110.701 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -64.32 -28.83 69.98 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.241 -0.436 . . . . 70.42 110.757 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -68.82 -33.8 74.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.954 -0.566 . . . . 73.44 110.262 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -86.85 -43.35 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.335 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -148.4 137.0 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.098 0.475 . . . . 41.24 110.517 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.49 -10.06 56.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.982 -0.554 . . . . 62.41 110.788 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.09 34.59 4.77 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.948 -0.644 . . . . 64.41 112.098 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.58 126.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.323 0.582 . . . . 72.45 111.307 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.13 132.8 46.42 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.142 -0.688 . . . . 71.33 109.142 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 18.6 p90 -144.34 142.21 30.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.846 0.684 . . . . 72.41 112.846 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.99 160.74 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.853 -1.067 . . . . 65.55 108.125 170.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -145.52 137.97 20.74 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 109.322 -0.621 . . . . 71.52 109.322 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.92 147.07 30.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.912 -0.773 . . . . 71.14 108.912 173.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.05 146.1 30.8 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.484 -0.486 . . . . 62.24 110.073 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 149.78 29.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.783 -0.644 . . . . 74.35 110.883 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.65 -165.95 1.11 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.441 -0.8 . . . . 73.1 109.258 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.69 -53.92 19.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.908 -0.317 . . . . 72.21 111.14 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -109.52 28.25 8.73 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 72.42 111.866 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -65.02 120.28 12.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.293 0.568 . . . . 74.12 110.774 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -119.79 8.55 11.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.112 -0.949 . . . . 72.51 108.663 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.9 142.66 30.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.182 -1.372 . . . . 75.02 109.868 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.648 HD23 ' HG ' ' A' ' 27' ' ' LEU . 2.4 pt? -146.16 152.97 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.775 0.322 . . . . 73.51 110.136 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 m -116.99 115.52 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.356 -0.383 . . . . 73.44 110.695 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.16 114.84 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.998 -0.547 . . . . 54.14 110.708 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.699 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 22.1 tpp85 -92.96 115.4 28.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.915 -0.584 . . . . 71.32 109.782 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.35 138.12 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 73.25 111.486 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -129.21 133.58 47.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.661 -0.699 . . . . 71.42 109.85 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -109.37 -177.96 3.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.332 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.88 -52.1 8.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.502 . . . . 73.42 110.022 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.1 m -115.83 155.99 17.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.252 -0.431 . . . . 53.51 110.592 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -27.16 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 64.23 111.435 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.478 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -63.07 -45.1 93.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 72.51 110.911 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 56.7 mt-10 -60.09 -36.97 78.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.155 0.502 . . . . 71.24 110.748 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.721 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -62.14 -53.68 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 74.41 109.652 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 92.3 mt -60.35 -43.12 96.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.185 -0.916 . . . . 72.04 111.525 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 69' ' ' ALA . 35.3 mm -60.91 -40.91 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 71.11 110.975 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 75.5 110.084 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.93 -39.54 94.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.791 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 82.4 mt -66.94 -43.97 81.81 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.079 -0.51 . . . . 54.43 111.506 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.74 -34.68 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.753 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 p -68.6 -29.16 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.943 -0.303 . . . . 74.35 110.795 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.9 mmt180 -59.58 -43.69 93.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.874 0.369 . . . . 72.24 111.102 175.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 m -76.06 -17.81 59.48 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.104 -0.498 . . . . 75.24 111.544 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.45 -40.29 11.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.385 0.612 . . . . 50.31 110.458 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.91 28.66 7.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.723 -0.671 . . . . 72.41 111.075 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -68.09 -18.01 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.347 0.594 . . . . 64.12 110.137 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.7 51.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 74.11 109.734 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -84.3 -166.78 1.54 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.305 -0.862 . . . . 50.04 111.831 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -120.15 5.93 10.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.581 -0.736 . . . . 64.12 110.681 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.55 -173.48 3.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.517 -0.31 . . . . 44.34 110.987 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.0 m170 71.68 -59.81 0.54 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 73.53 112.039 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 72.63 -45.73 0.63 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.779 0.831 . . . . 74.22 110.335 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -82.18 135.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.022 -0.732 . . . . 64.14 109.022 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.7 m80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.805 -1.093 . . . . 72.2 110.856 177.401 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.795 0.331 . . . . 62.1 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.48 -95.2 1.09 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.92 -0.657 . . . . 41.21 111.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -129.71 129.77 44.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.744 -0.465 . . . . 71.42 109.744 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mt -107.8 154.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.149 0.499 . . . . 62.4 110.21 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.07 47.3 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.91 -1.276 . . . . 44.44 109.91 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -113.18 165.95 11.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.945 -0.627 . . . . 73.42 110.982 -172.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.0 -50.92 78.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.704 -0.68 . . . . 72.44 110.709 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.2 132.06 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 72.53 110.624 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -80.49 -175.86 5.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.657 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.89 177.24 8.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.964 0.411 . . . . 72.41 110.853 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.41 166.44 24.4 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.95 -0.643 . . . . 71.01 111.703 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.95 -14.42 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.066 0.46 . . . . 73.5 110.204 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.96 -4.67 39.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.515 0.674 . . . . 61.42 109.489 176.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -93.83 123.65 46.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 75.44 110.269 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 38.55 110.261 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -88.42 129.38 35.44 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.177 -0.675 . . . . 73.3 109.177 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.94 138.58 53.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 121.297 0.57 . . . . 62.31 110.114 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 m -124.78 110.21 14.05 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.762 -0.653 . . . . 75.3 109.465 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -98.4 136.49 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.199 -0.667 . . . . 63.32 109.199 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -135.03 139.7 45.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.029 0.442 . . . . 74.13 111.34 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -166.64 170.01 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.176 -0.92 . . . . 54.32 108.784 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.472 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 67.9 mm-40 -86.28 -12.05 50.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.751 0.648 . . . . 74.14 112.751 -174.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.8 p -123.72 143.35 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.957 -0.297 . . . . 71.43 110.57 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.17 -35.21 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.37 0.605 . . . . 72.23 109.403 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.748 -1.114 . . . . 75.4 111.035 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.26 96.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.723 0.296 . . . . 40.4 110.601 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 21' ' ' ALA . 10.3 mp -55.12 -48.95 72.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 73.31 110.359 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.75 -29.32 69.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.68 . . . . 72.23 111.697 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.7 m -77.19 -50.3 13.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 74.13 111.089 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -64.65 -38.6 91.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.279 -0.419 . . . . 53.21 111.054 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.0 -45.46 82.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.108 0.48 . . . . 71.41 110.419 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.96 -38.79 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.199 -0.909 . . . . 54.12 111.228 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.71 -38.93 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 75.11 111.354 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 59.0 m-85 -68.63 -38.64 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.453 -0.34 . . . . 73.34 110.392 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.04 -40.76 90.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 65.45 109.991 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -57.9 -48.88 78.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.742 -0.663 . . . . 63.3 111.1 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.47 -26.73 63.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.73 -0.668 . . . . 63.23 111.355 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.43 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 45.51 110.379 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 46.6 mtmt -64.28 -29.82 70.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.688 -0.687 . . . . 75.23 110.028 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -61.53 -34.77 76.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.202 -0.908 . . . . 74.42 110.417 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.57 -53.98 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.937 -0.574 . . . . 71.12 110.23 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.607 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 10.4 p -143.07 141.17 31.2 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.083 0.468 . . . . 63.41 110.713 -174.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.47 -25.17 22.75 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.694 -0.684 . . . . 72.04 110.091 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.83 44.62 2.53 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.743 -0.662 . . . . 73.21 112.366 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.607 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -98.16 122.82 50.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.018 0.437 . . . . 75.2 110.665 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.3 135.38 36.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.257 -0.646 . . . . 73.11 109.257 175.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.482 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 38.3 p90 -143.17 145.28 32.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.838 0.827 . . . . 74.13 112.325 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.94 167.12 12.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.759 -1.109 . . . . 75.31 108.337 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.78 152.83 5.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.932 -0.396 . . . . 74.32 109.932 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.74 161.64 27.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.7 -0.481 . . . . 60.21 109.7 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.64 133.16 34.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.072 0.463 . . . . 72.44 109.773 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 52' ' ' LEU . 3.2 mm? -69.37 117.83 11.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.811 -177.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 p -91.09 -170.68 2.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.759 -0.655 . . . . 70.12 109.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.7 -34.01 64.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.864 0.32 . . . . 74.43 111.864 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -131.98 39.0 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.891 0.33 . . . . 73.03 111.891 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -65.97 113.84 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 53.43 110.359 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 35.1 mmtp -84.06 -21.31 31.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 73.14 109.839 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.24 145.88 30.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.431 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD12 HD13 ' A' ' 52' ' ' LEU . 2.4 pt? -131.55 146.8 52.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.802 -0.635 . . . . 73.22 109.398 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -106.93 124.72 50.03 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.073 -0.512 . . . . 74.51 110.445 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.13 138.39 53.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.839 -0.619 . . . . 61.2 110.074 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 32.5 ttm180 -117.11 115.41 25.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.177 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -105.36 114.27 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 74.42 110.959 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -95.35 105.96 17.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 64.32 109.954 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 95.2 m-85 -88.22 169.91 11.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.191 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.06 -56.91 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.323 0.582 . . . . 75.11 109.958 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.6 m -133.56 171.59 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.513 -0.767 . . . . 72.12 109.816 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.0 p -68.59 -22.35 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.877 0.37 . . . . 71.41 111.536 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 73.32 110.754 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -61.43 -38.04 85.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.393 0.616 . . . . 73.35 109.892 178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 30.4 ttpt -57.75 -57.25 13.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.968 -1.015 . . . . 73.44 110.511 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 68' ' ' SER . 94.6 mt -51.99 -43.35 63.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.665 -1.152 . . . . 65.41 111.651 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 75.2 mt -61.48 -46.72 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 63.31 110.47 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.59 -46.45 84.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 65.4 110.531 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 39.0 mt-10 -61.83 -37.89 86.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.905 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.53 -42.9 86.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.391 -0.368 . . . . 71.42 111.451 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 43.4 mtmt -72.89 -34.21 66.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.107 -0.237 . . . . 70.44 111.545 -177.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 p -69.55 -24.84 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.712 0.264 . . . . 74.35 111.712 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 98.8 mtt180 -59.95 -44.51 94.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.864 0.364 . . . . 74.13 110.909 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.34 -12.88 61.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.863 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 tp -95.75 -38.23 10.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.028 0.442 . . . . 75.02 110.771 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' O ' ' HB3' ' A' ' 83' ' ' ARG . . . -97.59 32.35 2.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.853 -0.612 . . . . 73.21 112.197 -172.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 82' ' ' ALA . 14.4 tpp180 72.69 131.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.604 0.716 . . . . 73.54 111.869 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -100.91 63.95 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.513 -0.767 . . . . 73.24 110.947 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' HG3' ' HB2' ' A' ' 87' ' ' HIS . 6.7 pt-20 -77.0 167.56 21.61 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.961 -0.563 . . . . 53.41 110.341 176.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.6 60.91 6.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.346 -0.613 . . . . 75.43 109.346 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 11.8 t60 -78.97 56.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.553 -0.749 . . . . 73.21 110.793 -174.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -130.98 33.97 4.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.251 -0.648 . . . . 74.44 109.251 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -142.47 138.67 31.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.747 -0.661 . . . . 74.35 109.855 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -149.02 120.87 8.15 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.71 -0.478 . . . . 74.12 109.71 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.9 m80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.502 -0.761 . . . . 71.54 109.803 175.57 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.083 -0.34 . . . . 52.34 110.083 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.55 171.23 17.66 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.208 -0.757 . . . . 62.54 111.208 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.16 145.88 25.14 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.189 0.519 . . . . 65.04 111.466 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.4 ' H ' HD13 ' A' ' 4' ' ' ILE . 2.4 mp -85.4 159.51 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.678 -0.692 . . . . 75.31 109.807 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.11 -24.66 39.99 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.009 -0.615 . . . . 62.21 113.028 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 56.4 m-85 59.23 -170.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.221 0.608 . . . . 72.13 111.836 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.48 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.7 mt -66.77 -65.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.586 -0.524 . . . . 64.14 109.586 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.2 120.92 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.305 -0.628 . . . . 72.03 109.305 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -79.38 -175.83 4.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.559 -0.746 . . . . 75.13 110.857 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.96 173.23 6.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.552 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.9 30.11 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 119.822 -1.18 . . . . 71.51 112.717 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.07 -20.46 13.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.702 0.763 . . . . 71.44 109.03 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -103.03 -4.07 25.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.558 -1.201 . . . . 72.2 109.138 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.78 126.46 55.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.267 -0.879 . . . . 55.01 110.57 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -111.95 104.4 12.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 65.04 109.48 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.7 134.75 34.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 65.25 110.155 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.71 139.66 50.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.568 -0.742 . . . . 74.52 110.575 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -109.56 116.36 31.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.203 -0.908 . . . . 73.31 109.063 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' HB ' HD23 ' A' ' 59' ' ' LEU . 14.0 mt -98.35 137.88 24.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.328 -0.396 . . . . 71.11 110.178 -174.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.8 137.93 53.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.852 -0.613 . . . . 73.43 110.407 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.513 ' HB2' HD13 ' A' ' 27' ' ' LEU . . . -160.73 160.13 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.992 -0.549 . . . . 73.51 110.131 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.03 -45.33 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.809 0.3 . . . . 74.03 111.809 -176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.5 p -107.39 151.88 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.068 -0.253 . . . . 74.02 111.127 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -61.05 -35.39 76.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.427 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.91 -43.9 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 74.42 110.481 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.82 98.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 72.52 110.509 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 21' ' ' ALA . 4.0 mp -55.28 -49.97 70.73 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.914 0.387 . . . . 72.32 110.62 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.01 -33.63 76.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 72.1 111.582 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -70.54 -50.1 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.538 -0.301 . . . . 61.24 110.958 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.27 -41.95 97.81 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.288 -0.415 . . . . 72.22 110.771 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.57 -51.22 70.84 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.903 -0.59 . . . . 50.23 109.93 178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -51.49 -50.53 59.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.968 -1.014 . . . . 73.11 111.001 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -62.21 -39.39 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 72.12 111.742 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.497 -0.319 . . . . 74.21 110.341 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.4 -37.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.272 0.558 . . . . 74.14 109.607 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 25.7 mm-40 -63.37 -41.06 98.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.765 -0.652 . . . . 74.13 110.414 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD21 ' HE3' ' A' ' 77' ' ' LYS . 2.5 tt -61.54 -38.14 86.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.694 -0.684 . . . . 75.43 109.978 174.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 43.12 110.838 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -63.25 -31.15 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.306 0.574 . . . . 72.12 110.536 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -72.41 -20.03 61.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 73.51 110.232 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -93.93 -47.16 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.735 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 t -147.36 139.83 24.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.897 0.38 . . . . 74.04 110.249 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -9.43 51.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.153 -0.476 . . . . 74.34 111.16 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.17 21.45 22.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 52.33 112.36 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.33 116.68 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.506 0.67 . . . . 73.14 111.639 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -90.85 138.1 31.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.469 -0.937 . . . . 74.33 108.469 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.521 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 55.3 p90 -142.73 155.78 44.92 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.626 -0.83 . . . . 74.22 112.781 -174.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 17.3 m120 -129.99 163.55 26.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.592 -1.185 . . . . 70.25 108.898 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.5 t -144.13 138.63 24.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.569 -0.742 . . . . 74.24 109.221 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 p -62.9 158.8 18.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 72.14 110.792 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -78.09 120.33 22.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.893 -0.594 . . . . 74.25 110.176 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 59' ' ' LEU . 94.7 mt -76.35 144.23 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.345 -0.843 . . . . 71.34 111.12 -173.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.3 p -127.14 173.08 9.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.839 -0.618 . . . . 72.14 109.776 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.63 -48.12 82.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.414 -0.357 . . . . 73.54 111.672 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -115.26 44.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.626 0.602 . . . . 50.25 112.626 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -85.93 116.73 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.547 -0.909 . . . . 70.44 108.547 165.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -91.0 -2.9 57.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.162 0.506 . . . . 74.12 110.108 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.7 162.57 40.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 70.23 109.885 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD23 ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -148.7 154.87 40.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 63.35 110.018 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.433 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 m -112.09 126.46 55.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.32 -0.4 . . . . 64.11 110.428 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.84 138.64 51.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.014 -0.539 . . . . 64.54 111.071 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.5 mmt180 -103.08 115.99 31.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.879 -0.6 . . . . 52.05 109.582 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.21 105.8 15.0 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.722 -0.391 . . . . 74.2 110.18 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -100.16 116.16 31.52 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.26 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -99.11 -171.3 2.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.011 -0.541 . . . . 75.32 110.073 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -87.31 -49.38 7.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.038 0.447 . . . . 75.12 110.51 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.41 157.01 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.885 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 m -62.66 -19.83 64.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 65.15 111.716 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -68.06 -37.96 81.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 65.21 111.105 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.34 -32.08 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.013 -0.539 . . . . 74.42 110.628 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.512 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 58.5 tttp -54.88 -59.39 4.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.839 0.828 . . . . 52.23 110.004 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -55.04 -47.56 74.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.092 -1.413 . . . . 75.15 111.698 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.8 mt -57.83 -45.59 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.738 0.304 . . . . 74.12 111.205 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.59 -44.86 95.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.411 . . . . 60.41 110.661 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.09 -28.96 69.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 71.05 111.216 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.72 -47.78 36.86 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.848 0.356 . . . . 73.45 111.314 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.457 ' HE3' HD21 ' A' ' 37' ' ' LEU . 32.5 mtmt -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 71.33 111.531 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -66.8 -31.23 71.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.599 0.238 . . . . 54.4 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 3.9 mmp_? -62.04 -44.05 97.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.855 0.359 . . . . 64.51 111.247 178.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -82.49 -12.78 57.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.297 -0.41 . . . . 72.24 111.411 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 tp -93.49 -41.84 9.57 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.064 0.459 . . . . 64.35 110.544 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.0 16.91 19.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.9 -0.591 . . . . 72.05 111.339 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.749 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -167.71 162.98 14.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.73 -0.841 . . . . 70.11 108.73 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.26 33.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 74.14 110.856 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HG3' ' HB3' ' A' ' 83' ' ' ARG . 52.9 mt-10 -83.92 156.27 22.44 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.973 0.892 . . . . 62.33 111.913 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -164.12 94.44 0.74 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.749 -1.568 . . . . 75.52 108.473 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -46.2 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 73.32 110.655 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 61.94 90.58 0.07 Allowed 'General case' 0 CA--C 1.529 0.16 0 O-C-N 123.79 0.681 . . . . 72.05 111.606 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -150.47 -64.84 0.2 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.459 -0.571 . . . . 73.51 109.459 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 69.58 140.85 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.258 0.974 . . . . 75.24 110.985 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.1 t60 . . . . . 0 C--O 1.249 1.035 0 N-CA-C 108.866 -0.79 . . . . 74.4 108.866 175.733 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.458 -0.201 . . . . 71.3 110.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.4 144.62 9.08 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.973 -0.632 . . . . 62.03 112.462 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.7 133.73 55.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.648 -0.501 . . . . 72.04 109.648 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -90.47 163.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.172 0.51 . . . . 73.23 110.468 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.37 42.97 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.198 -1.161 . . . . 64.23 110.198 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.561 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 62.0 m-85 -110.27 174.28 5.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.929 -0.636 . . . . 73.31 110.994 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -75.39 -52.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.734 -0.666 . . . . 74.32 110.212 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.35 131.08 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 71.45 110.438 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.653 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 13.0 tmtt? -81.43 155.94 25.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.082 -0.508 . . . . 75.0 110.057 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.653 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 4.1 tm-20 -53.83 162.76 0.84 Allowed 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 115.259 -0.882 . . . . 71.14 111.594 176.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.8 -177.55 43.08 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.391 -0.909 . . . . 40.15 112.816 -176.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.27 -40.2 96.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.243 0.544 . . . . 72.42 110.847 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.15 6.1 49.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.47 -0.786 . . . . 70.43 110.36 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -109.97 139.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.389 -0.823 . . . . 75.22 110.509 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB1' ' HG3' ' A' ' 71' ' ' LYS . . . -135.64 138.65 43.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.348 . . . . 72.14 110.422 175.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.95 138.38 35.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.062 0.458 . . . . 74.53 110.013 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.19 129.25 75.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.642 -0.708 . . . . 73.05 109.127 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 m -115.53 114.19 24.65 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.883 -0.598 . . . . 72.32 110.119 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 14.4 mt -97.95 134.8 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.037 -0.727 . . . . 73.24 109.037 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.579 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 29.2 p90 -140.42 140.95 35.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.026 -0.534 . . . . 75.41 110.621 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.32 -171.31 1.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.498 -0.773 . . . . 72.41 109.841 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.98 -15.17 23.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.708 -0.224 . . . . 63.41 111.261 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -130.22 143.75 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 74.51 111.542 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.544 ' HD2' ' HA ' ' A' ' 54' ' ' GLU . 68.1 tttt -59.89 -38.95 83.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.499 0.666 . . . . 74.21 109.328 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.49 -45.29 66.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 70.21 111.495 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.47 91.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 55.25 110.251 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 59' ' ' LEU . 9.9 mp -54.72 -50.61 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 75.51 110.669 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.88 -41.57 98.03 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.024 -0.535 . . . . 75.3 111.526 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 m -63.92 -45.33 89.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 72.2 110.997 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -72.19 -37.9 69.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 116.043 -0.526 . . . . 74.33 111.119 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.2 tp -57.18 -48.52 78.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.143 0.497 . . . . 55.14 109.917 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.93 -44.1 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.116 -0.947 . . . . 61.34 111.111 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.34 -41.6 96.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.765 0.317 . . . . 51.21 110.916 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.34 -36.53 79.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.833 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 HG21 ' HE3' ' A' ' 39' ' ' LYS . 78.0 mt -66.68 -36.57 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.484 . . . . 61.14 109.769 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -65.75 -43.73 88.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.758 -0.655 . . . . 63.51 111.309 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 HD13 HD22 ' A' ' 81' ' ' LEU . 64.5 mt -66.37 -34.09 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.854 0.359 . . . . 75.03 110.317 175.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.42 83.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 64.3 110.616 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HE3' HG21 ' A' ' 35' ' ' ILE . 92.1 mttt -65.37 -45.0 85.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.298 -0.41 . . . . 75.53 110.881 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 m -63.12 -31.36 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 63.24 111.177 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 37' ' ' LEU . 91.4 t -85.68 -39.27 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.378 -0.374 . . . . 43.41 111.195 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.3 t -145.96 116.3 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.847 0.356 . . . . 54.53 110.488 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.76 87.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.25 -0.432 . . . . 64.11 111.046 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.83 55.65 0.5 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.975 -0.631 . . . . 62.43 111.749 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.3 p -72.4 128.7 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 63.1 111.506 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -93.27 122.98 36.23 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.086 -0.506 . . . . 70.24 109.641 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 39.1 p90 -144.8 150.66 37.55 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.683 -0.69 . . . . 75.31 112.111 -176.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.51 167.62 13.14 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.134 -1.062 . . . . 73.23 108.134 172.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -157.77 148.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.806 0.336 . . . . 74.12 110.533 -176.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.47 156.48 39.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.077 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -95.84 129.15 43.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.366 0.603 . . . . 62.22 109.403 177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD13 ' HE3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -116.65 162.65 17.32 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.619 -0.719 . . . . 63.43 112.284 -172.265 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.0 p -114.35 -166.54 1.11 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.017 -0.992 . . . . 50.03 108.751 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 2.6 mp0 -79.62 -12.75 59.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.861 0.362 . . . . 65.21 110.807 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.96 -5.51 24.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 72.1 112.134 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.7 m -69.27 122.4 18.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.141 0.496 . . . . 63.05 110.85 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.579 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 87.8 mttt -95.39 -9.8 31.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.87 -0.604 . . . . 72.23 110.739 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.516 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.4 pt-20 -143.57 150.86 39.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.847 0.356 . . . . 72.35 111.239 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 HD22 ' A' ' 27' ' ' LEU . 2.7 pt? -149.74 148.55 29.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.976 -0.75 . . . . 62.01 108.976 170.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.561 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 57.4 m -110.64 118.84 37.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.365 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.52 122.91 48.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.898 -0.592 . . . . 73.35 109.942 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 36.4 ttm180 -104.54 115.9 31.15 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.947 -0.569 . . . . 71.1 110.351 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.74 135.7 53.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 74.25 111.846 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -123.79 120.06 31.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.822 -0.807 . . . . 75.53 108.822 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.13 -169.87 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 74.41 111.5 -171.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.604 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 24.3 mm-40 -47.85 -55.04 10.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.587 -0.733 . . . . 74.43 110.512 178.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' HG2' ' A' ' 70' ' ' GLU . 21.8 m -144.42 175.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.249 -0.887 . . . . 63.4 109.11 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -67.79 -23.38 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 74.22 111.756 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.91 85.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.073 -0.512 . . . . 74.45 110.979 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.604 ' HG3' ' HB2' ' A' ' 66' ' ' GLU . 7.9 mm-40 -64.13 -32.62 74.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 52.04 110.218 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HG3' ' HB1' ' A' ' 15' ' ' ALA . 22.7 ttmt -53.42 -58.53 6.8 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.574 0.702 . . . . 54.42 109.842 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 91.0 mt -50.78 -47.76 59.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.096 -1.411 . . . . 63.33 111.316 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.507 HG22 ' HE2' ' A' ' 77' ' ' LYS . 63.4 mt -60.96 -43.78 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 53.12 111.158 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -62.3 -47.95 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 64.42 110.215 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 5.8 mm-40 -55.18 -47.21 75.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 63.1 110.487 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 56.7 mt -58.18 -45.7 87.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.041 -0.527 . . . . 74.11 111.647 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HE2' HG22 ' A' ' 73' ' ' ILE . 55.8 mtmt -73.57 -32.33 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.518 -0.31 . . . . 73.35 111.335 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.3 m -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.751 0.31 . . . . 74.23 110.599 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 79' ' ' ARG . 11.8 mmt180 -57.9 -44.9 87.04 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.732 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 m -67.23 -37.6 83.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.988 -0.551 . . . . 64.31 111.502 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 HD22 HD13 ' A' ' 37' ' ' LEU . 12.7 tp -70.77 -40.1 72.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.299 -0.41 . . . . 60.4 110.427 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.51 9.15 14.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 60.41 111.612 -176.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -103.26 -46.94 4.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.314 -0.403 . . . . 65.51 110.577 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -112.21 11.65 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.184 0.516 . . . . 72.41 110.787 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 52.33 -157.36 0.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.855 -1.066 . . . . 55.23 110.916 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.21 85.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.018 0.437 . . . . 65.04 110.163 174.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -86.44 135.0 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.286 -0.635 . . . . 74.42 109.286 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -122.25 119.07 30.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.111 0.481 . . . . 75.55 111.964 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -134.56 -1.84 2.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.366 -0.834 . . . . 64.42 108.832 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -163.95 141.95 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.216 -0.902 . . . . 74.0 109.69 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.374 -0.822 . . . . 74.11 109.861 177.16 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.939 0.4 . . . . 72.43 109.974 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.94 51.42 0.64 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.978 -0.849 . . . . 45.54 110.978 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.69 134.47 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.489 . . . . 73.33 110.534 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.437 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -101.13 164.73 2.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.542 -0.754 . . . . 74.21 110.779 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.41 49.52 4.24 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.979 -0.629 . . . . 60.14 113.289 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' HD1' ' HB ' ' A' ' 4' ' ' ILE . 61.1 m-85 -108.51 157.67 18.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.719 -0.474 . . . . 73.42 109.719 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.3 -54.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.932 0.396 . . . . 61.41 110.539 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.567 HD13 ' HG2' ' A' ' 64' ' ' LYS . 77.3 mt -82.43 133.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.071 -0.513 . . . . 74.15 110.475 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -95.99 -175.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.76 . . . . 65.23 110.961 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -71.13 165.45 23.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.214 -0.448 . . . . 75.01 111.271 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.44 -164.77 34.15 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.335 -0.706 . . . . 61.21 111.335 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.54 -25.94 14.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.789 0.804 . . . . 71.05 109.26 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 1.2 pm0 -98.86 -0.33 42.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.49 -1.232 . . . . 71.21 110.092 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG21 ' HG2' ' A' ' 13' ' ' GLU . 37.0 t -125.41 133.54 69.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 61.14 110.589 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 71' ' ' LYS . . . -141.47 151.88 43.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.366 -0.379 . . . . 72.13 110.269 178.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 5.9 p-10 -104.98 133.61 49.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.425 0.631 . . . . 75.33 110.238 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 t -120.46 128.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.327 -0.851 . . . . 62.13 109.704 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 57.5 m -111.15 117.53 33.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.193 -0.912 . . . . 64.24 109.258 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 55.5 mt -97.43 144.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.168 -0.469 . . . . 75.33 109.783 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.34 138.41 54.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.035 -0.529 . . . . 74.41 110.367 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB1' HD13 ' A' ' 27' ' ' LEU . . . -165.92 160.19 16.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.23 -0.895 . . . . 70.04 108.904 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.28 -36.45 27.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.962 0.356 . . . . 60.31 111.962 -174.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -110.65 144.88 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.699 -0.228 . . . . 65.13 111.07 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -55.97 -43.11 77.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.956 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.26 -46.3 69.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.492 -0.776 . . . . 75.33 110.945 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.69 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.48 -0.327 . . . . 64.31 110.744 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' HB1' ' A' ' 21' ' ' ALA . 5.9 mp -54.23 -53.87 47.69 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.338 0.59 . . . . 73.11 110.137 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.04 -31.06 70.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.189 -0.914 . . . . 72.14 112.141 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -74.71 -46.82 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.507 0.194 . . . . 64.11 111.191 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -68.87 -34.65 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.042 0.449 . . . . 37.28 109.842 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.33 -50.27 59.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.406 -0.816 . . . . 73.5 110.347 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.56 71.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.004 -0.998 . . . . 51.11 111.303 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.63 -35.43 80.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 75.54 111.021 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.23 -39.22 78.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.33 -0.395 . . . . 75.11 110.564 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.6 mt -65.09 -40.56 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.915 -0.402 . . . . 72.21 109.915 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -59.98 -45.38 92.89 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.861 -0.609 . . . . 52.43 110.981 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -33.61 76.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 51.11 109.955 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.07 76.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.152 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.96 -30.81 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 74.43 110.762 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -65.88 -30.44 71.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.663 -0.698 . . . . 52.53 110.703 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.3 t -93.99 -45.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 61.15 111.029 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.6 t -134.28 125.54 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.168 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.15 -7.5 59.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.973 -0.558 . . . . 65.11 110.92 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.32 34.85 4.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.693 -0.765 . . . . 41.23 112.12 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.74 124.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 61.32 111.312 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -110.11 151.31 27.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.522 -0.763 . . . . 71.55 109.268 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.561 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 51.5 p90 -143.79 150.92 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.119 0.785 . . . . 70.54 113.119 -176.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.472 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 12.8 m120 -115.08 168.79 9.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.365 -1.289 . . . . 72.04 107.702 169.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.3 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.693 -0.403 . . . . 62.41 110.757 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.91 168.19 14.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 65.44 109.679 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.48 133.36 34.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.967 0.413 . . . . 65.24 109.91 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 52' ' ' LEU . 6.7 mp -86.34 157.24 19.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 73.24 110.776 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.7 p -133.2 -171.95 2.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.758 -0.656 . . . . 64.41 109.655 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.14 -28.16 29.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 71.13 109.804 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -97.49 -4.22 38.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.955 -1.02 . . . . 74.11 111.988 -175.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 p -76.12 115.84 16.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.98 0.419 . . . . 72.12 111.332 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -97.44 9.92 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 53.44 109.558 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.1 pt-20 -150.12 154.06 37.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 73.12 110.356 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD23 HD22 ' A' ' 27' ' ' LEU . 2.6 pt? -150.61 141.87 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.639 -0.504 . . . . 74.44 109.639 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.1 m -104.27 120.62 41.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.475 . . . . 73.14 110.549 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.17 55.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.91 -0.586 . . . . 72.04 110.464 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.561 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 23.9 tpp180 -93.09 114.92 27.58 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.353 -0.61 . . . . 72.42 109.353 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -109.43 126.01 53.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.795 0.331 . . . . 74.55 111.265 -177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' A' ' 8' ' ' ILE . 9.4 ptmt -112.33 131.01 55.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.256 -0.646 . . . . 73.55 109.256 171.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.48 169.48 8.83 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.195 -0.668 . . . . 64.51 109.195 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -49.6 67.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.68 -0.489 . . . . 74.33 109.68 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.14 163.42 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.031 -0.531 . . . . 71.33 110.442 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.539 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 19.5 m -68.5 -26.03 65.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.085 0.469 . . . . 73.12 111.189 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.06 79.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 74.34 111.01 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 71.2 110.605 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.717 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 11.9 ttpt -66.06 -50.24 64.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.161 -0.681 . . . . 72.02 109.161 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 68' ' ' SER . 87.4 mt -52.0 -49.96 62.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.513 -1.221 . . . . 72.42 111.747 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.24 -47.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 63.12 110.937 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.1 -51.01 70.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 73.55 110.454 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 9.9 mm-40 -60.27 -30.3 69.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 71.14 111.675 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.96 -39.97 65.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.977 0.417 . . . . 73.21 110.964 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -79.39 -29.16 41.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.132 -0.486 . . . . 75.41 111.7 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 p -69.54 -35.47 75.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.934 -0.307 . . . . 74.3 110.961 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.0 mmp_? -57.43 -44.4 84.66 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.17 0.51 . . . . 72.42 110.647 175.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -77.17 -19.96 56.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.666 -0.697 . . . . 64.42 111.403 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.55 -42.54 16.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.252 -0.431 . . . . 65.21 110.281 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.38 15.43 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 73.1 111.277 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.871 ' HG2' ' HG2' ' A' ' 85' ' ' GLU . 52.0 ttt180 -74.79 -56.73 4.48 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.379 -0.828 . . . . 75.34 109.815 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.1 mt 52.92 34.54 16.98 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.405 0.891 . . . . 75.11 113.405 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.871 ' HG2' ' HG2' ' A' ' 83' ' ' ARG . 12.8 pt-20 -122.25 -167.32 1.54 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.769 0.319 . . . . 74.3 110.368 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -79.42 142.76 35.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.277 -0.42 . . . . 73.04 110.162 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -83.26 38.84 0.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.242 0.46 . . . . 53.32 112.242 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -142.71 56.95 1.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.005 -0.739 . . . . 72.11 109.005 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -168.34 86.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.797 -0.638 . . . . 73.12 110.859 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -103.28 -33.66 9.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.955 -0.757 . . . . 74.21 108.955 173.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.385 -0.825 . . . . 64.45 109.435 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.652 0.263 . . . . 73.14 110.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.8 56.26 0.41 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.871 -0.892 . . . . 71.43 110.871 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.52 136.96 35.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.442 -0.379 . . . . 70.32 110.285 -174.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.85 165.63 2.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.388 -0.369 . . . . 73.35 110.525 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.78 40.25 0.13 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.159 -0.777 . . . . 54.12 111.159 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -85.28 -175.96 5.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.158 -0.521 . . . . 71.43 111.149 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.41 -49.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 74.02 109.889 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.32 130.54 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.762 -0.654 . . . . 73.13 110.079 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -76.31 174.69 9.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.784 -0.644 . . . . 73.22 111.161 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.15 163.16 26.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.791 -0.64 . . . . 72.42 110.714 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.17 172.46 45.16 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.264 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.57 -23.24 42.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 72.33 110.686 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.27 4.12 33.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 74.31 110.484 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.87 139.28 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.865 -0.607 . . . . 64.14 110.563 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.16 114.57 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.863 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 p30 -101.02 129.29 46.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 53.23 110.63 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.26 142.08 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 64.15 110.435 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 m -105.33 110.18 22.44 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.733 -0.667 . . . . 75.45 110.198 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 53.6 mt -99.73 143.37 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 62.05 109.391 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -141.35 143.57 34.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 64.35 111.602 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -169.87 163.26 9.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.205 -0.907 . . . . 53.04 109.463 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.29 -28.25 53.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.283 0.475 . . . . 75.51 112.283 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -115.49 147.68 40.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.623 0.249 . . . . 73.34 111.38 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -62.87 -36.05 82.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.32 0.581 . . . . 45.34 110.093 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.06 -43.8 82.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.958 . . . . 74.44 110.923 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.39 91.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 72.2 110.38 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 21' ' ' ALA . 6.5 mp -55.33 -53.56 54.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.381 -0.372 . . . . 71.41 110.431 175.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.757 -0.656 . . . . 74.23 111.823 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -65.15 -50.42 66.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.876 0.369 . . . . 74.54 110.917 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.97 -37.02 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 71.33 110.311 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.74 -50.92 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.567 -0.742 . . . . 64.33 110.329 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.54 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 72.15 111.406 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.97 -41.4 91.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.939 0.4 . . . . 74.14 110.794 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -41.89 98.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.699 . . . . 71.11 110.547 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.75 -41.19 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 75.43 110.773 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.76 -37.54 87.94 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.276 -0.42 . . . . 70.04 110.801 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -38.72 91.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 61.21 109.759 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.07 38.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 42.13 111.458 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 68.2 mttm -68.58 -21.32 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 65.12 111.807 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -70.72 -21.05 62.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 72.15 110.505 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.54 -52.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.606 -0.516 . . . . 72.22 109.606 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 37.0 t -122.18 100.95 7.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.665 -0.698 . . . . 74.31 109.185 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.02 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 73.42 111.46 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.77 39.66 3.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.956 -0.64 . . . . 72.54 112.763 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.59 127.52 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.083 0.468 . . . . 73.42 110.245 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.78 144.96 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.442 -0.577 . . . . 61.11 109.442 176.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.592 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.7 p90 -139.2 154.55 48.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.766 0.793 . . . . 74.35 112.017 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.51 166.62 15.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.216 -1.357 . . . . 53.13 108.342 168.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.94 142.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 116.056 -0.52 . . . . 74.14 110.177 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -69.66 163.57 25.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.067 -0.515 . . . . 75.31 110.074 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -92.97 132.59 36.94 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.67 -0.493 . . . . 75.3 109.67 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -88.18 120.56 29.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.707 -0.679 . . . . 62.15 111.042 -171.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -92.51 -164.54 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 64.54 111.344 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.06 -56.12 26.3 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.715 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -103.05 45.92 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 71.13 111.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -71.6 96.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.281 0.562 . . . . 63.23 109.82 172.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -106.84 16.76 23.99 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.307 -0.861 . . . . 70.14 108.927 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.3 pt-20 -167.02 154.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.525 -1.216 . . . . 71.34 109.755 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.06 150.55 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.727 -0.471 . . . . 65.21 109.727 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.7 m -108.87 118.03 35.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.029 0.442 . . . . 71.24 110.566 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.77 118.07 35.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 74.4 110.15 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.592 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 29.8 ttm180 -100.82 118.02 36.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.4 -0.364 . . . . 74.34 110.967 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.27 126.7 52.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.325 -0.398 . . . . 54.41 110.66 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -106.17 117.19 33.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.563 -0.532 . . . . 70.42 109.563 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.59 175.78 6.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.207 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.72 -43.98 24.55 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.485 -0.561 . . . . 65.42 109.485 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.98 155.5 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.688 -0.687 . . . . 75.32 109.98 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 15.9 m -65.57 -17.95 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 72.44 111.593 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.84 -38.33 86.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.07 -0.514 . . . . 65.44 110.379 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -66.38 -34.09 77.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 74.53 110.238 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 56.9 tttp -55.82 -59.94 4.17 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.633 -0.712 . . . . 70.24 109.686 174.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.8 mt -54.78 -47.89 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.485 -1.234 . . . . 74.11 111.558 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -57.81 -47.56 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.864 0.364 . . . . 63.32 111.058 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.033 0.444 . . . . 75.51 110.811 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 75.9 mt-10 -68.75 -28.73 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 74.3 110.883 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 49.2 mt -69.36 -43.26 73.98 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.866 0.365 . . . . 72.21 110.89 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.24 -41.18 77.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.162 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -68.63 -20.5 64.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 74.22 111.54 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 76' ' ' LEU . 9.9 mmm180 -59.05 -43.77 91.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.978 0.418 . . . . 54.32 110.807 174.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -77.63 -41.64 37.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.831 -0.622 . . . . 74.25 112.043 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp -73.78 -42.81 60.49 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 121.119 0.485 . . . . 74.12 110.43 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.41 76.12 0.96 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.751 0.786 . . . . 62.03 110.294 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -94.59 3.27 55.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.352 -0.84 . . . . 64.14 109.585 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.65 6.15 48.39 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.362 -0.836 . . . . 75.34 110.494 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -122.52 -175.69 3.2 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.702 -1.135 . . . . 71.34 109.277 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -120.51 76.22 1.17 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.494 0.664 . . . . 72.52 109.722 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.455 ' HE2' ' HG2' ' A' ' 75' ' ' GLU . 4.4 t60 -76.25 100.52 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.854 -1.066 . . . . 75.44 110.391 -175.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -96.98 146.26 25.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 73.53 110.806 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.19 106.01 18.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.734 -0.469 . . . . 64.03 109.734 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -76.19 116.93 17.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.803 0.335 . . . . 73.31 110.25 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.559 -0.734 . . . . 73.44 109.502 175.307 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.185 -0.302 . . . . 73.04 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.9 108.56 0.51 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.912 -0.661 . . . . 70.12 111.866 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.23 137.81 55.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 60.34 110.823 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.542 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 1.2 pt -135.29 160.43 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 115.574 -0.739 . . . . 74.12 110.288 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.48 59.96 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.251 -0.5 . . . . 51.34 112.691 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.542 ' HD1' ' HB ' ' A' ' 4' ' ' ILE . 69.8 m-85 -115.87 175.64 5.45 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.559 -0.321 . . . . 74.31 110.263 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.38 -50.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 71.34 110.417 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 ' HG2' ' A' ' 64' ' ' LYS . 73.9 mt -80.14 120.42 31.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.719 0.771 . . . . 74.22 110.513 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' O ' HG11 ' A' ' 14' ' ' VAL . 89.5 mttt -94.06 -178.11 4.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.831 -1.077 . . . . 63.44 110.007 -178.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.55 164.36 26.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.029 0.442 . . . . 73.5 111.844 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.7 162.96 30.45 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.038 -0.825 . . . . 62.44 111.038 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 71.34 110.426 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -114.82 9.86 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.994 -0.548 . . . . 63.24 110.521 176.244 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 9' ' ' LYS . 43.5 t -109.88 124.67 66.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.499 -0.319 . . . . 73.13 110.638 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB3' ' HG3' ' A' ' 71' ' ' LYS . . . -129.66 126.39 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.908 0.385 . . . . 72.24 111.074 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.642 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.6 p30 -101.84 145.0 29.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.39 176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.12 132.54 71.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.656 -0.702 . . . . 55.43 109.716 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 m -105.83 109.62 21.64 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.821 . . . . 73.53 108.797 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.443 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 33.0 mt -98.84 142.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.02 -0.537 . . . . 74.3 110.419 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -121.97 140.66 52.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.889 -0.596 . . . . 71.42 110.081 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.05 167.96 24.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.113 -0.494 . . . . 73.32 109.922 173.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.04 -40.53 62.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.615 0.245 . . . . 73.35 110.923 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.6 p -131.39 170.63 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.326 -0.397 . . . . 73.53 110.721 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.08 -43.01 99.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.53 -0.304 . . . . 72.22 110.937 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.28 -48.39 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.268 -0.424 . . . . 71.44 111.254 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.74 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.559 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.582 ' HG ' HD21 ' A' ' 59' ' ' LEU . 6.9 tp -59.39 -49.99 75.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.824 -0.625 . . . . 74.12 110.169 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.0 -37.17 81.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 74.35 111.457 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.5 m -69.04 -44.86 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.035 0.445 . . . . 62.34 110.902 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.58 -46.84 86.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 62.32 110.577 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.79 -51.24 61.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.588 -0.733 . . . . 75.21 111.175 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 -31.41 63.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.271 -0.877 . . . . 37.47 111.7 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -74.82 -40.12 61.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.532 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.5 -33.1 70.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.375 -0.375 . . . . 71.3 110.899 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.513 HG23 ' HE2' ' A' ' 39' ' ' LYS . 70.4 mt -67.67 -35.86 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 71.23 110.047 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.18 -46.61 88.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.362 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.25 -37.97 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.803 -0.635 . . . . 63.54 110.175 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.16 -47.26 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 71.4 111.304 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' ' 35' ' ' ILE . 58.3 mtmt -69.28 -22.72 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 62.14 111.249 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -70.53 -23.39 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.334 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.82 -44.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.191 0.519 . . . . 52.12 110.475 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.656 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 5.0 p -138.98 126.03 21.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.008 -0.542 . . . . 61.03 110.646 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -24.69 25.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 65.31 110.299 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.39 49.79 1.03 Allowed Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.871 -0.604 . . . . 61.13 111.66 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.656 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 11.6 p -99.68 133.83 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.772 0.32 . . . . 73.42 110.521 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.405 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . 11.8 mp0 -97.64 135.88 38.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 63.21 109.366 172.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 33.6 p90 -142.33 150.92 41.4 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.117 0.484 . . . . 75.32 111.259 178.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.81 160.78 20.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.926 -0.768 . . . . 63.21 108.926 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.04 139.34 37.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.558 -0.746 . . . . 71.32 109.198 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.5 161.61 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.958 -0.386 . . . . 71.13 109.958 177.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.18 128.08 34.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 74.21 109.218 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.79 122.13 26.24 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.86 -0.422 . . . . 73.22 109.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 p -84.55 -167.02 1.63 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.783 -0.644 . . . . 72.41 110.071 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -81.5 -39.05 25.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.47 0.652 . . . . 73.3 109.261 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.672 ' HB3' ' HZ2' ' A' ' 57' ' ' LYS . 66.5 mm-40 -107.09 33.99 3.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.944 -1.025 . . . . 74.41 111.318 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -70.31 102.15 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.049 0.452 . . . . 73.13 111.245 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.672 ' HZ2' ' HB3' ' A' ' 55' ' ' GLU . 3.9 mppt? -98.38 4.26 48.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.2 -0.667 . . . . 73.02 109.2 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -156.15 157.89 36.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.34 -0.846 . . . . 63.13 110.19 179.371 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD21 ' HG ' ' A' ' 27' ' ' LEU . 2.1 pt? -157.05 157.11 34.0 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.341 -0.614 . . . . 70.2 109.341 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -113.27 115.36 28.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.905 0.383 . . . . 74.51 110.705 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.82 117.19 30.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.014 -0.539 . . . . 71.41 109.769 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.642 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 34.6 ttm180 -108.74 123.03 48.37 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.782 -0.367 . . . . 72.15 111.37 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -107.57 125.22 51.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.51 -0.768 . . . . 73.54 109.68 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.533 ' HG2' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -104.73 123.61 47.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.51 0.672 . . . . 74.0 109.824 174.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' HD2' ' O ' ' A' ' 13' ' ' GLU . 87.1 m-85 -92.34 178.74 5.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.344 -0.844 . . . . 75.55 109.452 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.86 -40.29 11.84 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.755 0.312 . . . . 71.24 110.695 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.426 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 29.2 m -125.87 152.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.292 -0.413 . . . . 63.11 110.441 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -61.84 -23.74 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 73.02 111.826 -176.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.96 73.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 71.34 111.148 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 52.0 mt-10 -68.42 -32.76 73.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.031 -0.531 . . . . 72.34 110.874 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HG3' ' HB3' ' A' ' 15' ' ' ALA . 36.3 ttmt -61.05 -57.07 14.14 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.263 0.554 . . . . 71.31 109.931 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -50.13 -44.13 52.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.391 -1.277 . . . . 71.41 111.581 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.52 -52.69 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.524 -0.307 . . . . 73.13 110.856 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.32 -49.81 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 73.11 110.621 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.9 -37.81 74.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 62.34 111.267 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.79 -39.41 76.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.801 0.334 . . . . 74.22 111.185 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.09 -39.75 71.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 72.51 111.092 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.4 p -65.14 -40.83 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 63.4 110.821 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -59.99 -44.59 94.41 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.488 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 m -73.59 -22.47 60.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.118 -0.492 . . . . 74.23 111.433 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 tp -79.72 -39.28 31.49 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.445 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.71 66.33 5.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.336 0.588 . . . . 74.12 110.064 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -164.23 167.56 19.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.357 -0.838 . . . . 74.35 109.884 -175.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -82.56 36.43 0.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.849 0.357 . . . . 64.31 111.814 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 68.69 176.81 0.27 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.469 -0.787 . . . . 53.5 112.579 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 64.46 -179.63 0.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.655 -1.157 . . . . 71.53 112.056 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t60 64.62 81.01 0.22 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.678 -0.692 . . . . 72.42 111.033 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -139.38 58.17 1.63 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.997 -0.547 . . . . 75.24 110.144 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.6 t60 56.76 81.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.624 -0.716 . . . . 74.13 109.875 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -69.93 129.81 40.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 73.51 111.705 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.245 0.834 0 CA-C-N 115.272 -0.876 . . . . 72.31 108.834 173.593 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.111 -0.329 . . . . 54.22 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.7 124.76 5.79 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.64 -0.79 . . . . 53.41 112.569 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.54 146.26 24.72 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.495 -0.557 . . . . 75.14 109.495 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.4 mt -115.96 163.04 13.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.614 -0.513 . . . . 74.44 109.614 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.43 45.31 2.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.324 -0.465 . . . . 65.45 113.537 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -79.91 166.04 22.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.057 -0.349 . . . . 75.01 110.057 175.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.97 -41.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.399 0.619 . . . . 55.14 109.639 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.596 HD11 ' HG2' ' A' ' 64' ' ' LYS . 95.1 mt -92.21 126.85 44.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.321 -0.854 . . . . 63.45 110.693 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' HG12 ' A' ' 14' ' ' VAL . 20.5 pttm -93.37 166.15 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.738 -0.665 . . . . 73.41 110.929 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.37 165.85 7.15 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.868 0.73 . . . . 75.13 111.819 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.22 -160.04 27.61 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.532 -0.627 . . . . 73.34 111.532 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.6 ' HB3' ' HG ' ' A' ' 68' ' ' SER . 2.4 m-20 -90.34 -27.72 19.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.418 0.628 . . . . 73.34 109.942 178.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.48 3.08 45.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.164 -0.926 . . . . 72.03 109.914 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 9' ' ' LYS . 57.4 t -107.98 142.35 20.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.55 -0.75 . . . . 73.33 110.999 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' LYS . . . -161.46 116.55 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 75.22 109.883 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.703 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.2 p30 -90.54 143.48 26.7 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.231 0.538 . . . . 75.14 110.063 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -113.98 125.14 71.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 115.192 -0.913 . . . . 75.24 109.513 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 m -98.53 111.36 23.75 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.844 -1.071 . . . . 74.43 108.816 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.54 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 15.8 mt -98.17 136.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.607 -0.516 . . . . 73.13 109.607 -176.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 7.2 p90 -135.89 135.92 40.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.789 -0.641 . . . . 72.44 110.749 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 27' ' ' LEU . . . -163.02 -179.45 6.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 60.44 109.981 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -94.87 -15.88 23.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.607 0.595 . . . . 74.35 112.607 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -133.94 156.21 48.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.103 0.477 . . . . 62.42 111.695 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 25.0 ttpp -65.2 -41.76 94.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 71.2 110.128 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.95 -35.97 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 74.22 110.898 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.22 -46.31 70.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.41 -0.359 . . . . 74.31 110.424 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 21' ' ' ALA . 8.3 mp -54.24 -50.41 67.24 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.394 0.434 . . . . 71.54 110.692 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.07 -45.58 83.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.048 -0.524 . . . . 64.34 111.233 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 48.8 m -66.89 -46.7 74.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 36.42 111.293 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 29.5 mm-40 -64.6 -43.56 93.41 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.614 -0.266 . . . . 71.33 111.202 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.33 -49.32 72.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 73.43 110.175 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.02 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.053 -0.976 . . . . 36.42 111.231 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 29' ' ' SER . 75.8 mmtt -65.15 -37.43 87.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.712 -0.222 . . . . 74.03 111.441 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -69.29 -39.61 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.625 -0.261 . . . . 74.44 110.645 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.06 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 73.43 109.839 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.56 -45.52 88.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.794 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.96 -32.26 73.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 75.32 110.8 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.33 -49.09 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 62.31 110.756 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.49 -29.24 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.13 111.016 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -67.5 -27.08 66.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.561 . . . . 55.13 110.101 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.66 -49.75 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.948 -0.569 . . . . 72.4 111.19 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 t -139.43 133.07 30.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.06 0.457 . . . . 75.43 110.63 -171.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.11 -22.83 22.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.83 -0.623 . . . . 63.11 110.861 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.25 28.07 10.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.933 -0.651 . . . . 70.41 112.024 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -79.42 125.12 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.563 0.697 . . . . 71.23 111.008 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -108.75 145.06 35.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.386 -0.824 . . . . 62.32 109.142 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 49.4 p90 -144.49 152.13 40.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.749 0.785 . . . . 73.45 112.807 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.3 167.27 12.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.31 -1.313 . . . . 63.25 107.513 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.59 149.15 3.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 120.559 -0.457 . . . . 75.12 111.137 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -77.91 170.01 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 54.31 110.137 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 135.49 35.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.36 -0.608 . . . . 72.04 109.36 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -107.45 114.53 28.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.262 0.553 . . . . 61.44 111.227 -175.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.0 p -122.27 176.8 5.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.679 . . . . 74.3 109.407 174.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.33 -19.31 58.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.33 . . . . 74.42 111.582 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.39 -12.84 48.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 62.12 110.277 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.1 m -87.9 101.17 13.47 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.287 -0.635 . . . . 72.24 109.287 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 14.4 mmmm -76.67 -9.22 58.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 71.53 110.163 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.54 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 8.8 pt-20 -146.45 146.72 30.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.703 -0.68 . . . . 71.02 110.864 -177.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -133.45 140.55 47.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.23 -0.656 . . . . 74.45 109.23 170.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 m -103.56 112.82 25.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.091 -0.504 . . . . 75.14 110.725 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.44 111.68 24.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.252 -0.431 . . . . 73.34 109.935 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.703 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 21.1 tpp85 -90.5 113.85 25.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 75.32 109.88 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -106.94 140.48 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 53.33 110.788 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -125.38 141.25 52.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.306 -0.628 . . . . 75.1 109.306 168.643 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.488 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 96.8 m-85 -110.77 -178.75 3.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.364 -0.606 . . . . 75.41 109.364 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.15 -49.35 19.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.102 0.477 . . . . 73.25 110.668 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.07 170.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.999 -0.546 . . . . 72.01 110.674 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.6 ' HG ' ' HB3' ' A' ' 12' ' ' ASP . 6.6 m -66.07 -28.17 68.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.041 0.448 . . . . 74.55 111.444 -176.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.95 97.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 72.25 111.06 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 3.2 mm-40 -59.1 -42.33 90.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.455 0.645 . . . . 75.42 109.593 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 15' ' ' ALA . 1.9 tmmm? -61.65 -52.27 65.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 74.42 110.032 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.14 -47.31 78.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.246 -0.888 . . . . 73.3 111.715 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 HG22 ' HZ1' ' A' ' 77' ' ' LYS . 71.9 mt -63.42 -34.52 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.968 0.414 . . . . 75.15 111.308 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.98 -48.01 64.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.195 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 55.2 mm-40 -66.94 -30.65 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.511 . . . . 54.15 111.765 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 73' ' ' ILE . 37.8 mt -59.83 -37.66 79.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.214 0.531 . . . . 65.31 110.288 174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' HZ1' HG22 ' A' ' 73' ' ' ILE . 58.2 mttp -72.65 -46.49 53.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.293 -0.867 . . . . 74.25 110.971 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.622 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 11.5 p -66.3 -36.81 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.592 0.59 . . . . 70.21 112.592 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.2 mtm180 -54.66 -50.63 67.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 111.993 0.368 . . . . 74.15 111.993 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -87.29 -12.83 45.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 73.15 110.737 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.6 tp -77.55 -47.3 19.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.085 0.469 . . . . 73.5 109.836 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.0 12.02 6.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.579 . . . . 73.42 110.956 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -93.19 -21.18 19.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.396 -0.82 . . . . 44.15 110.139 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.4 mt 57.78 68.38 0.85 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.637 -0.711 . . . . 72.55 111.544 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 58.38 -146.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.976 -1.011 . . . . 72.21 111.769 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 43.17 69.65 0.37 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 122.476 1.131 . . . . 75.22 110.912 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -135.05 49.37 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.262 -0.881 . . . . 74.31 112.462 -174.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -69.61 -35.38 75.23 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.638 -0.875 . . . . 74.22 108.638 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -134.52 128.79 34.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.671 -1.15 . . . . 54.34 108.474 170.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.76 -9.42 58.64 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.096 -0.242 . . . . 75.02 110.372 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.25 1.086 0 O-C-N 124.42 1.075 . . . . 63.33 110.05 -178.42 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' H2 ' HD11 ' A' ' 4' ' ' ILE . . . . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.15 -0.315 . . . . 73.32 110.15 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.99 -100.84 0.48 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.06 -0.591 . . . . 63.52 112.001 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.446 ' HA ' HH22 ' A' ' 62' ' ' ARG . 43.4 tt0 -138.31 136.82 36.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.059 0.457 . . . . 73.33 109.997 174.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.606 HD13 HG22 ' A' ' 60' ' ' THR . 15.1 mt -129.53 166.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.439 -0.948 . . . . 51.03 108.439 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.96 55.63 2.22 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.664 -0.303 . . . . 52.24 113.074 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' CD2' ' HB ' ' A' ' 4' ' ' ILE . 48.4 m-85 -90.37 168.11 12.13 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 122.6 0.36 . . . . 74.34 110.059 175.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.04 -40.63 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.518 . . . . 63.11 109.82 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.604 HG23 ' HB2' ' A' ' 64' ' ' LYS . 83.2 mt -98.83 124.13 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.569 -0.742 . . . . 70.22 110.429 176.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -100.67 -176.51 3.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.737 . . . . 70.02 109.711 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.592 ' HG2' HH12 ' A' ' 62' ' ' ARG . 3.3 mm-40 -70.79 168.63 16.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.879 0.847 . . . . 64.23 112.656 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.33 -164.69 32.98 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.613 -1.176 . . . . 61.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.433 ' O ' ' HE2' ' A' ' 71' ' ' LYS . 6.5 t70 -91.19 -19.78 22.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.213 0.53 . . . . 72.2 110.205 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.63 5.52 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.597 -0.729 . . . . 63.15 111.002 178.379 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.51 HG23 ' HG3' ' A' ' 64' ' ' LYS . 47.0 t -106.21 141.29 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.611 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' A' ' 71' ' ' LYS . . . -131.5 152.86 50.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.027 -0.361 . . . . 44.51 110.027 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.59 138.27 54.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.076 0.465 . . . . 64.32 110.541 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.01 135.28 55.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.534 -0.757 . . . . 54.14 109.943 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 m -133.79 116.47 15.74 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.836 -0.62 . . . . 74.21 109.983 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.662 ' HB ' HD23 ' A' ' 59' ' ' LEU . 14.2 mt -100.33 139.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 74.1 109.812 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.628 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 37.5 m-85 -119.66 132.5 55.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 75.51 109.906 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -167.34 159.23 12.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.502 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.38 -51.57 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.308 0.484 . . . . 70.12 112.308 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -102.78 143.46 32.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.408 0.522 . . . . 62.41 112.408 -170.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' A' ' 52' ' ' LEU . 55.4 tttm -54.26 -36.7 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.944 -1.026 . . . . 62.31 110.718 176.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.43 -46.89 83.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.508 -0.769 . . . . 71.43 111.091 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 64.34 110.684 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.8 ' HG ' HD22 ' A' ' 59' ' ' LEU . 10.2 mp -58.07 -54.66 44.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.296 174.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.74 -40.08 93.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 71.5 112.145 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.7 m -67.13 -46.46 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.716 0.294 . . . . 72.44 111.628 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' HB3' HD11 ' A' ' 19' ' ' ILE . 1.1 tp10 -70.89 -36.8 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 72.34 110.104 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 61' ' ' ALA . 24.5 tp -58.14 -46.93 84.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.902 -0.59 . . . . 54.42 110.505 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.229 -0.896 . . . . 71.41 111.467 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.49 -34.3 75.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.411 -0.359 . . . . 70.11 111.111 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 52.3 m-85 -75.41 -37.94 60.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 71.31 110.64 177.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.44 -38.79 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.63 -0.507 . . . . 61.23 109.63 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -63.16 -44.96 94.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.483 -0.78 . . . . 73.23 110.791 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.36 -41.42 89.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 51.12 109.797 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.4 -51.91 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.695 -0.684 . . . . 70.32 111.099 -174.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 49.3 mtmt -64.28 -30.81 71.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 72.13 111.151 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -66.6 -34.97 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.884 0.374 . . . . 64.4 110.328 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.15 -48.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 75.05 110.796 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.56 ' SG ' ' HG3' ' A' ' 66' ' ' GLU . 45.4 t -136.52 125.96 25.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.286 -0.416 . . . . 60.21 110.316 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.75 -20.16 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.007 0.432 . . . . 74.12 110.692 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.33 26.97 19.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.838 -0.696 . . . . 43.1 111.836 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 126.65 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.431 0.634 . . . . 71.21 110.939 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.18 116.9 33.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.762 -0.829 . . . . 71.44 108.762 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.3 p90 -131.16 149.98 52.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.653 0.739 . . . . 74.43 112.726 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.14 162.26 18.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.68 -1.145 . . . . 74.43 108.42 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.53 137.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -71.2 177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 65.33 111.065 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -82.62 129.19 34.9 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.024 -0.535 . . . . 54.11 111.423 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 85.3 mt -93.45 114.28 26.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.467 -0.788 . . . . 73.03 109.669 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.9 p -131.71 -177.6 4.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.353 -0.385 . . . . 60.13 110.479 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.26 -20.0 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.409 0.623 . . . . 63.41 109.897 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.18 -24.9 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.458 -0.792 . . . . 74.15 111.401 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.6 p -79.37 117.11 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.057 0.456 . . . . 74.21 111.934 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -108.59 3.29 22.78 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.196 -1.039 . . . . 51.54 108.196 168.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.628 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 10.9 mt-10 -133.97 134.34 42.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.121 -1.4 . . . . 74.34 108.56 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.8 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -133.74 144.78 49.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.313 -0.555 . . . . 73.23 110.13 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.606 HG22 HD13 ' A' ' 4' ' ' ILE . 26.1 m -114.84 127.72 55.88 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.712 -0.676 . . . . 71.44 110.808 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -112.76 113.23 25.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.618 -0.719 . . . . 73.31 109.417 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.592 HH12 ' HG2' ' A' ' 10' ' ' GLU . 2.6 tpp180 -93.07 114.68 27.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.719 -0.673 . . . . 74.22 109.425 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -111.62 121.08 44.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.816 0.341 . . . . 75.33 111.211 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.604 ' HB2' HG23 ' A' ' 8' ' ' ILE . 49.9 tttm -113.9 123.74 50.49 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.712 -0.477 . . . . 72.43 109.712 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -95.27 -172.13 2.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.325 -0.398 . . . . 74.35 110.426 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.56 ' HG3' ' SG ' ' A' ' 42' ' ' CYS . 38.3 mt-10 -90.66 -42.51 10.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.981 0.42 . . . . 70.32 110.437 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.7 m -124.53 156.87 32.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 70.42 110.165 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 4.4 p -62.32 -28.99 70.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.355 0.502 . . . . 61.31 112.355 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.52 -33.89 73.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.797 -0.638 . . . . 71.22 111.335 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 54.7 mt-10 -67.84 -28.93 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 55.52 111.271 -176.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.475 ' HG2' ' HB1' ' A' ' 15' ' ' ALA . 1.6 tmmm? -62.0 -54.06 46.9 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.535 0.683 . . . . 75.41 109.374 175.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -55.58 -45.89 77.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.295 -1.32 . . . . 73.43 111.39 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -59.84 -43.36 91.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.943 0.401 . . . . 74.05 111.204 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -66.46 -50.06 64.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.459 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 21.3 mm-40 -58.98 -40.93 86.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 64.43 111.394 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.72 -47.38 82.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 73.03 111.113 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.53 -36.77 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.975 -0.557 . . . . 63.32 110.914 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 m -63.68 -32.59 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.046 -0.525 . . . . 65.23 111.243 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 13.4 mmp_? -58.12 -43.75 87.39 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.782 0.325 . . . . 73.3 110.929 176.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m -83.51 -38.31 21.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.944 -0.571 . . . . 72.4 111.799 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.64 -40.91 80.05 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 74.43 110.886 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.61 39.95 1.0 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.12 -0.491 . . . . 70.21 110.297 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.475 ' HA ' ' HD2' ' A' ' 87' ' ' HIS . 45.1 ttm-85 -71.71 -55.73 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.653 -0.703 . . . . 73.44 110.555 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.1 mt 57.94 22.04 8.33 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.935 0.772 . . . . 64.23 110.999 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 86' ' ' HIS . 19.3 mt-10 53.79 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.479 -1.237 . . . . 73.52 111.243 -171.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 12.2 t-80 68.59 -68.79 0.17 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.411 -0.589 . . . . 73.22 109.411 -171.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.475 ' HD2' ' HA ' ' A' ' 83' ' ' ARG . 8.9 t-80 55.54 99.48 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.007 0.923 . . . . 74.24 112.86 169.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -74.79 107.67 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 74.04 111.096 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -97.8 141.25 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 71.32 109.742 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -114.58 107.49 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.888 0.375 . . . . 75.22 111.454 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.256 -0.878 . . . . 63.44 109.5 175.084 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.932 -0.395 . . . . 53.24 109.932 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.94 172.04 12.41 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.03 -0.828 . . . . 72.35 111.03 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.19 94.91 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.861 0.839 . . . . 73.21 110.81 -176.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.496 ' HB ' ' CE2' ' A' ' 6' ' ' PHE . 25.5 mm -90.01 167.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 114.099 -1.409 . . . . 74.31 108.239 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.44 58.34 1.2 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.59 -0.338 . . . . 51.55 113.389 -177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CE2' ' HB ' ' A' ' 4' ' ' ILE . 71.3 m-85 -95.82 -175.91 3.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.522 -0.339 . . . . 74.43 110.107 174.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.99 -49.83 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 71.34 110.612 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 75.0 mt -94.13 139.18 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 64.3 111.019 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.94 -167.94 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.605 -0.725 . . . . 52.22 110.466 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.92 177.92 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.199 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.93 177.67 35.18 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 120.815 -0.707 . . . . 54.15 111.827 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -77.22 -22.39 52.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.464 0.649 . . . . 55.41 110.032 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 mt-10 -103.13 13.66 33.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 72.3 110.16 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -118.24 138.86 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.616 -0.72 . . . . 73.31 109.547 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.553 ' HB1' ' HD3' ' A' ' 71' ' ' LYS . . . -123.07 127.8 49.25 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.376 -0.231 . . . . 72.13 110.376 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.46 121.66 30.18 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.973 -0.751 . . . . 61.3 108.973 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.14 139.35 52.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 115.593 -0.73 . . . . 60.32 109.75 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -134.61 119.08 17.93 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.564 -0.743 . . . . 65.42 109.09 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.64 ' HB ' HD21 ' A' ' 59' ' ' LEU . 23.1 mt -97.75 140.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.862 -0.422 . . . . 72.23 109.862 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -117.96 137.61 52.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 75.51 110.116 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HB3' HD13 ' A' ' 27' ' ' LEU . . . -165.11 161.14 19.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.146 -0.934 . . . . 74.42 109.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.06 -42.14 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.782 -0.367 . . . . 61.12 111.284 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -110.06 149.21 30.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 75.03 111.241 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -58.78 -35.72 73.25 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.006 0.432 . . . . 63.2 110.456 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.07 -45.04 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 74.2 110.369 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.86 84.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 72.3 110.708 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 21' ' ' ALA . 7.0 mp -58.81 -51.52 69.64 Favored 'General case' 0 C--N 1.335 -0.046 0 CA-C-O 121.058 0.456 . . . . 74.23 109.974 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.36 -45.97 90.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.491 -0.777 . . . . 74.0 111.81 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -60.76 -48.5 81.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.487 -0.324 . . . . 51.1 111.208 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 18.2 tt0 -69.86 -41.2 75.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.539 -0.3 . . . . 73.42 110.229 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.41 -48.78 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 74.44 110.255 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.75 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.164 -0.925 . . . . 63.21 111.378 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -72.07 -33.86 68.25 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.651 -0.25 . . . . 75.33 111.449 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.3 m-85 -68.08 -42.13 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.794 -0.447 . . . . 75.33 109.794 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.2 -40.94 90.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.213 -0.449 . . . . 75.14 110.098 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -57.55 -50.66 72.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.606 -0.725 . . . . 71.41 110.113 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD22 ' HG2' ' A' ' 77' ' ' LYS . 1.2 tt -60.26 -37.86 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.487 -0.779 . . . . 72.31 110.127 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.86 63.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 71.34 110.985 -175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 64.3 mttm -69.02 -22.2 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 64.44 111.317 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 m -69.62 -29.54 67.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.834 0.35 . . . . 52.32 110.46 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.9 t -87.73 -51.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.061 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 42.5 t -139.13 124.6 19.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.897 -0.592 . . . . 72.2 110.417 -177.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.48 45.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.09 -0.505 . . . . 65.45 110.865 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 29.17 11.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.264 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.09 128.47 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.198 0.523 . . . . 74.5 110.738 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -99.0 125.71 44.53 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.254 -0.647 . . . . 73.55 109.254 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.461 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.2 p90 -136.43 154.89 50.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.602 0.715 . . . . 73.45 111.598 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 14.0 m120 -122.57 167.65 13.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.534 -1.212 . . . . 74.21 108.086 172.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 60' ' ' THR . 13.6 p -156.15 146.14 12.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.112 -0.235 . . . . 72.12 110.414 -178.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.7 p -75.84 -166.62 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 65.52 110.696 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -92.47 132.33 36.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.116 0.484 . . . . 63.1 110.741 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.76 118.4 28.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.717 -0.845 . . . . 74.23 108.717 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 p -130.05 -170.05 2.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.57 . . . . 74.24 111.616 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.51 -32.55 66.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.392 -0.822 . . . . 73.23 111.342 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -102.9 -0.86 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.684 -0.689 . . . . 75.23 112.371 -173.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -74.84 103.89 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.249 0.547 . . . . 72.51 111.457 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -90.86 -8.17 50.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.488 -0.93 . . . . 73.54 108.488 170.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -143.29 138.64 29.7 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.607 -1.178 . . . . 64.43 110.329 -177.672 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -130.25 140.03 50.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.147 -0.479 . . . . 70.01 109.986 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.495 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 24.4 m -99.96 124.73 45.62 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.667 -0.697 . . . . 74.21 110.506 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -139.23 113.25 8.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.658 -0.497 . . . . 71.11 109.658 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.9 ptp180 -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.523 -0.471 . . . . 75.45 110.387 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -107.82 116.44 31.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.731 -0.668 . . . . 74.21 110.698 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -107.25 131.8 53.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.718 -0.674 . . . . 75.31 109.515 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -107.38 174.28 5.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.695 0.283 . . . . 64.13 110.871 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.34 -39.79 24.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.298 -0.41 . . . . 75.23 110.801 -174.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -122.61 156.47 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 71.11 110.393 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.3 m -64.47 -25.87 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.986 -0.552 . . . . 70.01 111.744 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.8 88.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 54.05 111.125 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 55.0 mt-10 -63.91 -31.27 72.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.065 0.459 . . . . 61.44 110.551 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.553 ' HD3' ' HB1' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -66.33 -46.73 75.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 71.33 110.553 178.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.53 -37.7 84.71 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.118 -0.492 . . . . 75.51 110.819 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.406 ' O ' ' HD3' ' A' ' 77' ' ' LYS . 83.2 mt -64.83 -47.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.836 -0.62 . . . . 71.3 110.732 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.76 -42.03 99.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.532 -0.304 . . . . 62.25 110.519 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 56.8 mm-40 -53.2 -53.34 52.06 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.347 0.594 . . . . 60.13 110.109 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 76' ' ' LEU . 14.7 mt -64.91 -41.07 95.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.531 -0.759 . . . . 50.15 111.986 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HG2' HD22 ' A' ' 37' ' ' LEU . 5.6 mptp? -63.56 -50.82 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 73.52 111.33 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -64.22 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.657 -0.247 . . . . 75.33 111.619 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 95.1 mtt180 -59.94 -43.15 95.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.207 0.527 . . . . 74.02 111.006 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -78.7 -16.39 57.32 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.883 -0.599 . . . . 74.35 111.394 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 37' ' ' LEU . 11.4 tp -86.84 -41.05 14.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.222 0.534 . . . . 74.33 109.884 178.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.48 79.9 2.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.549 -0.75 . . . . 63.12 109.146 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -58.99 106.77 0.45 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.156 -0.929 . . . . 72.41 111.715 -175.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.57 59.17 4.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.885 -1.052 . . . . 65.31 110.025 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.68 145.44 53.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.939 -1.028 . . . . 72.31 110.108 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -139.04 101.11 4.2 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 72.43 110.062 -177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -94.27 77.89 3.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.32 0.581 . . . . 73.02 110.416 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -89.98 55.31 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.333 -0.988 . . . . 71.24 108.333 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.3 m170 65.75 -85.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.139 -0.937 . . . . 70.24 110.439 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -166.04 120.98 1.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 74.14 110.841 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.253 -0.879 . . . . 74.42 109.183 175.502 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 109.761 -0.459 . . . . 73.3 109.761 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 62.4 mt -78.05 -66.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.162 -0.681 . . . . 71.14 109.162 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.54 134.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 71.23 109.726 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -102.6 -163.79 1.03 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.756 -0.656 . . . . 72.42 109.853 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.54 163.88 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.889 0.376 . . . . 71.01 110.318 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.48 -168.91 32.94 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.506 -0.854 . . . . 51.41 111.985 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.47 -27.16 16.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.147 0.499 . . . . 71.42 109.918 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 17.41 11.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 71.52 110.804 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 64' ' ' LYS . 24.2 t -105.51 125.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 71.43 110.417 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -134.35 125.57 27.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.525 0.202 . . . . 64.52 110.674 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 1.052 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 2.8 p30 -108.18 145.97 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.443 0.639 . . . . 71.33 111.896 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 134.86 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.993 -1.003 . . . . 73.34 109.096 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -110.82 110.64 21.34 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.547 -0.751 . . . . 52.45 109.831 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.67 144.95 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.441 -174.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -125.07 137.01 54.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.288 -0.415 . . . . 73.43 110.003 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.58 167.79 9.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.356 0.41 . . . . 62.12 110.594 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.75 -45.06 93.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.229 0.455 . . . . 65.24 112.229 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 p -124.3 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.096 0.474 . . . . 51.41 111.939 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.777 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 28.3 ttpp -65.16 -36.83 85.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.385 -0.825 . . . . 65.31 109.215 175.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.66 -46.71 67.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 74.33 111.294 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.06 88.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.474 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 24' ' ' LYS . 95.3 mt -57.27 -46.49 83.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.803 -0.635 . . . . 64.15 110.756 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.45 -37.75 88.48 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.064 -0.517 . . . . 63.21 111.434 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.1 m -62.2 -43.78 98.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.063 0.459 . . . . 74.4 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -43.81 62.37 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.937 -0.574 . . . . 65.4 110.789 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 61' ' ' ALA . 17.8 tp -57.47 -42.15 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 71.41 110.804 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.27 66.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 70.01 111.129 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 58.2 mmtt -76.07 -29.17 57.87 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.249 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.78 -41.66 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.961 -0.385 . . . . 75.02 109.961 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 31' ' ' LEU . 66.6 mt -61.65 -37.92 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.505 0.669 . . . . 73.33 109.975 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.05 -46.38 89.42 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.263 -0.88 . . . . 74.44 110.558 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 81' ' ' LEU . 1.2 tt -63.26 -37.13 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.83 -0.623 . . . . 74.34 109.853 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.91 82.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 70.02 110.824 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.57 -24.2 67.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.184 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 -29.33 61.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 54.41 110.299 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.75 -45.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 63.21 110.466 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 t -147.08 109.16 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 75.13 110.292 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.78 -28.87 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.393 . . . . 64.44 110.849 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.13 24.35 13.85 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.939 -0.573 . . . . 52.13 112.527 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB3' ' A' ' 63' ' ' PHE . 14.0 p -70.23 138.48 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.771 0.319 . . . . 65.31 110.539 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -114.32 133.7 55.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.965 -0.754 . . . . 71.43 108.965 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.1 p90 -140.78 149.04 41.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.111 0.481 . . . . 61.41 112.287 -174.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.577 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 14.5 m120 -124.11 167.21 14.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.253 -0.885 . . . . 75.53 109.109 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.44 153.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.203 -0.666 . . . . 73.52 109.203 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 m -62.97 174.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.766 0.317 . . . . 65.11 110.405 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -67.06 118.5 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.703 0.763 . . . . 74.43 110.254 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 94.8 mt -93.71 118.9 32.01 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.238 -0.892 . . . . 73.05 110.536 -175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -139.18 -170.58 2.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.727 -0.67 . . . . 71.15 109.937 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.74 -22.22 56.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.876 0.369 . . . . 74.12 110.083 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -103.2 12.59 35.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.668 0.618 . . . . 72.32 112.668 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -89.61 98.25 11.66 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.328 -0.549 . . . . 63.32 110.263 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 57' ' ' LYS . 3.7 mppt? -94.46 3.54 55.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.352 -0.981 . . . . 70.52 108.352 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -145.26 139.59 27.23 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.5 -1.227 . . . . 73.25 108.95 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 27' ' ' LEU . 1.9 pt? -145.37 148.62 33.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.044 0.45 . . . . 75.54 110.405 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -121.79 106.04 10.92 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.641 -0.709 . . . . 70.32 110.04 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' A' ' 31' ' ' LEU . . . -110.58 123.37 49.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.27 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 1.052 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -110.82 127.89 55.56 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.297 0.57 . . . . 75.41 111.951 -177.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.417 ' HB3' HG21 ' A' ' 45' ' ' VAL . 58.8 m-85 -102.98 119.54 39.03 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.56 -1.2 . . . . 72.44 109.061 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -100.43 137.93 38.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.33 -0.619 . . . . 64.33 109.33 174.211 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 94.2 m-85 -109.88 -172.68 2.09 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.466 -0.788 . . . . 71.01 110.082 -174.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.03 -37.79 21.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.077 0.465 . . . . 75.34 110.234 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.9 m -131.39 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.013 -0.539 . . . . 75.45 110.555 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.1 m -66.18 -20.16 66.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 74.21 111.332 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -65.31 -39.21 92.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 53.45 110.55 177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 62.1 mt-10 -65.75 -33.81 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 74.43 110.633 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 26.0 ttpp -59.22 -56.05 27.13 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.769 -0.65 . . . . 74.11 109.539 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -54.04 -45.19 71.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.402 -1.272 . . . . 73.02 111.336 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 69' ' ' ALA . 89.3 mt -59.32 -45.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 71.3 110.813 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.49 -42.14 98.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 70.5 110.374 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 46.2 mt-10 -64.05 -40.69 96.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.694 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -44.55 89.2 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.504 -0.316 . . . . 65.34 111.506 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.37 -40.0 81.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.604 -0.271 . . . . 61.12 111.625 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 10.7 p -65.5 -21.84 66.66 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 121.046 -0.262 . . . . 61.12 111.565 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 79' ' ' ARG . 29.4 mmt180 -60.52 -43.89 96.64 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.742 0.306 . . . . 72.25 111.382 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -80.86 -13.36 59.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.897 0.38 . . . . 73.4 111.731 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 37' ' ' LEU . 11.7 tp . . . . . 0 N--CA 1.446 -0.64 0 CA-C-N 116.282 -0.417 . . . . 74.43 111.049 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 . . . . . 0 C--O 1.236 0.389 0 N-CA-C 109.185 -0.672 . . . . 74.23 109.185 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.415 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 39.4 mm -79.38 -58.3 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.849 0.356 . . . . 71.13 110.704 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.62 137.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.33 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 24.8 pttt -106.22 -169.7 1.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 61.52 110.67 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -67.82 163.34 22.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.471 -0.331 . . . . 73.2 111.3 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.74 172.26 39.62 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.441 -0.664 . . . . 75.12 111.441 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -76.86 -27.89 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 42.22 111.214 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.12 4.14 46.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.024 -0.535 . . . . 52.4 110.59 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.38 120.46 58.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.991 -0.549 . . . . 60.31 110.455 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.853 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -113.75 104.59 12.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.179 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 1.012 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 4.8 p-10 -96.19 128.78 43.41 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 121.511 0.672 . . . . 74.04 110.159 174.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.05 133.47 60.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 114.727 -1.124 . . . . 63.12 109.511 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.6 m -97.91 113.48 25.32 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.465 -0.939 . . . . 65.35 108.465 174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 20.0 mt -96.11 136.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.348 -0.612 . . . . 74.41 109.348 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.05 127.57 55.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.57 -0.741 . . . . 74.44 109.94 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.83 179.45 6.23 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.529 -0.759 . . . . 51.23 109.817 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -74.19 -42.42 59.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.873 0.368 . . . . 72.21 110.519 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.3 p -137.25 171.18 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.389 -0.369 . . . . 61.54 111.535 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 tmpt? -57.32 -42.04 81.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.516 -0.766 . . . . 74.54 110.292 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.12 -46.94 81.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 75.14 111.323 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.42 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 64.44 110.171 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.3 tp -59.03 -46.94 86.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.69 -0.686 . . . . 73.4 110.269 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 52' ' ' LEU . 20.8 mt-10 -59.27 -41.66 89.39 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.76 -0.655 . . . . 74.2 111.613 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.6 t -59.51 -52.3 66.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.119 0.485 . . . . 63.2 110.45 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.45 -41.61 98.64 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.583 -0.735 . . . . 73.21 111.108 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . 24.9 tp -59.03 -48.52 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.08 -38.3 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.742 . . . . 53.4 111.265 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' SER . 94.5 mttt -64.7 -41.97 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 70.12 111.073 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -71.03 -34.27 71.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.454 . . . . 61.14 110.746 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -64.62 -41.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.132 0.492 . . . . 54.53 110.095 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.02 -42.78 94.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.84 -0.618 . . . . 52.32 110.616 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.7 -38.57 85.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 71.31 109.996 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.14 89.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.836 -0.62 . . . . 52.31 110.863 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.6 -21.98 65.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 41.53 111.283 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -76.71 -19.92 57.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.393 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.72 -50.23 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.998 0.427 . . . . 53.11 110.737 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.492 ' CB ' ' HD1' ' A' ' 65' ' ' PHE . 52.1 t -131.04 121.04 24.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.832 -0.622 . . . . 63.4 110.203 -173.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.9 -39.93 41.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 54.42 110.924 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.78 34.22 4.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.102 -0.57 . . . . 75.53 112.6 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.11 126.68 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.436 0.636 . . . . 74.14 111.145 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' A' ' 64' ' ' LYS . 10.1 pt-20 -110.35 127.04 54.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.957 -0.757 . . . . 64.41 108.957 175.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 38.1 p90 -137.78 153.77 49.64 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.346 -0.542 . . . . 73.14 112.208 -170.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.415 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 13.2 m120 -124.78 167.18 14.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.01 -0.995 . . . . 70.22 108.581 170.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' THR . 8.3 p -161.77 145.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.277 -0.42 . . . . 64.1 110.502 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 152.99 28.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.566 -0.531 . . . . 73.32 109.566 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.2 pm0 -81.0 124.89 29.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.43 0.634 . . . . 64.11 109.67 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.692 ' H ' HD23 ' A' ' 52' ' ' LEU . 2.3 pt? -93.45 115.31 27.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.4 -0.818 . . . . 55.25 110.174 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -106.82 -172.29 2.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 64.44 109.436 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 53' ' ' THR . 7.7 mm-40 -59.02 -36.05 74.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.024 0.44 . . . . 73.25 111.563 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.28 2.49 55.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 71.42 112.153 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 m -91.87 102.82 15.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.06 0.457 . . . . 74.31 111.064 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 10.52 40.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.482 0.658 . . . . 73.12 109.652 173.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -147.73 154.34 40.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.9 -1.045 . . . . 72.42 109.463 174.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.56 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pt? -154.41 148.54 25.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.157 -0.312 . . . . 73.43 110.157 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 62.8 m -106.05 110.74 23.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.765 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.59 126.47 54.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.605 . . . . 55.13 110.33 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 1.012 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -116.48 118.66 33.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.163 0.506 . . . . 75.35 111.333 177.244 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.473 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 36.0 m-85 -97.68 119.3 36.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.021 -0.99 . . . . 72.34 109.388 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HB3' ' HG3' ' A' ' 46' ' ' GLU . 48.5 tttm -92.22 114.97 27.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.389 -0.597 . . . . 71.44 109.389 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 63.1 m-85 -90.33 179.49 5.87 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.663 -0.699 . . . . 63.24 109.929 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.5 -58.95 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.48 0.657 . . . . 61.43 109.912 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.41 -174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.217 -0.901 . . . . 73.11 110.073 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 m -65.77 -30.71 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.411 . . . . 53.44 111.093 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -57.92 -49.07 78.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.531 -0.759 . . . . 64.54 111.424 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 4.7 mm-40 -61.83 -37.56 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 74.54 110.156 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.853 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -62.98 -49.3 75.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 74.45 110.224 -178.435 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.3 mt -62.05 -44.82 95.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 75.55 111.281 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 69' ' ' ALA . 43.6 mm -59.99 -42.23 88.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.936 0.398 . . . . 70.51 110.962 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.24 -47.69 84.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 74.34 110.319 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 30.8 mt-10 -62.62 -38.33 89.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 72.45 111.236 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 80.4 mt -59.44 -43.39 93.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.997 0.427 . . . . 55.34 110.869 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.47 -42.94 77.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 70.42 111.015 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 32.6 p -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.023 -0.271 . . . . 71.03 111.619 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -58.81 -43.83 90.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.068 0.461 . . . . 71.01 111.098 176.499 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.5 m -78.76 -17.3 56.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.893 -0.594 . . . . 73.01 111.453 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.446 -0.671 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.413 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.943 0.401 . . . . 72.55 111.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.62 -47.2 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.15 -0.685 . . . . 75.04 109.15 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.427 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 69.0 mt -94.98 128.09 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 74.34 109.49 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -106.26 -173.47 2.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 63.54 110.619 -175.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.47 167.72 12.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 64.21 110.96 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.03 -172.92 45.16 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.427 -0.892 . . . . 74.31 112.271 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.13 -27.94 35.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.506 0.67 . . . . 73.33 110.013 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 15.15 24.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 54.12 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG22 ' HG3' ' A' ' 64' ' ' LYS . 21.5 t -118.74 140.55 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 61.44 110.7 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.83 139.69 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 74.21 111.019 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -97.27 139.44 33.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.082 0.468 . . . . 73.12 110.761 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.95 135.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 75.04 108.903 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 m -134.3 119.62 18.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.826 0.346 . . . . 64.11 110.503 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 3.4 mp -106.03 143.18 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.708 -0.479 . . . . 62.11 109.708 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 23.3 p90 -135.16 143.13 46.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.189 -0.459 . . . . 63.53 110.436 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.25 178.59 6.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.911 -0.586 . . . . 63.42 110.02 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.501 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 5.6 mm-40 -81.87 -36.09 28.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.0 0.37 . . . . 70.23 112.0 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.3 p -109.36 142.26 40.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 75.34 111.155 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.55 -36.29 73.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.151 0.501 . . . . 74.25 109.773 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.92 -44.17 78.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.218 -0.901 . . . . 72.43 111.143 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.9 97.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.719 0.295 . . . . 53.34 110.639 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.2 mp -56.26 -55.08 37.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.778 -0.646 . . . . 43.22 110.177 173.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.87 -39.49 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.451 -0.795 . . . . 71.22 111.756 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 42.4 m -66.36 -47.52 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.726 0.298 . . . . 71.31 111.41 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 71.44 110.179 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 59' ' ' LEU . 2.3 tm? -59.54 -45.48 91.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 74.54 110.064 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.91 73.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.331 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' SER . 92.7 mttt -61.26 -44.83 96.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.101 0.477 . . . . 74.5 110.566 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -69.07 -36.85 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 74.01 111.13 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.7 mt -66.62 -39.97 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.452 . . . . 73.21 110.125 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.12 -40.31 95.91 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.964 -0.562 . . . . 73.32 111.026 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -66.5 -38.16 86.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.981 -0.554 . . . . 70.42 109.543 175.141 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.3 91.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 65.22 111.068 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.45 -0.341 . . . . 74.21 111.113 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -73.78 -33.71 64.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.963 0.411 . . . . 62.43 110.13 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.56 -39.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.51 . . . . 72.35 110.952 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 49.0 t -130.46 126.19 36.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.058 0.456 . . . . 65.15 110.355 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.66 22.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.663 -0.698 . . . . 63.53 110.974 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.94 52.18 0.67 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.776 -0.726 . . . . 75.43 112.698 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.2 p -73.66 125.78 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.142 0.496 . . . . 53.34 110.642 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.39 119.2 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.402 -0.592 . . . . 74.04 109.402 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 14.9 p90 -130.79 142.22 50.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.44 0.638 . . . . 61.54 112.238 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.84 167.2 10.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.234 -0.894 . . . . 65.54 109.196 171.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.53 147.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.86 -0.609 . . . . 73.4 109.364 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -70.4 167.33 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.805 -0.443 . . . . 70.45 109.805 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.52 129.64 34.96 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.109 0.48 . . . . 64.3 110.455 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -83.6 123.54 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 71.02 110.453 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 p -121.13 -177.79 3.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.748 -0.66 . . . . 70.31 110.264 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.22 -36.21 69.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.122 0.487 . . . . 73.22 111.162 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.13 -7.97 31.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 54.22 112.71 -171.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 116.78 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.358 0.599 . . . . 71.21 112.441 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 5.5 mptp? -88.5 -22.22 23.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 64.41 110.302 173.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -131.97 158.73 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 70.31 111.253 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.578 HD11 ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt? -146.78 140.47 25.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 74.42 109.848 173.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.0 m -104.08 118.67 37.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.09 -0.504 . . . . 65.12 110.769 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.54 122.99 49.1 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.698 -0.683 . . . . 63.12 109.299 176.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 42.8 ttm180 -108.11 116.38 31.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.11 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.5 113.4 26.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 75.44 111.141 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 14' ' ' VAL . 33.1 tttm -97.37 120.99 38.74 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 71.01 109.377 171.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 77.0 m-85 -93.75 -176.76 4.15 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.695 -0.483 . . . . 74.12 109.695 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -93.71 -36.16 12.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.028 0.442 . . . . 74.32 110.154 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -127.24 150.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 44.13 109.16 172.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 m -71.62 -12.29 61.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.057 0.456 . . . . 71.04 111.133 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 35.24 110.019 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 61.1 mt-10 -59.21 -35.47 73.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 75.42 110.152 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 24.0 ttpp -59.04 -57.65 12.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.392 -0.822 . . . . 72.14 110.007 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.76 -45.21 74.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.753 -1.112 . . . . 62.22 111.309 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.1 mt -59.15 -45.35 92.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.757 0.313 . . . . 74.1 110.969 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 37' ' ' LEU . 84.6 t80 -65.2 -43.87 90.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.468 . . . . 63.24 110.556 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 44.8 mt-10 -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 72.05 110.748 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.42 -43.3 97.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.29 -0.414 . . . . 63.32 111.787 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -72.92 -36.83 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.553 -0.294 . . . . 74.32 111.694 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.8 p -70.24 -35.22 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.764 -0.198 . . . . 60.1 111.22 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 92.4 mtt180 -56.22 -44.5 79.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.965 0.412 . . . . 61.34 111.38 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -80.7 -19.31 45.41 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.038 -0.528 . . . . 60.22 112.235 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.025 0.44 . . . . 73.05 111.249 -176.833 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.052 -0.351 . . . . 74.42 110.052 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.75 -53.26 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 72.13 109.431 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.7 mt -89.42 126.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 53.22 109.741 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 55.7 mtmt -96.0 -177.83 4.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.08 -0.509 . . . . 65.03 110.726 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.75 168.18 9.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.405 0.622 . . . . 72.2 112.205 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.35 177.86 40.25 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.304 -0.862 . . . . 53.32 111.343 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.93 -17.44 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.766 0.317 . . . . 50.45 111.758 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -101.65 3.33 39.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.122 0.487 . . . . 74.32 109.894 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.36 136.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 73.34 111.318 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -131.53 109.98 10.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 72.24 109.735 174.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.92 134.98 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.231 0.538 . . . . 73.22 110.606 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.2 p -141.04 153.38 20.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.504 -0.771 . . . . 50.23 111.165 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.0 m -134.19 127.05 31.18 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.564 -0.744 . . . . 65.42 109.752 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 27.2 mt -98.59 142.51 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.635 -0.506 . . . . 73.12 109.635 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -126.63 140.03 52.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.754 0.311 . . . . 63.42 110.648 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.61 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -173.78 157.03 2.98 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.964 -0.754 . . . . 54.15 108.964 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 70.9 mm-40 -74.2 -23.22 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.171 0.434 . . . . 73.45 112.171 -174.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -114.6 139.92 49.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.508 -0.477 . . . . 70.14 111.014 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 53' ' ' THR . 26.4 ttpp -62.35 -34.65 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.421 0.629 . . . . 61.02 109.711 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.73 -38.21 81.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.197 -0.91 . . . . 55.24 110.599 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.38 83.55 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.077 -0.342 . . . . 72.55 110.077 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 21' ' ' ALA . 9.9 mp -55.72 -55.72 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.664 . . . . 72.43 110.112 173.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -41.18 98.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.499 -0.773 . . . . 74.42 111.955 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -65.63 -43.45 89.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.587 0.232 . . . . 63.31 111.589 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 17.3 tt0 -76.32 -34.38 59.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.836 0.35 . . . . 74.43 110.163 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.3 tp -52.57 -47.97 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.852 -0.613 . . . . 74.3 110.524 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.95 -35.91 64.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.24 -0.891 . . . . 52.31 111.31 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.34 -44.16 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.209 0.528 . . . . 74.15 110.341 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.1 m-85 -65.89 -37.88 87.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.492 -0.777 . . . . 60.1 110.727 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 31' ' ' LEU . 75.1 mt -63.27 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 73.1 110.549 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.85 -44.68 92.41 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.117 0.484 . . . . 72.42 110.098 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -63.16 -32.87 74.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.91 -0.587 . . . . 73.33 111.033 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 53.31 110.483 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -70.76 -25.36 62.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 75.2 110.912 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 t -66.57 -41.55 88.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 74.55 109.768 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 66.0 t -79.26 -52.97 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 61.12 110.697 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.4 t -128.45 118.95 23.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.182 0.515 . . . . 71.33 110.693 -175.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.04 79.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 53.33 111.115 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.75 33.04 6.71 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.479 -0.867 . . . . 65.13 112.567 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -62.82 127.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.191 0.519 . . . . 64.43 111.258 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.42 135.5 38.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.61 -0.723 . . . . 62.54 109.225 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 8.5 p90 -143.82 139.57 29.39 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.56 0.695 . . . . 74.34 112.862 -176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 14.6 m120 -112.46 167.8 10.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.865 -1.161 . . . . 70.5 107.865 170.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -156.63 152.24 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 110.227 -0.286 . . . . 74.34 110.227 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -66.98 165.36 15.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.941 0.401 . . . . 75.53 110.304 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.32 129.4 34.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.132 -0.485 . . . . 72.33 109.84 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.97 125.6 29.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.75 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' A' ' 24' ' ' LYS . 24.8 p -116.8 -179.11 3.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.362 -0.607 . . . . 74.24 109.362 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -76.1 -30.29 58.2 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.883 -0.327 . . . . 65.52 111.784 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.6 25.5 11.73 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.876 0.324 . . . . 73.03 111.876 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -65.68 120.58 13.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 72.23 111.714 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.54 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 2.7 mptm? -107.01 -1.95 21.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.155 0.502 . . . . 73.25 109.995 169.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -149.24 154.79 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.727 -0.67 . . . . 73.22 110.611 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -152.12 140.38 20.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.847 -0.615 . . . . 73.21 109.369 170.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 m -105.57 128.48 53.63 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.884 -0.598 . . . . 53.41 110.114 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 117.85 31.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.933 -0.576 . . . . 50.53 110.14 -178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 17.7 tpp85 -95.89 114.16 25.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.478 -0.783 . . . . 73.33 109.623 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.4 m-85 -112.65 124.77 53.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.725 0.297 . . . . 62.53 111.305 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -115.79 123.87 49.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.241 -0.652 . . . . 73.54 109.241 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 85.3 m-85 -90.93 -176.03 4.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.766 -0.652 . . . . 74.42 110.281 -177.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -93.19 -28.11 16.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 121.152 0.501 . . . . 75.23 110.083 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -134.49 160.13 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.705 -0.679 . . . . 54.35 110.001 171.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.86 -23.78 64.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.008 0.432 . . . . 73.05 111.721 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.65 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.098 -0.501 . . . . 71.12 111.43 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 71.3 mt-10 -68.44 -29.24 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.409 -0.36 . . . . 63.33 110.777 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 61.8 tttp -56.25 -60.33 3.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.677 0.751 . . . . 74.25 109.709 173.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -51.94 -48.0 64.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.812 -1.54 . . . . 73.12 111.68 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.88 -45.64 94.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.801 0.334 . . . . 72.34 111.148 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.62 -42.81 86.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.345 -0.389 . . . . 65.42 110.466 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -64.2 -36.82 85.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.469 . . . . 51.11 110.994 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.68 -39.56 93.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.3 -0.409 . . . . 63.01 111.428 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -79.36 -32.74 43.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.769 0.285 . . . . 72.34 111.769 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 p -74.1 -29.35 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.0 -0.28 . . . . 70.14 111.573 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -55.32 -42.92 74.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.946 0.403 . . . . 63.24 111.841 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -65.45 -30.63 71.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.284 -0.416 . . . . 63.45 111.758 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.355 0.598 . . . . 70.12 109.631 179.136 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.895 -0.78 . . . . 72.12 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mm -83.62 -33.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.589 0.709 . . . . 74.22 110.122 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 89.0 mt -94.83 124.91 47.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.349 -0.841 . . . . 71.43 111.433 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -104.06 -168.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.5 -0.773 . . . . 75.21 110.347 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.82 163.68 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.442 0.534 . . . . 72.01 112.442 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.61 -176.5 39.71 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.182 -0.767 . . . . 54.45 111.182 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.95 -30.44 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.654 0.74 . . . . 65.53 109.781 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -81.42 -5.02 57.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.961 -1.018 . . . . 72.25 109.941 177.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.66 138.05 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 73.41 111.098 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.92 113.4 7.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.74 -0.664 . . . . 70.34 109.692 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 4.5 p-10 -106.3 142.56 35.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.082 0.468 . . . . 72.12 110.893 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 t -124.7 132.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.557 -0.747 . . . . 63.52 109.697 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -104.88 110.7 23.17 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.289 -0.869 . . . . 71.25 110.042 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 12.4 mt -99.77 136.77 29.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.25 -0.432 . . . . 55.54 110.151 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -151.35 142.29 22.99 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.867 -0.606 . . . . 75.14 110.061 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.97 -166.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.163 -0.471 . . . . 53.33 110.226 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.81 -30.65 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 74.24 110.985 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -135.27 154.47 51.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 63.3 111.085 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 ttmp? -59.21 -34.2 71.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.823 -0.626 . . . . 70.12 110.854 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.37 -42.86 74.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 74.45 111.349 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.03 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 44.44 110.219 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD22 ' A' ' 59' ' ' LEU . 11.2 mp -58.36 -49.09 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.634 . . . . 74.34 110.507 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 49.0 mt-10 -60.24 -42.17 94.69 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.916 -0.584 . . . . 54.11 111.165 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.1 m -62.47 -52.28 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 54.23 110.969 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.77 -40.83 97.66 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.167 -0.47 . . . . 64.41 111.052 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.9 tp -57.79 -51.22 70.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.04 -0.527 . . . . 71.21 110.307 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.5 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.489 -0.778 . . . . 74.14 111.166 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.86 -41.03 97.88 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.29 -0.414 . . . . 72.01 111.134 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.01 -40.38 75.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.406 -0.361 . . . . 72.14 111.079 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.412 HG22 ' HE3' ' A' ' 39' ' ' LYS . 67.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 73.24 110.428 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.16 -46.75 89.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.308 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.05 -35.67 75.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 73.13 110.062 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.33 86.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.551 . . . . 64.22 110.712 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' HG22 ' A' ' 35' ' ' ILE . 85.5 mttt -69.47 -26.62 64.66 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.11 0.481 . . . . 71.22 110.5 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 t -69.06 -36.26 77.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 73.23 110.226 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -88.64 -42.22 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.4 111.387 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 65' ' ' PHE . 44.7 t -130.49 135.22 47.73 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.293 0.568 . . . . 71.31 110.289 -174.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.87 -44.17 20.95 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.466 -0.788 . . . . 72.43 111.093 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.56 60.03 0.35 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.997 -0.62 . . . . 60.34 111.947 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.06 131.97 37.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.842 0.353 . . . . 64.22 111.114 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.73 140.45 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.262 -0.644 . . . . 65.11 109.262 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 45.6 p90 -144.47 151.65 39.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.303 0.573 . . . . 72.35 111.388 177.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 13.1 m120 -120.96 161.63 21.28 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 75.32 109.437 175.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 59' ' ' LEU . 60.4 t -141.02 149.81 20.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.362 -0.835 . . . . 73.04 108.962 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 46.0 m -70.58 179.58 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 74.42 110.887 177.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.72 117.6 16.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 73.33 110.918 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.92 113.7 20.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 64.43 110.457 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 p -139.4 172.21 13.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.515 -0.766 . . . . 53.25 109.311 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -43.21 82.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 71.55 110.915 -178.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -106.48 46.45 0.92 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.152 0.426 . . . . 73.55 112.152 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -84.78 95.51 8.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.187 -1.042 . . . . 52.33 108.187 165.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -2.88 55.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.5 . . . . 65.04 109.873 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 156.51 18.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.493 -0.776 . . . . 63.04 110.044 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 HD23 ' A' ' 27' ' ' LEU . 2.5 pt? -152.2 148.99 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.045 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.6 m -113.21 115.2 27.85 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.166 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.39 113.42 26.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.001 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.583 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 24.3 mtp180 -98.7 116.41 30.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.243 -0.435 . . . . 75.45 109.952 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -103.15 126.62 50.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.153 0.283 . . . . 53.01 110.333 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -119.9 115.12 23.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.449 -0.574 . . . . 51.41 109.449 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HD2' ' CB ' ' A' ' 42' ' ' CYS . 71.4 m-85 -86.32 -173.65 4.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.655 -0.702 . . . . 63.31 110.572 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -81.22 -39.1 25.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.132 0.491 . . . . 65.02 110.036 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -135.07 161.65 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.7 -0.682 . . . . 61.41 110.453 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.7 m -65.65 -27.49 68.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.245 -0.434 . . . . 51.34 111.406 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.77 84.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 73.51 110.93 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 66.0 mt-10 -67.29 -35.06 78.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.606 . . . . 64.15 110.271 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.89 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.2 tmmm? -62.59 -51.26 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.502 -0.772 . . . . 53.21 109.665 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.8 mt -53.52 -47.07 70.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.971 . . . . 74.33 111.468 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.06 -44.13 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 64.31 111.018 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 74.23 110.549 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 6.9 mm-40 -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 74.12 110.674 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -39.38 91.35 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.213 -0.449 . . . . 75.15 111.788 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.46 -39.18 67.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.439 -0.346 . . . . 74.15 111.305 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.443 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 12.6 p -72.45 -21.3 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.922 0.342 . . . . 75.22 111.922 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 2.3 mmp_? -55.44 -50.59 69.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.839 0.352 . . . . 71.25 111.647 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -87.25 -12.17 47.5 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.389 -0.369 . . . . 73.24 111.652 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 15.8 tp . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.17 0.51 . . . . 55.51 109.731 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.944 0.402 . . . . 74.01 110.261 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.24 -46.81 9.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 107.612 -1.255 . . . . 71.2 107.612 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.2 mt -106.36 131.94 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.408 -1.269 . . . . 64.52 109.082 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -94.39 -177.49 4.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.38 -0.373 . . . . 72.35 110.494 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -59.09 163.49 3.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.329 0.585 . . . . 64.34 111.473 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.11 -177.03 47.79 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.02 -1.232 . . . . 73.5 110.02 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -30.36 66.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 117.141 0.47 . . . . 73.14 111.654 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 -0.32 23.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.249 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -103.92 121.53 55.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.003 -0.279 . . . . 62.54 110.998 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.742 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -115.05 111.97 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.621 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 19.7 t70 -88.83 136.42 33.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 74.15 110.381 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 145.79 35.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.886 -1.052 . . . . 73.23 109.695 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -130.42 110.39 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.114 0.483 . . . . 72.44 110.314 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.477 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 17.2 mt -100.62 141.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.847 -0.615 . . . . 72.2 110.0 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -142.55 151.94 42.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.375 -0.375 . . . . 54.13 110.493 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.03 -172.2 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 73.25 110.255 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -72.13 -35.83 69.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.133 0.419 . . . . 73.21 112.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -143.66 162.4 36.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 74.22 111.744 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 52' ' ' LEU . 76.8 tttt -58.71 -36.67 74.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 75.41 110.552 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -51.12 -44.02 61.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.235 -0.893 . . . . 74.13 111.137 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.92 -44.19 73.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 73.25 110.462 178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 59' ' ' LEU . 10.8 mp -53.78 -49.29 68.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.563 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.83 -36.16 71.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.339 -0.846 . . . . 73.44 111.504 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -76.7 -47.88 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 71.1 111.111 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 4.9 mm-40 -65.41 -39.69 92.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.218 -0.446 . . . . 65.4 111.268 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 59' ' ' LEU . 29.6 tp -55.87 -44.38 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.157 0.504 . . . . 75.14 110.418 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.27 70.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.24 -0.891 . . . . 70.43 111.118 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -66.79 -40.26 88.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.65 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -68.28 -40.55 81.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 75.21 111.183 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.36 -38.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.249 0.547 . . . . 72.03 109.889 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.42 -43.74 96.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.538 -0.756 . . . . 72.25 111.364 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 81' ' ' LEU . 75.4 mt -66.4 -34.17 77.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.437 . . . . 65.14 110.52 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 73.14 110.442 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.88 -32.31 71.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.921 -0.581 . . . . 74.15 110.894 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.3 t -65.93 -33.07 74.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.957 -0.565 . . . . 72.02 110.212 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -88.37 -49.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.006 -0.543 . . . . 75.11 111.27 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 38.0 t -128.79 129.68 45.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.327 0.584 . . . . 65.53 110.838 -172.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.72 -31.1 46.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.5 -0.773 . . . . 60.31 110.591 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.15 39.55 2.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.85 -0.69 . . . . 44.34 112.112 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.2 p -75.32 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 71.34 110.588 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -132.21 129.8 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.303 -0.629 . . . . 73.21 109.303 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -131.11 156.59 44.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 64.12 112.761 -170.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.7 167.32 11.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.701 -1.136 . . . . 74.35 108.667 171.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.75 148.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.189 -0.46 . . . . 74.45 109.995 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.8 m -70.22 173.21 6.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.851 0.358 . . . . 74.22 110.508 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.58 137.47 42.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.964 0.412 . . . . 73.23 110.695 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 96.3 mt -98.23 120.76 39.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 64.03 111.383 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -124.54 178.38 5.45 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 74.12 109.089 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.42 -11.91 59.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.062 0.458 . . . . 71.1 110.665 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -83.41 -14.03 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.748 -0.66 . . . . 63.24 110.498 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -72.44 122.35 21.1 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.947 -0.569 . . . . 64.14 111.048 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -121.61 7.5 10.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.645 -1.243 . . . . 72.42 107.645 175.186 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.79 140.59 16.1 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 113.639 -1.619 . . . . 65.21 109.245 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -143.97 153.28 42.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.959 0.409 . . . . 72.0 110.3 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.589 HG22 HH21 ' A' ' 62' ' ' ARG . 4.3 m -120.08 127.58 52.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.925 -0.58 . . . . 72.11 110.351 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.68 137.27 36.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 64.34 110.376 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.589 HH21 HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER -117.77 130.09 56.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.789 0.328 . . . . 65.42 110.657 -178.04 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -103.12 117.35 34.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.269 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.55 115.66 28.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 75.01 109.844 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -96.55 -164.67 1.18 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.677 -0.692 . . . . 72.13 109.43 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -95.76 -45.32 7.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.843 0.354 . . . . 72.54 110.984 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.15 164.29 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.583 -0.28 . . . . 74.43 111.624 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -65.53 -29.63 70.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.101 -0.5 . . . . 55.45 111.456 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.74 -35.04 78.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.602 -0.726 . . . . 75.14 111.524 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.36 -32.0 72.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 74.1 110.82 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.742 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 38.2 ttmt -58.4 -56.98 15.17 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.861 0.839 . . . . 62.5 109.51 172.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.29 -50.94 61.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.625 -1.625 . . . . 70.51 111.647 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.8 mt -57.88 -45.1 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.783 0.325 . . . . 74.12 111.131 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.52 -49.7 72.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.289 -0.414 . . . . 62.33 110.737 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 7.4 mm-40 -67.32 -28.35 67.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 62.1 112.239 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 76' ' ' LEU . 19.2 mt -65.25 -37.37 87.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.137 0.494 . . . . 63.13 110.179 174.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.52 -35.5 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 72.03 111.382 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.0 p -67.93 -29.56 68.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.895 0.379 . . . . 65.14 110.499 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 9.1 mmm180 -61.09 -47.34 86.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.28 -0.418 . . . . 73.41 111.328 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -81.26 -15.41 55.63 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.201 0.445 . . . . 75.42 112.201 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 121.003 0.43 . . . . 64.41 110.638 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 73.7 m-85 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.088 -0.338 . . . . 72.55 110.088 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.32 -56.17 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.595 -0.521 . . . . 74.44 109.595 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' A' ' 64' ' ' LYS . 67.2 mt -69.73 121.6 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 74.41 110.736 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -94.86 -173.83 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.639 -0.709 . . . . 61.01 110.509 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.1 164.34 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.357 0.599 . . . . 75.22 112.61 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.26 173.19 39.42 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.208 -1.157 . . . . 60.31 110.208 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.94 -18.91 45.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 117.396 0.598 . . . . 74.53 110.707 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.51 8.18 42.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.589 . . . . 71.52 110.567 175.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.65 120.79 61.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 74.33 110.774 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -125.84 120.55 30.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.191 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.915 ' HB3' ' HG3' ' A' ' 62' ' ' ARG . 9.3 p-10 -99.58 143.17 30.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.328 0.585 . . . . 73.44 110.868 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.12 130.64 71.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.303 -0.862 . . . . 61.34 109.737 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.5 m -113.18 116.12 29.32 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.545 -0.752 . . . . 72.15 109.678 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.7 mt -98.09 140.78 17.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.431 . . . . 74.25 109.878 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 23.8 m-85 -123.08 133.6 54.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.927 -0.579 . . . . 74.42 109.457 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -159.84 -176.81 5.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.723 0.297 . . . . 72.12 111.02 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.38 -25.55 20.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.989 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -130.5 154.27 47.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.092 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 31.8 ttpt -65.18 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.448 -0.575 . . . . 73.42 109.448 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.46 -44.68 80.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.336 -0.847 . . . . 63.33 110.658 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.77 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 64.02 110.639 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.669 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.3 mp -57.58 -53.14 61.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.085 -0.507 . . . . 54.32 110.393 174.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' OE1' ' HE3' ' A' ' 24' ' ' LYS . 47.4 mt-10 -61.4 -39.26 90.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.652 -0.703 . . . . 74.21 111.403 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.554 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m -67.09 -51.2 57.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.401 -0.363 . . . . 71.45 111.089 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -60.77 -40.91 94.28 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.984 0.421 . . . . 74.13 110.762 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 35' ' ' ILE . 22.5 tp -55.36 -49.02 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.427 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.07 66.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.617 -0.719 . . . . 65.34 111.801 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' SER . 68.0 mmtt -70.28 -40.11 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.116 0.484 . . . . 71.02 110.012 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -74.97 -32.49 61.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.574 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 31' ' ' LEU . 77.0 mt -62.71 -39.2 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.042 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.53 -46.14 91.19 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.132 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 81' ' ' LEU . 60.3 mt -55.16 -43.04 73.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 71.4 110.784 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.16 75.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.047 -0.524 . . . . 51.31 110.701 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -71.85 -23.51 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 75.23 111.339 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 t -76.17 -28.93 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 73.54 110.552 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.22 -38.28 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 65.55 111.467 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.679 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 1.8 p -145.52 145.76 31.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.176 0.512 . . . . 65.53 111.245 -173.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.15 14.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.513 -0.767 . . . . 73.02 110.76 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.16 29.11 5.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.103 -0.57 . . . . 70.11 112.842 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.2 p -91.81 132.38 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.971 0.415 . . . . 54.33 110.946 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.83 147.21 44.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.591 -0.892 . . . . 52.41 108.591 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' C ' HD22 ' A' ' 48' ' ' ASN . 12.6 p90 -137.15 141.75 42.23 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.706 0.765 . . . . 73.01 112.418 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -111.63 169.73 8.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.848 -1.069 . . . . 71.31 109.662 175.399 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.25 151.35 12.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.957 -0.565 . . . . 73.11 110.258 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -69.66 177.94 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 65.31 110.577 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -82.86 134.23 35.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.851 0.358 . . . . 73.13 110.274 179.24 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 6.5 mp -90.02 124.4 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.45 110.189 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p -125.84 -168.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.522 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.42 -41.2 80.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.06 0.457 . . . . 63.21 110.677 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -112.49 19.75 17.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.537 -0.756 . . . . 74.23 112.091 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -68.81 101.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.263 0.554 . . . . 43.02 111.229 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -104.79 6.43 33.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.446 -0.797 . . . . 72.54 109.897 175.659 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.677 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 47.6 mt-10 -142.56 140.39 31.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.077 -0.965 . . . . 64.32 109.666 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.669 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.9 pt? -148.02 145.66 28.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.954 0.407 . . . . 72.45 109.967 172.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 55.1 m -111.0 113.08 25.37 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.77 -0.65 . . . . 55.51 110.494 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.12 115.61 30.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.973 -0.558 . . . . 75.51 109.587 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.915 ' HG3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -100.78 115.53 30.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.934 -0.395 . . . . 74.32 109.934 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.3 m-85 -100.87 118.15 36.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 73.14 110.477 -176.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.581 ' HB2' HG21 ' A' ' 8' ' ' ILE . 13.7 tmtt? -101.7 107.66 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.312 -0.625 . . . . 73.22 109.312 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 78.3 m-85 -82.87 -172.93 4.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.755 . . . . 75.42 110.011 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -101.75 -42.95 5.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 120.785 0.326 . . . . 64.12 110.307 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.62 163.17 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 53.42 110.501 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -66.93 -26.54 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 60.53 111.815 -176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.9 72.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.503 . . . . 74.13 110.721 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.14 -41.51 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.318 0.58 . . . . 71.42 110.316 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 13.0 tmtt? -58.42 -55.9 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.813 -1.085 . . . . 71.23 110.616 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.18 -42.75 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.286 -0.87 . . . . 75.34 111.591 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 76' ' ' LEU . 76.5 mt -61.26 -39.06 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 73.42 110.975 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.42 -42.45 98.76 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.116 0.484 . . . . 70.01 110.272 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 35.4 mt-10 -68.69 -31.28 70.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 65.52 111.423 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 73' ' ' ILE . 90.2 mt -69.03 -48.84 61.91 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 120.924 0.392 . . . . 70.13 110.744 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 81' ' ' LEU . 68.3 mttm -61.5 -47.45 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 71.41 111.397 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.561 -0.29 . . . . 64.45 111.771 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 21.1 mtm180 -66.23 -43.98 85.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.691 0.256 . . . . 75.42 111.691 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.1 t -88.94 -34.48 16.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.599 0.238 . . . . 45.21 111.517 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.6 tp . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 63.32 110.424 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.666 -0.494 . . . . 73.31 109.666 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.613 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.4 mt -57.09 -56.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.94 0.4 . . . . 72.14 110.762 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.5 mt -93.92 137.07 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.338 -0.392 . . . . 73.11 109.955 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -87.53 -175.76 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.904 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.72 171.42 15.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.611 0.719 . . . . 73.12 112.097 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.02 167.91 20.36 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.237 -1.145 . . . . 63.42 110.237 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 68' ' ' SER . 34.7 t70 -75.14 -19.19 60.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.867 0.833 . . . . 74.23 110.302 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -87.42 -7.03 58.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.815 -0.63 . . . . 74.41 110.087 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.21 121.01 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.909 -0.587 . . . . 74.34 110.669 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.47 104.34 13.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.35 -0.386 . . . . 72.21 110.112 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.624 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 28.1 t70 -88.97 130.81 35.39 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.312 0.577 . . . . 40.04 109.75 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.1 139.61 45.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 114.995 -1.002 . . . . 61.44 110.534 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -112.97 112.29 23.64 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.883 -0.599 . . . . 54.42 109.925 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' HB ' HD21 ' A' ' 59' ' ' LEU . 34.3 mt -98.17 145.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.412 -0.588 . . . . 61.03 109.412 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.38 151.84 46.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.849 0.357 . . . . 60.14 111.215 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -172.69 172.49 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.778 -0.823 . . . . 75.55 108.778 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -80.2 -25.23 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.572 0.582 . . . . 74.53 112.572 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -126.76 147.85 49.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 65.12 111.84 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 53' ' ' THR . 59.5 tttm -56.09 -42.08 76.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.611 -0.722 . . . . 63.22 110.364 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.95 -44.63 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 70.25 111.207 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.84 96.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.139 -0.482 . . . . 72.1 110.736 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.659 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.2 mp -54.94 -54.15 46.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.214 0.531 . . . . 63.41 110.218 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.88 -41.95 98.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.237 -0.892 . . . . 75.1 111.714 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.3 m -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 62.21 111.497 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.468 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 34.1 tt0 -73.8 -42.71 60.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.899 0.38 . . . . 64.45 110.026 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 35' ' ' ILE . 26.2 tp -53.09 -46.07 68.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.63 -0.714 . . . . 70.24 110.667 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.18 65.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 41.23 111.59 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.6 mmtt -74.93 -35.55 62.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.699 0.285 . . . . 63.44 111.124 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 8.3 m-85 -67.29 -38.58 85.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.884 -0.413 . . . . 70.33 109.884 173.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -65.74 -38.68 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.24 -0.437 . . . . 65.33 110.186 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.4 -48.41 81.85 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.136 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.497 HD22 ' HD3' ' A' ' 77' ' ' LYS . 77.7 mt -63.79 -33.42 75.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.717 . . . . 74.41 110.587 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.1 -46.25 81.83 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.1 -0.5 . . . . 55.33 110.859 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.8 -30.84 71.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 70.34 111.129 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t -72.43 -27.58 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 54.44 110.286 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -94.77 -43.44 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.213 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.4 t -139.94 122.1 15.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.989 0.423 . . . . 50.01 110.641 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.56 58.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.817 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.63 49.82 0.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.789 -0.719 . . . . 64.31 112.078 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 38' ' ' ALA . 6.6 p -90.55 118.73 36.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.3 0.571 . . . . 73.23 111.123 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.51 133.18 34.22 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.517 -0.549 . . . . 74.22 109.517 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 24.9 p90 -143.47 140.03 30.16 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.515 0.674 . . . . 52.5 112.286 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 12.1 m120 -110.43 167.36 10.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.996 -1.113 . . . . 74.22 107.996 173.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.25 159.49 3.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.902 -0.407 . . . . 63.22 109.902 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 m -67.7 170.6 7.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.858 -0.423 . . . . 72.14 109.858 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.04 133.22 34.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.059 0.457 . . . . 73.14 109.933 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.4 mt -89.9 138.2 31.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.111 -0.495 . . . . 72.01 110.666 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 23.1 p -129.1 178.93 6.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.837 -0.62 . . . . 74.11 109.513 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -55.83 -41.73 74.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.721 0.296 . . . . 54.42 111.757 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -122.25 36.39 4.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.106 0.41 . . . . 61.34 112.106 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 p -69.28 112.45 5.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.897 -0.721 . . . . 54.35 109.25 170.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -94.94 3.98 54.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 64.53 110.438 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -146.39 148.47 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 60.44 110.725 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.577 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.2 pt? -151.35 132.32 14.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.384 0.611 . . . . 74.41 109.728 170.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.427 HG22 HH21 ' A' ' 62' ' ' ARG . 18.4 m -107.08 115.48 30.26 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.363 -0.835 . . . . 74.54 109.905 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -120.96 129.24 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.863 -0.608 . . . . 73.31 110.555 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -107.33 117.29 33.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.442 . . . . 74.11 110.826 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.07 106.94 18.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.585 -0.734 . . . . 64.41 110.341 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 65' ' ' PHE . 10.7 tmtt? -93.6 119.7 32.96 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.576 -0.527 . . . . 73.21 109.576 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' HE2' ' A' ' 64' ' ' LYS . 86.3 m-85 -99.15 173.68 6.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.842 -0.617 . . . . 72.14 110.282 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -81.17 -36.66 29.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 72.55 110.459 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 35.6 m -129.17 155.76 41.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.096 -0.502 . . . . 61.31 110.042 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.424 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 1.4 m -65.51 -20.88 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 53.13 111.044 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.95 85.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.161 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 86.0 mt-10 -62.13 -33.68 74.94 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.022 0.439 . . . . 63.04 110.277 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -58.83 -54.24 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.731 . . . . 75.24 110.19 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 95.3 mt -57.27 -45.27 84.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.988 -1.005 . . . . 72.55 111.362 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.9 mt -60.03 -38.57 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.83 0.347 . . . . 73.42 110.891 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.32 -46.81 78.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.374 -0.375 . . . . 73.42 110.261 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.93 -30.96 71.25 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.028 -0.533 . . . . 62.54 111.072 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 63.7 mt -66.64 -41.63 87.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.021 0.439 . . . . 74.44 110.764 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.497 ' HD3' HD22 ' A' ' 37' ' ' LEU . 53.9 mttp -71.41 -40.5 70.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 62.1 111.217 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 p -63.68 -35.51 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.098 -0.241 . . . . 72.3 110.966 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -57.36 -44.54 84.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.859 0.361 . . . . 72.03 111.765 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 m -80.35 -34.75 36.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 112.629 0.603 . . . . 22.25 112.629 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.328 0.585 . . . . 32.04 110.338 -179.416 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 112.989 0.736 . . . . 72.42 112.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.432 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 58.6 mt -79.07 -59.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.461 -0.79 . . . . 75.21 110.727 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.569 HD13 ' HB2' ' A' ' 64' ' ' LYS . 81.9 mt -89.58 131.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 64.23 110.365 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -84.56 166.75 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 74.15 111.3 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.24 172.72 8.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 75.43 111.933 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.6 -145.64 9.18 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.697 -0.683 . . . . 63.53 111.503 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -118.34 -8.62 10.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.358 0.599 . . . . 72.43 110.007 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.6 -0.98 23.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.275 -0.875 . . . . 73.53 109.26 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -115.56 135.46 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 63.43 110.24 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.658 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -134.22 134.64 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.758 -0.46 . . . . 72.44 109.758 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -106.69 141.54 37.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.98 0.419 . . . . 71.4 110.687 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.53 125.41 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.694 -0.685 . . . . 71.33 110.045 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -108.93 110.87 22.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.413 -0.812 . . . . 52.53 109.59 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.3 mt -99.16 142.77 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.091 -0.504 . . . . 65.13 110.718 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.85 138.95 54.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.532 -0.758 . . . . 75.3 109.011 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.4 173.1 11.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.862 0.363 . . . . 62.32 111.138 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.76 -42.21 67.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.771 -0.649 . . . . 72.02 110.541 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -131.8 165.61 23.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 61.42 110.936 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.69 -45.36 85.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.61 -0.723 . . . . 71.24 110.789 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.55 -39.56 91.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 71.14 110.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.67 88.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 63.31 110.448 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.9 tp -57.59 -50.0 74.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.621 -0.718 . . . . 64.14 109.67 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.87 -40.66 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.834 -1.075 . . . . 73.0 111.454 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -63.13 -47.62 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 71.23 111.17 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -35.4 74.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.357 -0.383 . . . . 74.41 110.782 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -55.96 -50.53 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 74.23 110.343 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.22 63.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.138 -0.937 . . . . 71.45 111.531 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.14 -41.84 81.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.64 0.257 . . . . 72.15 110.628 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -68.63 -38.78 80.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.77 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.22 -43.37 96.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.162 0.506 . . . . 75.54 110.244 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 73.11 110.881 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.27 -38.17 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.766 -0.652 . . . . 75.22 110.25 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.71 65.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 73.34 111.198 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -69.92 -22.54 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.33 111.337 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t -73.58 -24.43 60.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.135 -0.484 . . . . 44.23 109.842 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -95.07 -47.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 31.55 110.941 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.646 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 6.3 p -134.47 134.1 41.14 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.076 0.465 . . . . 73.34 110.988 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 -24.4 21.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.673 -0.694 . . . . 73.33 110.283 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 50.02 1.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.949 -0.569 . . . . 70.31 111.871 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.646 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.5 p -104.66 132.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 65.22 111.445 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -104.65 134.14 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.884 -0.784 . . . . 74.45 108.884 171.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 20.6 p90 -130.67 138.72 50.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.514 0.673 . . . . 64.43 112.141 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.432 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 8.3 m120 -107.93 154.77 21.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.077 -0.965 . . . . 74.54 108.879 174.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.95 136.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 108.512 -0.921 . . . . 62.3 108.512 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.18 176.27 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.055 0.455 . . . . 61.42 111.021 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.65 139.47 37.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.936 -0.575 . . . . 62.33 110.253 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.43 145.02 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -130.42 -169.02 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.072 -0.344 . . . . 73.11 110.072 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.41 -38.44 89.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.993 0.425 . . . . 55.3 111.225 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -121.52 29.61 7.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.477 -0.329 . . . . 65.52 111.813 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.418 ' O ' HD22 ' A' ' 27' ' ' LEU . 1.7 p -65.97 98.29 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.208 0.528 . . . . 74.42 110.664 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -97.21 5.01 50.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.216 -0.902 . . . . 74.04 109.854 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -146.4 150.26 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 64.44 110.201 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.8 pt? -155.45 154.24 31.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.438 -0.579 . . . . 75.2 109.438 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 m -115.79 117.12 29.33 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.322 -0.399 . . . . 74.11 110.335 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.01 121.08 43.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.619 . . . . 70.53 110.591 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 tpp85 -100.47 115.38 29.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.849 -0.614 . . . . 70.44 109.796 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.69 119.0 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 61.14 111.44 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.569 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -102.14 103.48 14.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.761 -0.829 . . . . 74.24 108.761 176.717 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -84.82 160.25 20.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.637 -0.505 . . . . 74.45 109.637 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -55.29 10.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.477 -0.329 . . . . 53.31 110.266 -175.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.27 161.09 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.304 . . . . 52.33 110.88 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.0 m -62.18 -29.68 70.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 71.34 111.651 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.19 -43.06 99.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 54.41 111.223 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.63 -33.52 76.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 70.32 110.586 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.658 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -60.98 -52.82 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.511 -0.768 . . . . 74.43 109.624 176.579 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -58.05 -38.83 77.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.642 -1.163 . . . . 71.33 111.605 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.9 mt -60.89 -46.74 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.774 0.321 . . . . 73.32 110.986 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -58.8 -41.2 86.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.33 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 51.8 mt-10 -67.04 -42.8 84.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.811 -0.631 . . . . 71.14 110.83 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -58.42 -40.3 82.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 120.956 0.408 . . . . 61.4 110.943 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 50.5 mtpt -71.92 -36.49 69.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 74.24 111.317 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 4.6 p -75.97 -20.57 57.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.902 0.334 . . . . 64.34 111.902 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 7.4 mmp_? -57.28 -54.63 44.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.052 0.453 . . . . 70.22 110.528 176.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -74.62 -15.33 60.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.693 -0.685 . . . . 33.24 111.505 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 13.7 tp . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 121.047 0.451 . . . . 74.35 110.663 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 97.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 75.31 110.815 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.0 -54.1 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 64.55 110.282 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 64' ' ' LYS . 91.5 mt -80.09 134.17 28.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.644 -0.707 . . . . 71.34 110.037 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 45.1 mtmt -82.29 173.77 11.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.85 -0.614 . . . . 61.44 111.061 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 168.81 9.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.942 -0.572 . . . . 55.22 110.412 172.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.05 171.35 31.18 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.59 -0.814 . . . . 34.22 112.611 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.11 -35.65 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.536 0.684 . . . . 71.13 110.918 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.64 13.29 28.79 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.082 -0.963 . . . . 72.44 110.981 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.95 133.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 51.5 110.8 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.36 113.69 7.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.381 -0.372 . . . . 40.41 110.151 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.595 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 3.4 p30 -98.05 133.9 41.89 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.532 0.682 . . . . 71.35 110.742 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.46 135.53 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.056 -0.975 . . . . 54.25 109.731 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 73.8 m -102.44 126.78 49.58 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.704 -0.68 . . . . 61.31 110.113 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 57.3 mt -98.82 142.8 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.28 -0.873 . . . . 74.12 110.052 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.13 134.52 47.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.934 -0.575 . . . . 73.25 109.936 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -161.81 -175.35 4.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.609 -0.723 . . . . 60.11 109.972 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.96 -34.21 20.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 111.779 0.289 . . . . 60.42 111.779 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -134.92 162.22 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.831 0.308 . . . . 75.42 111.831 -173.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 52' ' ' LEU . 79.1 tttt -54.61 -43.67 72.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.701 -0.681 . . . . 61.02 110.292 172.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -53.46 -49.23 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.903 -1.044 . . . . 75.42 111.196 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.02 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.494 . . . . 42.44 110.603 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.1 mp -55.2 -51.08 67.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.016 -0.538 . . . . 73.31 110.682 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -59.92 -38.98 83.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.945 -0.57 . . . . 54.52 111.333 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 m -63.9 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.078 0.466 . . . . 54.21 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.57 -36.8 73.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.968 -0.56 . . . . 64.33 111.342 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.74 -46.72 86.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 74.02 110.026 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.74 69.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.269 -0.878 . . . . 53.11 111.383 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -65.01 -45.94 83.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.811 0.338 . . . . 72.12 111.076 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.32 -43.71 93.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.591 . . . . 74.24 111.371 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.74 -41.53 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 75.43 110.325 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -46.14 89.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 75.21 110.384 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -58.97 -37.83 77.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.737 -0.665 . . . . 72.44 110.707 177.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.43 -46.11 64.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 43.25 110.621 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 98.6 mttt -67.47 -25.96 66.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 74.23 111.117 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -70.55 -24.94 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.52 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -94.25 -39.44 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.023 0.439 . . . . 73.23 110.414 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 3.5 p -145.96 129.17 16.68 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.123 -0.49 . . . . 72.45 110.998 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.1 -15.17 36.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.014 0.435 . . . . 42.24 110.585 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.35 34.72 5.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.942 -0.646 . . . . 62.41 111.984 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -85.01 135.16 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.066 0.46 . . . . 61.02 111.083 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -104.55 124.77 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.904 -0.776 . . . . 74.25 108.904 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -136.87 147.01 46.23 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.295 0.569 . . . . 63.0 111.832 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -121.36 155.73 34.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.266 -0.879 . . . . 72.13 109.062 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 50' ' ' SER . 48.5 t -147.09 141.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.442 -0.799 . . . . 74.42 108.891 -176.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.8 m -66.41 165.46 14.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 63.1 109.609 173.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.04 133.03 34.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.577 -0.527 . . . . 63.25 109.577 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB3' ' HG3' ' A' ' 24' ' ' LYS . 6.1 mp -94.49 133.39 38.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.725 -0.671 . . . . 65.22 110.886 -172.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 11.3 p -124.59 174.26 7.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.803 -0.635 . . . . 72.23 109.559 172.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.03 -31.92 61.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.079 0.466 . . . . 73.22 111.85 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.1 -4.65 58.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.699 -0.682 . . . . 74.32 112.372 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -75.88 116.21 16.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.071 0.462 . . . . 54.52 110.746 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -109.44 1.91 20.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.343 0.592 . . . . 55.32 109.661 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.56 154.07 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.152 -0.931 . . . . 73.03 110.119 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.636 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.0 152.86 23.27 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.602 -0.518 . . . . 71.51 109.602 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.448 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 42.0 m -114.52 119.81 38.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.098 0.475 . . . . 70.12 110.476 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.52 28.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.841 -0.618 . . . . 50.44 109.686 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.595 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 37.1 ttm180 -92.62 116.18 28.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.396 -0.365 . . . . 74.23 110.485 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.01 119.37 38.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 71.55 110.294 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.501 ' HB2' HG21 ' A' ' 8' ' ' ILE . 14.4 tmtt? -107.11 116.07 31.28 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.118 -0.697 . . . . 75.32 109.118 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -98.69 -176.78 3.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.664 -0.698 . . . . 61.1 110.664 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.07 -41.22 12.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 61.1 109.954 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 164.09 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 75.32 110.568 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.7 m -67.82 -23.64 65.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 72.21 111.2 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.97 -48.38 82.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.0 -0.545 . . . . 54.04 110.796 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.49 -40.59 91.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.092 0.472 . . . . 61.12 110.237 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 3.0 tmmm? -56.42 -53.23 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.975 . . . . 60.03 109.722 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.61 -48.57 81.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.894 -1.048 . . . . 72.35 111.76 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.7 mt -61.63 -42.9 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.623 -0.262 . . . . 70.12 111.557 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.88 -44.64 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 65.5 110.136 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.717 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 25.6 mm-40 -63.59 -40.59 97.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.779 -0.646 . . . . 60.43 111.566 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.98 -40.71 96.99 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.773 0.321 . . . . 73.3 111.173 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.72 -43.05 85.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.44 111.242 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 22.3 p -66.44 -23.82 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 71.3 111.96 -175.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 16.7 mmt85 -58.6 -44.39 89.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.002 0.429 . . . . 73.01 110.616 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 m -84.24 -28.96 26.88 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.089 -0.505 . . . . 74.33 111.301 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 12.0 tp . . . . . 0 N--CA 1.447 -0.593 0 CA-C-O 121.155 0.502 . . . . 41.24 110.86 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.89 0.376 . . . . 75.14 110.151 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.4 mt -79.64 -36.22 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.524 . . . . 71.03 110.28 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -84.64 120.34 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.157 -0.474 . . . . 72.42 110.708 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' HG11 ' A' ' 14' ' ' VAL . 4.2 ttmp? -82.81 161.39 22.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.542 -0.754 . . . . 61.41 110.32 -178.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.08 170.43 9.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.73 0.412 . . . . 73.04 111.04 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.58 -174.73 42.66 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.803 -0.713 . . . . 70.45 112.142 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.01 -15.6 58.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.997 0.427 . . . . 74.52 110.676 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.71 14.04 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 74.51 110.418 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' ' 9' ' ' LYS . 47.4 t -130.07 138.27 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.793 -0.64 . . . . 74.44 111.027 -177.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.697 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -156.74 140.74 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.742 -0.466 . . . . 61.11 109.742 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.722 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 18.1 p30 -107.35 150.26 26.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.417 0.627 . . . . 62.44 110.818 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 t -121.27 133.11 68.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.374 -0.83 . . . . 50.42 109.528 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -104.93 110.79 23.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.463 -0.79 . . . . 72.44 109.555 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' HD21 ' A' ' 59' ' ' LEU . 22.4 mt -99.0 143.62 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.515 . . . . 62.33 110.613 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -128.46 140.6 51.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.684 -0.689 . . . . 74.33 109.351 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.765 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -155.53 -179.43 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.682 0.277 . . . . 74.12 111.069 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.84 -42.56 90.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 62.01 111.772 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.504 ' H ' ' HB3' ' A' ' 26' ' ' ALA . 24.3 p -146.18 169.74 18.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 72.43 111.796 -171.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -48.91 -50.81 33.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.509 -0.769 . . . . 62.32 111.086 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.05 -45.49 86.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.436 -0.802 . . . . 72.23 110.834 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 23' ' ' THR . . . -63.19 -37.77 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 62.42 111.101 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.7 mp -56.38 -53.94 51.47 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.118 -0.492 . . . . 71.12 110.127 174.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.37 -33.69 76.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 65.45 111.947 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -64.56 -46.59 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 53.01 110.959 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -71.47 -39.25 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 73.31 110.163 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.76 -45.41 85.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.729 -0.669 . . . . 75.44 110.434 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.53 -41.23 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.251 -0.886 . . . . 72.24 111.01 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.76 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 63.43 111.143 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.03 -36.43 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.46 -0.336 . . . . 73.12 110.681 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 72.3 mt -64.95 -40.99 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.22 0.533 . . . . 71.12 109.81 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -61.81 -43.3 99.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.108 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 64.05 109.954 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.07 76.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 51.34 110.701 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 4.1 mptp? -64.32 -28.83 69.98 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.241 -0.436 . . . . 70.42 110.757 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -68.82 -33.8 74.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.954 -0.566 . . . . 73.44 110.262 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -86.85 -43.35 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.335 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -148.4 137.0 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.098 0.475 . . . . 41.24 110.517 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.49 -10.06 56.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.982 -0.554 . . . . 62.41 110.788 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.09 34.59 4.77 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.948 -0.644 . . . . 64.41 112.098 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.58 126.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.323 0.582 . . . . 72.45 111.307 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.13 132.8 46.42 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.142 -0.688 . . . . 71.33 109.142 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 18.6 p90 -144.34 142.21 30.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.846 0.684 . . . . 72.41 112.846 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.99 160.74 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.853 -1.067 . . . . 65.55 108.125 170.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -145.52 137.97 20.74 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 109.322 -0.621 . . . . 63.2 109.322 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.92 147.07 30.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.912 -0.773 . . . . 54.53 108.912 173.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.05 146.1 30.8 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.484 -0.486 . . . . 62.24 110.073 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 149.78 29.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.783 -0.644 . . . . 74.35 110.883 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.65 -165.95 1.11 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.441 -0.8 . . . . 73.1 109.258 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.69 -53.92 19.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.908 -0.317 . . . . 72.21 111.14 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -109.52 28.25 8.73 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 72.42 111.866 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -65.02 120.28 12.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.293 0.568 . . . . 51.45 110.774 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -119.79 8.55 11.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.112 -0.949 . . . . 72.51 108.663 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.9 142.66 30.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.182 -1.372 . . . . 75.02 109.868 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.4 pt? -146.16 152.97 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.775 0.322 . . . . 73.51 110.136 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 m -116.99 115.52 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.356 -0.383 . . . . 71.34 110.695 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.16 114.84 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.998 -0.547 . . . . 52.42 110.708 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.722 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 22.1 tpp85 -92.96 115.4 28.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.915 -0.584 . . . . 71.32 109.782 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.35 138.12 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 73.25 111.486 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -129.21 133.58 47.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.661 -0.699 . . . . 71.42 109.85 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -109.37 -177.96 3.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 73.34 110.332 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.88 -52.1 8.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.502 . . . . 73.42 110.022 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.1 m -115.83 155.99 17.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.252 -0.431 . . . . 53.51 110.592 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -27.16 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 64.23 111.435 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -63.07 -45.1 93.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 72.51 110.911 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 56.7 mt-10 -60.09 -36.97 78.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.155 0.502 . . . . 71.24 110.748 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -62.14 -53.68 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 74.41 109.652 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 92.3 mt -60.35 -43.12 96.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.185 -0.916 . . . . 72.04 111.525 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 69' ' ' ALA . 35.3 mm -60.91 -40.91 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 71.11 110.975 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 75.5 110.084 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.93 -39.54 94.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.791 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 82.4 mt -66.94 -43.97 81.81 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.079 -0.51 . . . . 33.24 111.506 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.74 -34.68 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.753 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 p -68.6 -29.16 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.943 -0.303 . . . . 74.35 110.795 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.9 mmt180 -59.58 -43.69 93.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.874 0.369 . . . . 72.24 111.102 175.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 m -76.06 -17.81 59.48 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.104 -0.498 . . . . 52.12 111.544 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 121.385 0.612 . . . . 50.31 110.458 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.747 0.308 . . . . 73.42 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.0 -50.92 78.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.704 -0.68 . . . . 72.44 110.709 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.2 132.06 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 72.53 110.624 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -80.49 -175.86 5.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.657 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.89 177.24 8.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.964 0.411 . . . . 72.41 110.853 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.41 166.44 24.4 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.95 -0.643 . . . . 71.01 111.703 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.95 -14.42 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.066 0.46 . . . . 73.5 110.204 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -96.96 -4.67 39.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.515 0.674 . . . . 61.42 109.489 176.138 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -93.83 123.65 46.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 75.44 110.269 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 65' ' ' PHE . . . -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 35.45 110.261 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -88.42 129.38 35.44 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.177 -0.675 . . . . 73.3 109.177 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.94 138.58 53.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 121.297 0.57 . . . . 62.31 110.114 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 m -124.78 110.21 14.05 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.762 -0.653 . . . . 75.3 109.465 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -98.4 136.49 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.199 -0.667 . . . . 63.32 109.199 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -135.03 139.7 45.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.029 0.442 . . . . 74.13 111.34 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -166.64 170.01 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.176 -0.92 . . . . 54.32 108.784 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 67.9 mm-40 -86.28 -12.05 50.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.751 0.648 . . . . 74.14 112.751 -174.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.8 p -123.72 143.35 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.957 -0.297 . . . . 71.43 110.57 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.17 -35.21 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.37 0.605 . . . . 65.55 109.403 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.748 -1.114 . . . . 75.4 111.035 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.26 96.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.723 0.296 . . . . 40.4 110.601 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.3 mp -55.12 -48.95 72.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 73.31 110.359 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.75 -29.32 69.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.68 . . . . 72.23 111.697 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.7 m -77.19 -50.3 13.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 63.01 111.089 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -64.65 -38.6 91.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.279 -0.419 . . . . 53.21 111.054 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.0 -45.46 82.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.108 0.48 . . . . 71.41 110.419 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.96 -38.79 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.199 -0.909 . . . . 54.12 111.228 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.71 -38.93 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 75.11 111.354 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 59.0 m-85 -68.63 -38.64 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.453 -0.34 . . . . 72.54 110.392 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.04 -40.76 90.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 65.45 109.991 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -57.9 -48.88 78.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.742 -0.663 . . . . 63.3 111.1 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.47 -26.73 63.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.73 -0.668 . . . . 63.23 111.355 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.43 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 45.51 110.379 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 46.6 mtmt -64.28 -29.82 70.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.688 -0.687 . . . . 75.23 110.028 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -61.53 -34.77 76.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.202 -0.908 . . . . 74.42 110.417 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.57 -53.98 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.937 -0.574 . . . . 65.5 110.23 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 10.4 p -143.07 141.17 31.2 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.083 0.468 . . . . 51.43 110.713 -174.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.47 -25.17 22.75 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.694 -0.684 . . . . 72.04 110.091 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.83 44.62 2.53 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.743 -0.662 . . . . 73.21 112.366 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -98.16 122.82 50.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.018 0.437 . . . . 75.2 110.665 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.3 135.38 36.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.257 -0.646 . . . . 73.11 109.257 175.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 38.3 p90 -143.17 145.28 32.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.838 0.827 . . . . 63.04 112.325 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.94 167.12 12.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.759 -1.109 . . . . 75.31 108.337 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.78 152.83 5.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.932 -0.396 . . . . 65.54 109.932 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.74 161.64 27.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.7 -0.481 . . . . 60.21 109.7 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.64 133.16 34.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.072 0.463 . . . . 52.32 109.773 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.2 mm? -69.37 117.83 11.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.811 -177.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 p -91.09 -170.68 2.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.759 -0.655 . . . . 70.12 109.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.7 -34.01 64.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.864 0.32 . . . . 74.43 111.864 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -131.98 39.0 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.891 0.33 . . . . 73.03 111.891 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -65.97 113.84 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 51.05 110.359 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 35.1 mmtp -84.06 -21.31 31.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 73.14 109.839 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.24 145.88 30.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.431 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 59' ' ' LEU . 2.4 pt? -131.55 146.8 52.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.802 -0.635 . . . . 73.22 109.398 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -106.93 124.72 50.03 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.073 -0.512 . . . . 74.34 110.445 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.13 138.39 53.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.839 -0.619 . . . . 61.2 110.074 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 32.5 ttm180 -117.11 115.41 25.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.24 -0.436 . . . . 72.4 110.177 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -105.36 114.27 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 72.43 110.959 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -95.35 105.96 17.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 64.32 109.954 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 95.2 m-85 -88.22 169.91 11.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.191 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.06 -56.91 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.323 0.582 . . . . 75.11 109.958 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 70' ' ' GLU . 26.6 m -133.56 171.59 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.513 -0.767 . . . . 72.12 109.816 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.0 p -68.59 -22.35 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.877 0.37 . . . . 71.41 111.536 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 73.32 110.754 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 67' ' ' VAL . 9.5 mm-40 -61.43 -38.04 85.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.393 0.616 . . . . 73.35 109.892 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 30.4 ttpt -57.75 -57.25 13.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.968 -1.015 . . . . 64.44 110.511 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 68' ' ' SER . 94.6 mt -51.99 -43.35 63.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.665 -1.152 . . . . 52.34 111.651 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 75.2 mt -61.48 -46.72 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 63.31 110.47 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.59 -46.45 84.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 65.4 110.531 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 39.0 mt-10 -61.83 -37.89 86.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.905 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.53 -42.9 86.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.391 -0.368 . . . . 62.45 111.451 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 43.4 mtmt -72.89 -34.21 66.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.107 -0.237 . . . . 70.44 111.545 -177.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 p -69.55 -24.84 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.712 0.264 . . . . 74.35 111.712 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 98.8 mtt180 -59.95 -44.51 94.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.864 0.364 . . . . 74.13 110.909 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.34 -12.88 61.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.863 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 121.028 0.442 . . . . 75.02 110.771 -179.639 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.439 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 56.4 m-85 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.827 0.346 . . . . 64.15 111.836 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.7 mt -66.77 -65.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.586 -0.524 . . . . 64.14 109.586 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.2 120.92 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.305 -0.628 . . . . 72.03 109.305 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -79.38 -175.83 4.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.559 -0.746 . . . . 75.13 110.857 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.96 173.23 6.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.552 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.9 30.11 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 119.822 -1.18 . . . . 71.51 112.717 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.07 -20.46 13.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.702 0.763 . . . . 71.44 109.03 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -103.03 -4.07 25.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.558 -1.201 . . . . 72.2 109.138 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.78 126.46 55.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.267 -0.879 . . . . 55.01 110.57 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -111.95 104.4 12.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 65.04 109.48 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.7 134.75 34.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 65.25 110.155 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.71 139.66 50.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.568 -0.742 . . . . 74.52 110.575 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -109.56 116.36 31.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.203 -0.908 . . . . 73.31 109.063 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.552 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 14.0 mt -98.35 137.88 24.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.328 -0.396 . . . . 71.11 110.178 -174.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.8 137.93 53.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.852 -0.613 . . . . 71.14 110.407 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -160.73 160.13 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.992 -0.549 . . . . 73.51 110.131 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.03 -45.33 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.809 0.3 . . . . 74.03 111.809 -176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.5 p -107.39 151.88 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.068 -0.253 . . . . 74.02 111.127 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -61.05 -35.39 76.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.427 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.91 -43.9 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 74.42 110.481 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.82 98.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 60.43 110.509 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 21' ' ' ALA . 4.0 mp -55.28 -49.97 70.73 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.914 0.387 . . . . 72.32 110.62 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.01 -33.63 76.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 72.1 111.582 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -70.54 -50.1 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.538 -0.301 . . . . 54.13 110.958 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.27 -41.95 97.81 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.288 -0.415 . . . . 72.22 110.771 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 59' ' ' LEU . 52.3 tp -58.57 -51.22 70.84 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.903 -0.59 . . . . 50.23 109.93 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -51.49 -50.53 59.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.968 -1.014 . . . . 73.11 111.001 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -62.21 -39.39 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 72.12 111.742 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.497 -0.319 . . . . 65.44 110.341 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.4 -37.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.272 0.558 . . . . 74.14 109.607 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 25.7 mm-40 -63.37 -41.06 98.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.765 -0.652 . . . . 74.13 110.414 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HE3' ' A' ' 77' ' ' LYS . 2.5 tt -61.54 -38.14 86.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.694 -0.684 . . . . 75.43 109.978 174.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 40.33 110.838 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -63.25 -31.15 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.306 0.574 . . . . 72.12 110.536 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -72.41 -20.03 61.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 73.51 110.232 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -93.93 -47.16 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.735 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 t -147.36 139.83 24.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.897 0.38 . . . . 74.04 110.249 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -9.43 51.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.153 -0.476 . . . . 53.13 111.16 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.17 21.45 22.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 52.33 112.36 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.33 116.68 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.506 0.67 . . . . 63.42 111.639 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -90.85 138.1 31.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.469 -0.937 . . . . 74.33 108.469 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 55.3 p90 -142.73 155.78 44.92 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.626 -0.83 . . . . 73.0 112.781 -174.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 17.3 m120 -129.99 163.55 26.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.592 -1.185 . . . . 70.25 108.898 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.5 t -144.13 138.63 24.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.569 -0.742 . . . . 74.24 109.221 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 p -62.9 158.8 18.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 72.14 110.792 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 5.6 pt-20 -78.09 120.33 22.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.893 -0.594 . . . . 74.25 110.176 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD21 HD13 ' A' ' 59' ' ' LEU . 94.7 mt -76.35 144.23 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.345 -0.843 . . . . 71.34 111.12 -173.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.3 p -127.14 173.08 9.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.839 -0.618 . . . . 72.14 109.776 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.63 -48.12 82.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.414 -0.357 . . . . 72.15 111.672 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -115.26 44.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.626 0.602 . . . . 50.25 112.626 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -85.93 116.73 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.547 -0.909 . . . . 70.44 108.547 165.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -91.0 -2.9 57.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.162 0.506 . . . . 74.12 110.108 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.7 162.57 40.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 70.23 109.885 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.552 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -148.7 154.87 40.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 63.35 110.018 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.439 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 m -112.09 126.46 55.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.32 -0.4 . . . . 52.35 110.428 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.84 138.64 51.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.014 -0.539 . . . . 64.54 111.071 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.5 mmt180 -103.08 115.99 31.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.879 -0.6 . . . . 52.05 109.582 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.21 105.8 15.0 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.722 -0.391 . . . . 74.2 110.18 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -100.16 116.16 31.52 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 63.41 110.26 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -99.11 -171.3 2.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.011 -0.541 . . . . 70.02 110.073 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -87.31 -49.38 7.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.038 0.447 . . . . 75.12 110.51 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.41 157.01 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.885 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 m -62.66 -19.83 64.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 65.15 111.716 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -68.06 -37.96 81.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 65.21 111.105 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.34 -32.08 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.013 -0.539 . . . . 74.42 110.628 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 58.5 tttp -54.88 -59.39 4.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.839 0.828 . . . . 52.23 110.004 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -55.04 -47.56 74.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.092 -1.413 . . . . 75.15 111.698 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.8 mt -57.83 -45.59 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.738 0.304 . . . . 74.12 111.205 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.59 -44.86 95.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.411 . . . . 53.54 110.661 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.09 -28.96 69.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 62.45 111.216 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.72 -47.78 36.86 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.848 0.356 . . . . 73.45 111.314 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' A' ' 37' ' ' LEU . 32.5 mtmt -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 71.33 111.531 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -66.8 -31.23 71.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.599 0.238 . . . . 54.4 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 3.9 mmp_? -62.04 -44.05 97.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.855 0.359 . . . . 64.51 111.247 178.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -82.49 -12.78 57.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.297 -0.41 . . . . 72.24 111.411 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 121.064 0.459 . . . . 64.35 110.544 177.834 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.57 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 62.0 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.31 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -75.39 -52.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.734 -0.666 . . . . 74.32 110.212 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.35 131.08 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 71.45 110.438 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 13.0 tmtt? -81.43 155.94 25.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.082 -0.508 . . . . 75.0 110.057 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.651 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 4.1 tm-20 -53.83 162.76 0.84 Allowed 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 115.259 -0.882 . . . . 71.14 111.594 176.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.8 -177.55 43.08 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.391 -0.909 . . . . 40.15 112.816 -176.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.27 -40.2 96.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.243 0.544 . . . . 72.42 110.847 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.15 6.1 49.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.47 -0.786 . . . . 70.43 110.36 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -109.97 139.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.389 -0.823 . . . . 75.22 110.509 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -135.64 138.65 43.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.348 . . . . 72.14 110.422 175.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.95 138.38 35.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.062 0.458 . . . . 74.53 110.013 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.19 129.25 75.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.642 -0.708 . . . . 73.05 109.127 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 m -115.53 114.19 24.65 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.883 -0.598 . . . . 72.32 110.119 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 14.4 mt -97.95 134.8 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.037 -0.727 . . . . 73.24 109.037 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 29.2 p90 -140.42 140.95 35.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.026 -0.534 . . . . 75.41 110.621 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.32 -171.31 1.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.498 -0.773 . . . . 72.41 109.841 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.98 -15.17 23.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.708 -0.224 . . . . 63.41 111.261 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -130.22 143.75 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 74.32 111.542 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 54' ' ' GLU . 68.1 tttt -59.89 -38.95 83.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.499 0.666 . . . . 74.21 109.328 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.49 -45.29 66.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 70.21 111.495 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.47 91.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 55.25 110.251 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HD22 ' A' ' 59' ' ' LEU . 9.9 mp -54.72 -50.61 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 74.52 110.669 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.88 -41.57 98.03 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.024 -0.535 . . . . 75.3 111.526 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 m -63.92 -45.33 89.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 72.2 110.997 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -72.19 -37.9 69.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 116.043 -0.526 . . . . 74.2 111.119 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.18 -48.52 78.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.143 0.497 . . . . 55.14 109.917 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.93 -44.1 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.116 -0.947 . . . . 61.34 111.111 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.34 -41.6 96.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.765 0.317 . . . . 51.21 110.916 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.34 -36.53 79.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.833 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.545 HG22 ' HE3' ' A' ' 39' ' ' LYS . 78.0 mt -66.68 -36.57 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.484 . . . . 61.14 109.769 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -65.75 -43.73 88.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.758 -0.655 . . . . 63.51 111.309 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.539 HD11 HD22 ' A' ' 81' ' ' LEU . 64.5 mt -66.37 -34.09 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.854 0.359 . . . . 75.03 110.317 175.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.42 83.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 62.24 110.616 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HE3' HG22 ' A' ' 35' ' ' ILE . 92.1 mttt -65.37 -45.0 85.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.298 -0.41 . . . . 75.53 110.881 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 m -63.12 -31.36 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 35.34 111.177 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' LEU . 91.4 t -85.68 -39.27 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.378 -0.374 . . . . 43.41 111.195 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.541 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.3 t -145.96 116.3 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.847 0.356 . . . . 33.42 110.488 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.76 87.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.25 -0.432 . . . . 64.11 111.046 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.83 55.65 0.5 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.975 -0.631 . . . . 62.43 111.749 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.3 p -72.4 128.7 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 63.1 111.506 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -93.27 122.98 36.23 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.086 -0.506 . . . . 70.24 109.641 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 39.1 p90 -144.8 150.66 37.55 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.683 -0.69 . . . . 75.31 112.111 -176.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.51 167.62 13.14 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.134 -1.062 . . . . 73.23 108.134 172.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -157.77 148.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.806 0.336 . . . . 74.12 110.533 -176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.47 156.48 39.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.077 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 1.1 pm0 -95.84 129.15 43.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.366 0.603 . . . . 62.22 109.403 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' HE3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -116.65 162.65 17.32 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.619 -0.719 . . . . 63.14 112.284 -172.265 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.0 p -114.35 -166.54 1.11 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.017 -0.992 . . . . 50.03 108.751 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 2.6 mp0 -79.62 -12.75 59.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.861 0.362 . . . . 65.21 110.807 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.96 -5.51 24.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 72.1 112.134 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.7 m -69.27 122.4 18.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.141 0.496 . . . . 63.05 110.85 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 87.8 mttt -95.39 -9.8 31.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.87 -0.604 . . . . 72.23 110.739 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.4 pt-20 -143.57 150.86 39.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.847 0.356 . . . . 72.35 111.239 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD22 HD23 ' A' ' 27' ' ' LEU . 2.7 pt? -149.74 148.55 29.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.976 -0.75 . . . . 62.01 108.976 170.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.57 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 57.4 m -110.64 118.84 37.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.365 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.52 122.91 48.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.898 -0.592 . . . . 52.55 109.942 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 36.4 ttm180 -104.54 115.9 31.15 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.947 -0.569 . . . . 71.1 110.351 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.74 135.7 53.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 74.25 111.846 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -123.79 120.06 31.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.822 -0.807 . . . . 75.53 108.822 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.13 -169.87 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 74.41 111.5 -171.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 24.3 mm-40 -47.85 -55.04 10.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.587 -0.733 . . . . 74.43 110.512 178.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' HG2' ' A' ' 70' ' ' GLU . 21.8 m -144.42 175.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.249 -0.887 . . . . 63.4 109.11 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -67.79 -23.38 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 44.53 111.756 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.91 85.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.073 -0.512 . . . . 74.45 110.979 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HG3' ' HB2' ' A' ' 66' ' ' GLU . 7.9 mm-40 -64.13 -32.62 74.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 52.04 110.218 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 22.7 ttmt -53.42 -58.53 6.8 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.574 0.702 . . . . 54.42 109.842 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 91.0 mt -50.78 -47.76 59.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.096 -1.411 . . . . 63.33 111.316 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.53 HG22 ' HE2' ' A' ' 77' ' ' LYS . 63.4 mt -60.96 -43.78 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 53.12 111.158 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -62.3 -47.95 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 64.42 110.215 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 5.8 mm-40 -55.18 -47.21 75.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 63.1 110.487 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 56.7 mt -58.18 -45.7 87.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.041 -0.527 . . . . 74.11 111.647 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HE2' HG22 ' A' ' 73' ' ' ILE . 55.8 mtmt -73.57 -32.33 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.518 -0.31 . . . . 54.11 111.335 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.3 m -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.751 0.31 . . . . 61.32 110.599 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 79' ' ' ARG . 11.8 mmt180 -57.9 -44.9 87.04 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.732 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 m -67.23 -37.6 83.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.988 -0.551 . . . . 64.31 111.502 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.539 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp . . . . . 0 N--CA 1.442 -0.839 0 CA-C-N 116.299 -0.41 . . . . 60.4 110.427 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.592 ' HZ ' ' HG ' ' A' ' 50' ' ' SER . 61.1 m-85 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.719 -0.474 . . . . 73.42 109.719 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.3 -54.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.932 0.396 . . . . 61.41 110.539 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 64' ' ' LYS . 77.3 mt -82.43 133.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.071 -0.513 . . . . 70.21 110.475 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -95.99 -175.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.76 . . . . 65.23 110.961 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -71.13 165.45 23.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.214 -0.448 . . . . 75.01 111.271 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.44 -164.77 34.15 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.335 -0.706 . . . . 61.21 111.335 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.54 -25.94 14.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.789 0.804 . . . . 71.05 109.26 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 1.2 pm0 -98.86 -0.33 42.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.49 -1.232 . . . . 71.21 110.092 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 13' ' ' GLU . 37.0 t -125.41 133.54 69.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 61.14 110.589 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -141.47 151.88 43.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.366 -0.379 . . . . 72.13 110.269 178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 5.9 p-10 -104.98 133.61 49.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.425 0.631 . . . . 75.33 110.238 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 t -120.46 128.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.327 -0.851 . . . . 62.13 109.704 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 57.5 m -111.15 117.53 33.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.193 -0.912 . . . . 61.04 109.258 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 55.5 mt -97.43 144.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.168 -0.469 . . . . 74.22 109.783 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.34 138.41 54.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.035 -0.529 . . . . 71.24 110.367 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.92 160.19 16.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.23 -0.895 . . . . 70.04 108.904 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.28 -36.45 27.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.962 0.356 . . . . 60.31 111.962 -174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -110.65 144.88 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.699 -0.228 . . . . 64.2 111.07 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 62.4 tttm -55.97 -43.11 77.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.956 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.26 -46.3 69.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.492 -0.776 . . . . 75.33 110.945 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.69 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.48 -0.327 . . . . 64.31 110.744 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.9 mp -54.23 -53.87 47.69 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.338 0.59 . . . . 73.11 110.137 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.04 -31.06 70.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.189 -0.914 . . . . 72.14 112.141 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -74.71 -46.82 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.507 0.194 . . . . 64.11 111.191 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -68.87 -34.65 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.042 0.449 . . . . 35.13 109.842 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.33 -50.27 59.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.406 -0.816 . . . . 73.5 110.347 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.56 71.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.004 -0.998 . . . . 42.41 111.303 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.63 -35.43 80.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 75.54 111.021 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.23 -39.22 78.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.33 -0.395 . . . . 75.11 110.564 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.6 mt -65.09 -40.56 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.915 -0.402 . . . . 72.21 109.915 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -59.98 -45.38 92.89 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.861 -0.609 . . . . 52.43 110.981 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -33.61 76.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 51.11 109.955 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.07 76.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.152 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.96 -30.81 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 74.43 110.762 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -65.88 -30.44 71.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.663 -0.698 . . . . 43.42 110.703 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.3 t -93.99 -45.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 61.15 111.029 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.6 t -134.28 125.54 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.168 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.15 -7.5 59.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.973 -0.558 . . . . 55.32 110.92 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.32 34.85 4.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.693 -0.765 . . . . 41.23 112.12 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.74 124.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 61.32 111.312 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -110.11 151.31 27.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.522 -0.763 . . . . 71.55 109.268 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 51.5 p90 -143.79 150.92 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.119 0.785 . . . . 70.54 113.119 -176.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 12.8 m120 -115.08 168.79 9.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.365 -1.289 . . . . 72.04 107.702 169.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.3 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.693 -0.403 . . . . 62.41 110.757 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.592 ' HG ' ' HZ ' ' A' ' 6' ' ' PHE . 1.5 m -68.91 168.19 14.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 65.22 109.679 174.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.48 133.36 34.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.967 0.413 . . . . 65.24 109.91 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.34 157.24 19.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 73.24 110.776 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.7 p -133.2 -171.95 2.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.758 -0.656 . . . . 64.41 109.655 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.14 -28.16 29.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 71.13 109.804 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -97.49 -4.22 38.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.955 -1.02 . . . . 74.11 111.988 -175.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 p -76.12 115.84 16.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.98 0.419 . . . . 61.15 111.332 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -97.44 9.92 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 53.44 109.558 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.1 pt-20 -150.12 154.06 37.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 73.12 110.356 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 HD23 ' A' ' 27' ' ' LEU . 2.6 pt? -150.61 141.87 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.639 -0.504 . . . . 61.34 109.639 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.1 m -104.27 120.62 41.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.475 . . . . 73.14 110.549 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.17 55.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.91 -0.586 . . . . 72.04 110.464 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 23.9 tpp180 -93.09 114.92 27.58 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.353 -0.61 . . . . 72.42 109.353 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -109.43 126.01 53.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.795 0.331 . . . . 72.3 111.265 -177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 8' ' ' ILE . 9.4 ptmt -112.33 131.01 55.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.256 -0.646 . . . . 73.55 109.256 171.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.48 169.48 8.83 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.195 -0.668 . . . . 64.51 109.195 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -49.6 67.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.68 -0.489 . . . . 74.33 109.68 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.14 163.42 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.031 -0.531 . . . . 71.33 110.442 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 19.5 m -68.5 -26.03 65.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.085 0.469 . . . . 73.12 111.189 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.06 79.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 74.34 111.01 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 71.2 110.605 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 11.9 ttpt -66.06 -50.24 64.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.161 -0.681 . . . . 72.02 109.161 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' SER . 87.4 mt -52.0 -49.96 62.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.513 -1.221 . . . . 72.42 111.747 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.24 -47.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 63.12 110.937 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.1 -51.01 70.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 73.55 110.454 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 9.9 mm-40 -60.27 -30.3 69.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 71.14 111.675 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.96 -39.97 65.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.977 0.417 . . . . 73.21 110.964 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -79.39 -29.16 41.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.132 -0.486 . . . . 75.41 111.7 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 p -69.54 -35.47 75.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.934 -0.307 . . . . 73.11 110.961 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.0 mmp_? -57.43 -44.4 84.66 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.17 0.51 . . . . 72.42 110.647 175.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -77.17 -19.96 56.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.666 -0.697 . . . . 50.45 111.403 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.445 -0.722 0 CA-C-N 116.252 -0.431 . . . . 65.21 110.281 179.61 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.76 0.314 . . . . 71.43 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.41 -49.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 65.24 109.889 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.32 130.54 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.762 -0.654 . . . . 73.13 110.079 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -76.31 174.69 9.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.784 -0.644 . . . . 73.22 111.161 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.15 163.16 26.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.791 -0.64 . . . . 72.42 110.714 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.17 172.46 45.16 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.264 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.57 -23.24 42.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 72.33 110.686 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.27 4.12 33.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 74.31 110.484 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.87 139.28 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.865 -0.607 . . . . 64.14 110.563 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.16 114.57 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.863 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.575 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 p30 -101.02 129.29 46.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 53.23 110.63 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.26 142.08 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 64.01 110.435 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 m -105.33 110.18 22.44 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.733 -0.667 . . . . 75.45 110.198 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.436 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 53.6 mt -99.73 143.37 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 62.05 109.391 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -141.35 143.57 34.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 64.35 111.602 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -169.87 163.26 9.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.205 -0.907 . . . . 53.04 109.463 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.29 -28.25 53.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.283 0.475 . . . . 75.51 112.283 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -115.49 147.68 40.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.623 0.249 . . . . 73.34 111.38 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -62.87 -36.05 82.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.32 0.581 . . . . 45.34 110.093 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.06 -43.8 82.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.958 . . . . 74.44 110.923 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.39 91.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 72.2 110.38 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.5 mp -55.33 -53.56 54.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.381 -0.372 . . . . 71.41 110.431 175.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.757 -0.656 . . . . 64.22 111.823 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -65.15 -50.42 66.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.876 0.369 . . . . 74.54 110.917 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.97 -37.02 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 71.33 110.311 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.74 -50.92 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.567 -0.742 . . . . 64.33 110.329 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.54 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 71.33 111.406 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.97 -41.4 91.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.939 0.4 . . . . 74.14 110.794 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -41.89 98.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.699 . . . . 62.12 110.547 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.75 -41.19 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 75.43 110.773 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.76 -37.54 87.94 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.276 -0.42 . . . . 70.04 110.801 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -38.72 91.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 61.21 109.759 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.07 38.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 42.13 111.458 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 68.2 mttm -68.58 -21.32 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 65.12 111.807 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -70.72 -21.05 62.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 72.15 110.505 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.54 -52.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.606 -0.516 . . . . 72.22 109.606 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 37.0 t -122.18 100.95 7.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.665 -0.698 . . . . 74.31 109.185 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.02 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 73.42 111.46 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.77 39.66 3.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.956 -0.64 . . . . 72.54 112.763 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.59 127.52 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.083 0.468 . . . . 71.4 110.245 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.78 144.96 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.442 -0.577 . . . . 61.11 109.442 176.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.7 p90 -139.2 154.55 48.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.766 0.793 . . . . 74.35 112.017 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.51 166.62 15.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.216 -1.357 . . . . 53.13 108.342 168.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.94 142.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 116.056 -0.52 . . . . 74.14 110.177 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -69.66 163.57 25.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.067 -0.515 . . . . 65.42 110.074 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -92.97 132.59 36.94 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.67 -0.493 . . . . 75.3 109.67 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -88.18 120.56 29.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.707 -0.679 . . . . 62.15 111.042 -171.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -92.51 -164.54 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 62.13 111.344 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.06 -56.12 26.3 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.141 -0.481 . . . . 65.13 110.715 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -103.05 45.92 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 70.53 111.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -71.6 96.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.281 0.562 . . . . 63.23 109.82 172.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -106.84 16.76 23.99 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.307 -0.861 . . . . 70.14 108.927 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.3 pt-20 -167.02 154.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.525 -1.216 . . . . 71.34 109.755 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.06 150.55 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.727 -0.471 . . . . 65.21 109.727 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.7 m -108.87 118.03 35.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.029 0.442 . . . . 71.24 110.566 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.77 118.07 35.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 74.4 110.15 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 29.8 ttm180 -100.82 118.02 36.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.4 -0.364 . . . . 74.34 110.967 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.27 126.7 52.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.325 -0.398 . . . . 51.15 110.66 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -106.17 117.19 33.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.563 -0.532 . . . . 70.42 109.563 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.59 175.78 6.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.207 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.72 -43.98 24.55 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.485 -0.561 . . . . 65.42 109.485 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.98 155.5 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.688 -0.687 . . . . 75.32 109.98 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 15.9 m -65.57 -17.95 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 70.14 111.593 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.84 -38.33 86.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.07 -0.514 . . . . 65.44 110.379 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -66.38 -34.09 77.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 74.53 110.238 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 56.9 tttp -55.82 -59.94 4.17 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.633 -0.712 . . . . 70.24 109.686 174.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.8 mt -54.78 -47.89 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.485 -1.234 . . . . 74.11 111.558 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -57.81 -47.56 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.864 0.364 . . . . 63.32 111.058 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.033 0.444 . . . . 54.15 110.811 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 75.9 mt-10 -68.75 -28.73 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 74.3 110.883 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 49.2 mt -69.36 -43.26 73.98 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.866 0.365 . . . . 72.21 110.89 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.24 -41.18 77.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.162 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -68.63 -20.5 64.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 74.22 111.54 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 76' ' ' LEU . 9.9 mmm180 -59.05 -43.77 91.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.978 0.418 . . . . 54.32 110.807 174.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -77.63 -41.64 37.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.831 -0.622 . . . . 74.25 112.043 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 121.119 0.485 . . . . 74.12 110.43 -177.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 110.263 -0.273 . . . . 74.31 110.263 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.38 -50.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 71.34 110.417 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 64' ' ' LYS . 73.9 mt -80.14 120.42 31.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.719 0.771 . . . . 74.22 110.513 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' O ' HG11 ' A' ' 14' ' ' VAL . 89.5 mttt -94.06 -178.11 4.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.831 -1.077 . . . . 63.44 110.007 -178.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.55 164.36 26.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.029 0.442 . . . . 73.5 111.844 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.7 162.96 30.45 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.038 -0.825 . . . . 62.44 111.038 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 71.34 110.426 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.82 9.86 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.994 -0.548 . . . . 63.24 110.521 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 9' ' ' LYS . 43.5 t -109.88 124.67 66.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.499 -0.319 . . . . 73.03 110.638 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -129.66 126.39 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.908 0.385 . . . . 72.24 111.074 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.674 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.6 p30 -101.84 145.0 29.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.39 176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.12 132.54 71.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.656 -0.702 . . . . 55.43 109.716 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 m -105.83 109.62 21.64 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.821 . . . . 54.14 108.797 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 33.0 mt -98.84 142.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.02 -0.537 . . . . 74.3 110.419 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -121.97 140.66 52.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.889 -0.596 . . . . 71.42 110.081 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.05 167.96 24.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.113 -0.494 . . . . 64.33 109.922 173.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.04 -40.53 62.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.615 0.245 . . . . 73.35 110.923 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.6 p -131.39 170.63 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.326 -0.397 . . . . 51.33 110.721 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.08 -43.01 99.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.53 -0.304 . . . . 72.22 110.937 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.28 -48.39 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.268 -0.424 . . . . 71.44 111.254 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.74 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.559 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.9 tp -59.39 -49.99 75.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.824 -0.625 . . . . 74.12 110.169 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.0 -37.17 81.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 74.35 111.457 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.5 m -69.04 -44.86 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.035 0.445 . . . . 32.14 110.902 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.58 -46.84 86.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 62.32 110.577 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.79 -51.24 61.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.588 -0.733 . . . . 75.21 111.175 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 -31.41 63.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.271 -0.877 . . . . 35.11 111.7 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -74.82 -40.12 61.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.532 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.5 -33.1 70.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.375 -0.375 . . . . 70.03 110.899 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.527 HG22 ' HE2' ' A' ' 39' ' ' LYS . 70.4 mt -67.67 -35.86 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 71.23 110.047 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.18 -46.61 88.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.362 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.25 -37.97 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.803 -0.635 . . . . 61.15 110.175 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.16 -47.26 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 71.4 111.304 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 35' ' ' ILE . 58.3 mtmt -69.28 -22.72 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 61.14 111.249 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -70.53 -23.39 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.334 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.82 -44.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.191 0.519 . . . . 52.12 110.475 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.661 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 5.0 p -138.98 126.03 21.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.008 -0.542 . . . . 61.03 110.646 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -24.69 25.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 65.31 110.299 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.39 49.79 1.03 Allowed Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.871 -0.604 . . . . 61.13 111.66 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.661 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 11.6 p -99.68 133.83 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.772 0.32 . . . . 73.42 110.521 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . 11.8 mp0 -97.64 135.88 38.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 63.21 109.366 172.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 33.6 p90 -142.33 150.92 41.4 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.117 0.484 . . . . 73.32 111.259 178.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.81 160.78 20.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.926 -0.768 . . . . 63.21 108.926 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.04 139.34 37.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.558 -0.746 . . . . 71.21 109.198 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.5 161.61 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.958 -0.386 . . . . 71.13 109.958 177.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.18 128.08 34.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 74.21 109.218 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.79 122.13 26.24 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.86 -0.422 . . . . 73.22 109.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 p -84.55 -167.02 1.63 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.783 -0.644 . . . . 64.2 110.071 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -81.5 -39.05 25.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.47 0.652 . . . . 73.3 109.261 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.507 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 66.5 mm-40 -107.09 33.99 3.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.944 -1.025 . . . . 74.41 111.318 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -70.31 102.15 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.049 0.452 . . . . 73.13 111.245 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 55' ' ' GLU . 3.9 mppt? -98.38 4.26 48.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.2 -0.667 . . . . 73.02 109.2 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -156.15 157.89 36.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.34 -0.846 . . . . 63.13 110.19 179.371 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.1 pt? -157.05 157.11 34.0 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.341 -0.614 . . . . 70.2 109.341 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -113.27 115.36 28.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.905 0.383 . . . . 74.51 110.705 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.82 117.19 30.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.014 -0.539 . . . . 71.41 109.769 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.674 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 34.6 ttm180 -108.74 123.03 48.37 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.782 -0.367 . . . . 72.15 111.37 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -107.57 125.22 51.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.51 -0.768 . . . . 71.24 109.68 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -104.73 123.61 47.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.51 0.672 . . . . 74.0 109.824 174.286 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.458 ' HD1' ' HG ' ' A' ' 42' ' ' CYS . 87.1 m-85 -92.34 178.74 5.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.344 -0.844 . . . . 75.55 109.452 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.86 -40.29 11.84 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.755 0.312 . . . . 71.24 110.695 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 29.2 m -125.87 152.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.292 -0.413 . . . . 63.11 110.441 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -61.84 -23.74 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 73.02 111.826 -176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.96 73.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 71.34 111.148 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 52.0 mt-10 -68.42 -32.76 73.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.031 -0.531 . . . . 72.34 110.874 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.556 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 36.3 ttmt -61.05 -57.07 14.14 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.263 0.554 . . . . 71.31 109.931 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -50.13 -44.13 52.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.391 -1.277 . . . . 70.51 111.581 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.52 -52.69 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.524 -0.307 . . . . 73.13 110.856 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.32 -49.81 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.621 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.9 -37.81 74.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 62.34 111.267 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.79 -39.41 76.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.801 0.334 . . . . 74.22 111.185 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.09 -39.75 71.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 70.25 111.092 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.4 p -65.14 -40.83 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 41.44 110.821 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -59.99 -44.59 94.41 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.488 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 m -73.59 -22.47 60.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.118 -0.492 . . . . 74.23 111.433 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 N--CA 1.446 -0.632 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.445 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.057 -0.349 . . . . 75.01 110.057 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.97 -41.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.399 0.619 . . . . 55.14 109.639 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.618 HD13 ' HG2' ' A' ' 64' ' ' LYS . 95.1 mt -92.21 126.85 44.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.321 -0.854 . . . . 62.23 110.693 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' HG11 ' A' ' 14' ' ' VAL . 20.5 pttm -93.37 166.15 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.738 -0.665 . . . . 73.41 110.929 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.37 165.85 7.15 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.868 0.73 . . . . 75.13 111.819 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.22 -160.04 27.61 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.532 -0.627 . . . . 73.34 111.532 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.34 -27.72 19.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.418 0.628 . . . . 73.34 109.942 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.48 3.08 45.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.164 -0.926 . . . . 72.03 109.914 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 9' ' ' LYS . 57.4 t -107.98 142.35 20.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.55 -0.75 . . . . 73.33 110.999 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -161.46 116.55 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 75.22 109.883 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.735 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.2 p30 -90.54 143.48 26.7 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.231 0.538 . . . . 75.14 110.063 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -113.98 125.14 71.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 115.192 -0.913 . . . . 74.03 109.513 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 m -98.53 111.36 23.75 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.844 -1.071 . . . . 72.33 108.816 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 15.8 mt -98.17 136.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.607 -0.516 . . . . 73.13 109.607 -176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 7.2 p90 -135.89 135.92 40.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.789 -0.641 . . . . 72.44 110.749 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -163.02 -179.45 6.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 60.44 109.981 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -94.87 -15.88 23.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.607 0.595 . . . . 74.35 112.607 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -133.94 156.21 48.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.103 0.477 . . . . 62.42 111.695 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 25.0 ttpp -65.2 -41.76 94.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 71.2 110.128 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.95 -35.97 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 73.23 110.898 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.22 -46.31 70.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.41 -0.359 . . . . 74.31 110.424 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.3 mp -54.24 -50.41 67.24 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.394 0.434 . . . . 64.03 110.692 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.07 -45.58 83.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.048 -0.524 . . . . 64.34 111.233 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 48.8 m -66.89 -46.7 74.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 30.05 111.293 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 29.5 mm-40 -64.6 -43.56 93.41 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.614 -0.266 . . . . 71.33 111.202 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.33 -49.32 72.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 73.43 110.175 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.02 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.053 -0.976 . . . . 23.4 111.231 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 29' ' ' SER . 75.8 mmtt -65.15 -37.43 87.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.712 -0.222 . . . . 74.03 111.441 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -69.29 -39.61 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.625 -0.261 . . . . 74.44 110.645 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.06 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 73.43 109.839 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.56 -45.52 88.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.794 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.96 -32.26 73.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 75.32 110.8 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.33 -49.09 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 62.31 110.756 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.49 -29.24 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.13 111.016 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -67.5 -27.08 66.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.561 . . . . 55.13 110.101 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.66 -49.75 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.948 -0.569 . . . . 52.04 111.19 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 t -139.43 133.07 30.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.06 0.457 . . . . 75.33 110.63 -171.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.11 -22.83 22.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.83 -0.623 . . . . 63.11 110.861 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.25 28.07 10.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.933 -0.651 . . . . 70.41 112.024 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -79.42 125.12 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.563 0.697 . . . . 71.23 111.008 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -108.75 145.06 35.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.386 -0.824 . . . . 41.32 109.142 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 49.4 p90 -144.49 152.13 40.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.749 0.785 . . . . 73.45 112.807 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.3 167.27 12.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.31 -1.313 . . . . 63.25 107.513 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.59 149.15 3.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 120.559 -0.457 . . . . 74.54 111.137 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -77.91 170.01 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 54.31 110.137 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 135.49 35.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.36 -0.608 . . . . 72.04 109.36 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.431 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -107.45 114.53 28.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.262 0.553 . . . . 60.33 111.227 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.0 p -122.27 176.8 5.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.679 . . . . 71.51 109.407 174.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.33 -19.31 58.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.33 . . . . 74.42 111.582 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.39 -12.84 48.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 62.12 110.277 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.1 m -87.9 101.17 13.47 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.287 -0.635 . . . . 72.24 109.287 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 14.4 mmmm -76.67 -9.22 58.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 71.53 110.163 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 8.8 pt-20 -146.45 146.72 30.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.703 -0.68 . . . . 71.02 110.864 -177.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.523 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -133.45 140.55 47.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.23 -0.656 . . . . 74.45 109.23 170.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 m -103.56 112.82 25.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.091 -0.504 . . . . 71.54 110.725 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.44 111.68 24.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.252 -0.431 . . . . 73.34 109.935 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 21.1 tpp85 -90.5 113.85 25.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 75.32 109.88 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -106.94 140.48 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 53.13 110.788 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -125.38 141.25 52.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.306 -0.628 . . . . 60.14 109.306 168.643 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 96.8 m-85 -110.77 -178.75 3.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.364 -0.606 . . . . 65.34 109.364 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.15 -49.35 19.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.102 0.477 . . . . 73.25 110.668 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.07 170.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.999 -0.546 . . . . 72.01 110.674 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 m -66.07 -28.17 68.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.041 0.448 . . . . 74.55 111.444 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.95 97.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 72.25 111.06 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 3.2 mm-40 -59.1 -42.33 90.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.455 0.645 . . . . 75.42 109.593 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.9 tmmm? -61.65 -52.27 65.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 74.42 110.032 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.14 -47.31 78.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.246 -0.888 . . . . 73.3 111.715 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 76' ' ' LEU . 71.9 mt -63.42 -34.52 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.968 0.414 . . . . 75.15 111.308 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.98 -48.01 64.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.195 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.638 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 55.2 mm-40 -66.94 -30.65 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.511 . . . . 54.15 111.765 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 73' ' ' ILE . 37.8 mt -59.83 -37.66 79.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.214 0.531 . . . . 65.31 110.288 174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -72.65 -46.49 53.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.293 -0.867 . . . . 74.25 110.971 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.638 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 11.5 p -66.3 -36.81 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.592 0.59 . . . . 52.02 112.592 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.2 mtm180 -54.66 -50.63 67.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 111.993 0.368 . . . . 74.15 111.993 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -87.29 -12.83 45.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 73.15 110.737 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 121.085 0.469 . . . . 73.5 109.836 177.547 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.059 -0.348 . . . . 73.22 110.059 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.04 -40.63 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.518 . . . . 63.11 109.82 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 64' ' ' LYS . 83.2 mt -98.83 124.13 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.569 -0.742 . . . . 70.22 110.429 176.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' HG11 ' A' ' 14' ' ' VAL . 46.9 mtmt -100.67 -176.51 3.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.737 . . . . 70.02 109.711 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.601 ' HG2' HH12 ' A' ' 62' ' ' ARG . 3.3 mm-40 -70.79 168.63 16.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.879 0.847 . . . . 64.23 112.656 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.33 -164.69 32.98 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.613 -1.176 . . . . 61.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' HE2' ' A' ' 71' ' ' LYS . 6.5 t70 -91.19 -19.78 22.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.213 0.53 . . . . 72.2 110.205 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.63 5.52 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.597 -0.729 . . . . 63.15 111.002 178.379 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 64' ' ' LYS . 47.0 t -106.21 141.29 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.611 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . -131.5 152.86 50.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.027 -0.361 . . . . 44.31 110.027 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.59 138.27 54.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.076 0.465 . . . . 64.32 110.541 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.01 135.28 55.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.534 -0.757 . . . . 52.21 109.943 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 m -133.79 116.47 15.74 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.836 -0.62 . . . . 74.21 109.983 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 59' ' ' LEU . 14.2 mt -100.33 139.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 74.1 109.812 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 37.5 m-85 -119.66 132.5 55.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 73.32 109.906 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -167.34 159.23 12.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.502 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.38 -51.57 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.308 0.484 . . . . 70.12 112.308 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -102.78 143.46 32.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.408 0.522 . . . . 62.41 112.408 -170.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 52' ' ' LEU . 55.4 tttm -54.26 -36.7 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.944 -1.026 . . . . 62.31 110.718 176.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.43 -46.89 83.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.508 -0.769 . . . . 70.11 111.091 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 64.34 110.684 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.818 ' HG ' HD22 ' A' ' 59' ' ' LEU . 10.2 mp -58.07 -54.66 44.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.296 174.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.74 -40.08 93.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 71.5 112.145 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.7 m -67.13 -46.46 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.716 0.294 . . . . 72.12 111.628 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.1 tp10 -70.89 -36.8 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 72.34 110.104 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' ALA . 24.5 tp -58.14 -46.93 84.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.902 -0.59 . . . . 54.42 110.505 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.229 -0.896 . . . . 71.41 111.467 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.49 -34.3 75.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.411 -0.359 . . . . 70.11 111.111 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 52.3 m-85 -75.41 -37.94 60.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 71.31 110.64 177.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.44 -38.79 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.63 -0.507 . . . . 61.23 109.63 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -63.16 -44.96 94.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.483 -0.78 . . . . 73.23 110.791 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.36 -41.42 89.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 51.12 109.797 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.4 -51.91 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.695 -0.684 . . . . 70.32 111.099 -174.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 49.3 mtmt -64.28 -30.81 71.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 72.13 111.151 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -66.6 -34.97 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.884 0.374 . . . . 64.4 110.328 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.15 -48.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 75.05 110.796 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.564 ' SG ' ' HG3' ' A' ' 66' ' ' GLU . 45.4 t -136.52 125.96 25.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.286 -0.416 . . . . 60.21 110.316 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.75 -20.16 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.007 0.432 . . . . 74.12 110.692 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.33 26.97 19.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.838 -0.696 . . . . 43.1 111.836 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 126.65 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.431 0.634 . . . . 71.21 110.939 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.18 116.9 33.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.762 -0.829 . . . . 71.44 108.762 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.3 p90 -131.16 149.98 52.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.653 0.739 . . . . 74.43 112.726 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.14 162.26 18.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.68 -1.145 . . . . 74.43 108.42 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.53 137.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -71.2 177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 65.33 111.065 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -82.62 129.19 34.9 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.024 -0.535 . . . . 54.11 111.423 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 85.3 mt -93.45 114.28 26.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.467 -0.788 . . . . 73.03 109.669 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.9 p -131.71 -177.6 4.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.353 -0.385 . . . . 60.13 110.479 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.26 -20.0 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.409 0.623 . . . . 63.41 109.897 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.18 -24.9 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.458 -0.792 . . . . 74.15 111.401 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.6 p -79.37 117.11 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.057 0.456 . . . . 74.21 111.934 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 4.8 mptp? -108.59 3.29 22.78 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.196 -1.039 . . . . 50.54 108.196 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.638 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 10.9 mt-10 -133.97 134.34 42.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.121 -1.4 . . . . 74.34 108.56 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.818 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -133.74 144.78 49.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.313 -0.555 . . . . 64.1 110.13 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.1 m -114.84 127.72 55.88 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.712 -0.676 . . . . 71.44 110.808 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -112.76 113.23 25.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.618 -0.719 . . . . 73.31 109.417 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' ' 10' ' ' GLU . 2.6 tpp180 -93.07 114.68 27.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.719 -0.673 . . . . 74.22 109.425 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -111.62 121.08 44.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.816 0.341 . . . . 75.33 111.211 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.63 ' HB2' HG21 ' A' ' 8' ' ' ILE . 49.9 tttm -113.9 123.74 50.49 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.712 -0.477 . . . . 72.43 109.712 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -95.27 -172.13 2.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.325 -0.398 . . . . 74.35 110.426 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.564 ' HG3' ' SG ' ' A' ' 42' ' ' CYS . 38.3 mt-10 -90.66 -42.51 10.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.981 0.42 . . . . 70.32 110.437 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.7 m -124.53 156.87 32.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 70.42 110.165 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 4.4 p -62.32 -28.99 70.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.355 0.502 . . . . 52.44 112.355 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.52 -33.89 73.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.797 -0.638 . . . . 71.22 111.335 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 54.7 mt-10 -67.84 -28.93 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 55.52 111.271 -176.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 1.6 tmmm? -62.0 -54.06 46.9 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.535 0.683 . . . . 75.41 109.374 175.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -55.58 -45.89 77.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.295 -1.32 . . . . 73.43 111.39 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -59.84 -43.36 91.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.943 0.401 . . . . 74.05 111.204 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -66.46 -50.06 64.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.459 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 21.3 mm-40 -58.98 -40.93 86.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 64.43 111.394 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.72 -47.38 82.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 73.03 111.113 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.53 -36.77 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.975 -0.557 . . . . 63.32 110.914 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 m -63.68 -32.59 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.046 -0.525 . . . . 65.23 111.243 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 13.4 mmp_? -58.12 -43.75 87.39 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.782 0.325 . . . . 73.3 110.929 176.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m -83.51 -38.31 21.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.944 -0.571 . . . . 72.4 111.799 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 74.43 110.886 -177.528 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.107 -0.331 . . . . 74.43 110.107 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.99 -49.83 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 71.34 110.612 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 46' ' ' GLU . 75.0 mt -94.13 139.18 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 62.11 111.019 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.94 -167.94 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.605 -0.725 . . . . 52.22 110.466 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.92 177.92 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.199 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.93 177.67 35.18 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 120.815 -0.707 . . . . 54.15 111.827 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -77.22 -22.39 52.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.464 0.649 . . . . 55.41 110.032 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 mt-10 -103.13 13.66 33.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 72.3 110.16 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -118.24 138.86 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.616 -0.72 . . . . 71.21 109.547 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -123.07 127.8 49.25 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.376 -0.231 . . . . 72.13 110.376 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.46 121.66 30.18 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.973 -0.751 . . . . 61.3 108.973 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.14 139.35 52.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 115.593 -0.73 . . . . 60.32 109.75 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -134.61 119.08 17.93 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.564 -0.743 . . . . 65.42 109.09 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 59' ' ' LEU . 23.1 mt -97.75 140.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.862 -0.422 . . . . 65.32 109.862 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -117.96 137.61 52.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 75.51 110.116 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.727 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.11 161.14 19.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.146 -0.934 . . . . 74.42 109.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.06 -42.14 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.782 -0.367 . . . . 61.12 111.284 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -110.06 149.21 30.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 64.33 111.241 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -58.78 -35.72 73.25 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.006 0.432 . . . . 63.2 110.456 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.07 -45.04 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 74.2 110.369 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.86 84.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 72.3 110.708 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' ALA . 7.0 mp -58.81 -51.52 69.64 Favored 'General case' 0 C--N 1.335 -0.046 0 CA-C-O 121.058 0.456 . . . . 74.23 109.974 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.36 -45.97 90.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.491 -0.777 . . . . 74.0 111.81 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -60.76 -48.5 81.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.487 -0.324 . . . . 51.1 111.208 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 18.2 tt0 -69.86 -41.2 75.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.539 -0.3 . . . . 73.42 110.229 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.41 -48.78 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 63.22 110.255 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.75 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.164 -0.925 . . . . 63.21 111.378 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 32.3 mmtp -72.07 -33.86 68.25 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.651 -0.25 . . . . 75.33 111.449 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.3 m-85 -68.08 -42.13 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.794 -0.447 . . . . 75.33 109.794 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.2 -40.94 90.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.213 -0.449 . . . . 75.14 110.098 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -57.55 -50.66 72.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.606 -0.725 . . . . 71.41 110.113 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 77' ' ' LYS . 1.2 tt -60.26 -37.86 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.487 -0.779 . . . . 72.31 110.127 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.86 63.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 71.34 110.985 -175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 64.3 mttm -69.02 -22.2 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 64.44 111.317 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 m -69.62 -29.54 67.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.834 0.35 . . . . 52.32 110.46 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.9 t -87.73 -51.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.061 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 42.5 t -139.13 124.6 19.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.897 -0.592 . . . . 72.2 110.417 -177.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.48 45.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.09 -0.505 . . . . 61.23 110.865 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 29.17 11.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.264 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.09 128.47 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.198 0.523 . . . . 74.5 110.738 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 8' ' ' ILE . 39.6 mt-10 -99.0 125.71 44.53 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.254 -0.647 . . . . 73.55 109.254 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.2 p90 -136.43 154.89 50.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.602 0.715 . . . . 71.21 111.598 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 14.0 m120 -122.57 167.65 13.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.534 -1.212 . . . . 74.21 108.086 172.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 60' ' ' THR . 13.6 p -156.15 146.14 12.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.112 -0.235 . . . . 72.12 110.414 -178.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.7 p -75.84 -166.62 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 65.52 110.696 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -92.47 132.33 36.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.116 0.484 . . . . 63.1 110.741 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.76 118.4 28.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.717 -0.845 . . . . 74.23 108.717 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 p -130.05 -170.05 2.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.57 . . . . 74.24 111.616 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.51 -32.55 66.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.392 -0.822 . . . . 73.23 111.342 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -102.9 -0.86 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.684 -0.689 . . . . 75.23 112.371 -173.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -74.84 103.89 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.249 0.547 . . . . 71.45 111.457 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -90.86 -8.17 50.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.488 -0.93 . . . . 73.54 108.488 170.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -143.29 138.64 29.7 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.607 -1.178 . . . . 64.43 110.329 -177.672 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -130.25 140.03 50.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.147 -0.479 . . . . 70.01 109.986 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 24.4 m -99.96 124.73 45.62 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.667 -0.697 . . . . 74.21 110.506 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -139.23 113.25 8.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.658 -0.497 . . . . 71.11 109.658 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.9 ptp180 -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.523 -0.471 . . . . 75.45 110.387 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -107.82 116.44 31.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.731 -0.668 . . . . 74.21 110.698 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -107.25 131.8 53.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.718 -0.674 . . . . 75.31 109.515 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 91.0 m-85 -107.38 174.28 5.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.695 0.283 . . . . 64.13 110.871 -176.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.34 -39.79 24.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.298 -0.41 . . . . 75.23 110.801 -174.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -122.61 156.47 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 35.2 110.393 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.3 m -64.47 -25.87 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.986 -0.552 . . . . 70.01 111.744 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.8 88.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 54.05 111.125 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 55.0 mt-10 -63.91 -31.27 72.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.065 0.459 . . . . 42.32 110.551 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -66.33 -46.73 75.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 71.33 110.553 178.065 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.53 -37.7 84.71 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.118 -0.492 . . . . 75.51 110.819 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HD3' ' A' ' 77' ' ' LYS . 83.2 mt -64.83 -47.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.836 -0.62 . . . . 71.3 110.732 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.76 -42.03 99.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.532 -0.304 . . . . 61.35 110.519 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 56.8 mm-40 -53.2 -53.34 52.06 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.347 0.594 . . . . 60.13 110.109 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.91 -41.07 95.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.531 -0.759 . . . . 50.15 111.986 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HG2' HD21 ' A' ' 37' ' ' LEU . 5.6 mptp? -63.56 -50.82 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 73.52 111.33 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -64.22 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.657 -0.247 . . . . 75.33 111.619 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 95.1 mtt180 -59.94 -43.15 95.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.207 0.527 . . . . 74.02 111.006 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -78.7 -16.39 57.32 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.883 -0.599 . . . . 74.35 111.394 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 37' ' ' LEU . 11.4 tp . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.222 0.534 . . . . 74.33 109.884 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.757 0.313 . . . . 42.55 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.67 -159.26 24.75 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.591 -0.814 . . . . 61.44 111.492 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.96 129.74 38.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.324 -0.621 . . . . 72.51 109.324 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mm -118.61 162.09 17.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.038 -0.528 . . . . 64.23 109.845 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.16 62.05 4.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.345 -0.455 . . . . 73.42 112.744 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -124.25 161.68 25.29 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.761 -0.459 . . . . 73.3 109.761 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 62.4 mt -78.05 -66.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.162 -0.681 . . . . 71.14 109.162 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.54 134.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 71.23 109.726 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -102.6 -163.79 1.03 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.756 -0.656 . . . . 72.42 109.853 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.54 163.88 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.889 0.376 . . . . 71.01 110.318 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.48 -168.91 32.94 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.506 -0.854 . . . . 51.41 111.985 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.47 -27.16 16.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.147 0.499 . . . . 71.42 109.918 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 17.41 11.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 71.52 110.804 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 64' ' ' LYS . 24.2 t -105.51 125.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 71.43 110.417 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -134.35 125.57 27.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.525 0.202 . . . . 64.52 110.674 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 1.052 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 2.8 p30 -108.18 145.97 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.443 0.639 . . . . 71.33 111.896 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 134.86 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.993 -1.003 . . . . 73.34 109.096 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -110.82 110.64 21.34 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.547 -0.751 . . . . 52.45 109.831 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.67 144.95 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 73.51 110.441 -174.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -125.07 137.01 54.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.288 -0.415 . . . . 73.43 110.003 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.58 167.79 9.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.356 0.41 . . . . 62.12 110.594 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.75 -45.06 93.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.229 0.455 . . . . 65.24 112.229 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 p -124.3 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.096 0.474 . . . . 51.41 111.939 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.777 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 28.3 ttpp -65.16 -36.83 85.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.385 -0.825 . . . . 65.31 109.215 175.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.66 -46.71 67.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 74.33 111.294 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.06 88.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 61.21 110.474 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 24' ' ' LYS . 95.3 mt -57.27 -46.49 83.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.803 -0.635 . . . . 64.15 110.756 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.45 -37.75 88.48 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.064 -0.517 . . . . 63.21 111.434 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.1 m -62.2 -43.78 98.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.063 0.459 . . . . 74.4 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -43.81 62.37 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.937 -0.574 . . . . 65.4 110.789 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 61' ' ' ALA . 17.8 tp -57.47 -42.15 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 71.41 110.804 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.27 66.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 70.01 111.129 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 58.2 mmtt -76.07 -29.17 57.87 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.178 -0.465 . . . . 62.14 111.249 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.78 -41.66 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.961 -0.385 . . . . 75.02 109.961 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 31' ' ' LEU . 66.6 mt -61.65 -37.92 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.505 0.669 . . . . 73.33 109.975 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.05 -46.38 89.42 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.263 -0.88 . . . . 74.44 110.558 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 81' ' ' LEU . 1.2 tt -63.26 -37.13 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.83 -0.623 . . . . 74.34 109.853 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.91 82.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 70.02 110.824 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.57 -24.2 67.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.184 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 -29.33 61.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 54.41 110.299 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.75 -45.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 63.21 110.466 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 t -147.08 109.16 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 75.13 110.292 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.78 -28.87 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.393 . . . . 64.44 110.849 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.13 24.35 13.85 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.939 -0.573 . . . . 52.13 112.527 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB3' ' A' ' 63' ' ' PHE . 14.0 p -70.23 138.48 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.771 0.319 . . . . 65.31 110.539 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -114.32 133.7 55.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.965 -0.754 . . . . 71.43 108.965 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.1 p90 -140.78 149.04 41.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.111 0.481 . . . . 61.41 112.287 -174.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.577 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 14.5 m120 -124.11 167.21 14.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.253 -0.885 . . . . 75.53 109.109 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.44 153.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.203 -0.666 . . . . 73.52 109.203 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 m -62.97 174.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.766 0.317 . . . . 65.11 110.405 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -67.06 118.5 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.703 0.763 . . . . 74.43 110.254 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 94.8 mt -93.71 118.9 32.01 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.238 -0.892 . . . . 73.05 110.536 -175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -139.18 -170.58 2.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.727 -0.67 . . . . 71.15 109.937 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.74 -22.22 56.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.876 0.369 . . . . 74.12 110.083 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -103.2 12.59 35.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.668 0.618 . . . . 72.32 112.668 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -89.61 98.25 11.66 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.328 -0.549 . . . . 63.32 110.263 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 57' ' ' LYS . 3.7 mppt? -94.46 3.54 55.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.352 -0.981 . . . . 70.52 108.352 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -145.26 139.59 27.23 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.5 -1.227 . . . . 73.25 108.95 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 27' ' ' LEU . 1.9 pt? -145.37 148.62 33.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.044 0.45 . . . . 75.54 110.405 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -121.79 106.04 10.92 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.641 -0.709 . . . . 70.32 110.04 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' A' ' 31' ' ' LEU . . . -110.58 123.37 49.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.27 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 1.052 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -110.82 127.89 55.56 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.297 0.57 . . . . 75.41 111.951 -177.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.417 ' HB3' HG21 ' A' ' 45' ' ' VAL . 58.8 m-85 -102.98 119.54 39.03 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.56 -1.2 . . . . 72.44 109.061 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -100.43 137.93 38.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.33 -0.619 . . . . 64.33 109.33 174.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 94.2 m-85 -109.88 -172.68 2.09 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.466 -0.788 . . . . 71.01 110.082 -174.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.03 -37.79 21.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.077 0.465 . . . . 75.34 110.234 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.9 m -131.39 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.013 -0.539 . . . . 75.45 110.555 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.1 m -66.18 -20.16 66.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 74.21 111.332 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -65.31 -39.21 92.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 53.45 110.55 177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 62.1 mt-10 -65.75 -33.81 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 74.43 110.633 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 26.0 ttpp -59.22 -56.05 27.13 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.769 -0.65 . . . . 74.11 109.539 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -54.04 -45.19 71.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.402 -1.272 . . . . 73.02 111.336 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 69' ' ' ALA . 89.3 mt -59.32 -45.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 71.3 110.813 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.49 -42.14 98.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 70.5 110.374 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 46.2 mt-10 -64.05 -40.69 96.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.694 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -44.55 89.2 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.504 -0.316 . . . . 65.34 111.506 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.37 -40.0 81.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.604 -0.271 . . . . 61.12 111.625 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 10.7 p -65.5 -21.84 66.66 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 121.046 -0.262 . . . . 61.12 111.565 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 83' ' ' ARG . 29.4 mmt180 -60.52 -43.89 96.64 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.742 0.306 . . . . 72.25 111.382 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -80.86 -13.36 59.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.897 0.38 . . . . 73.4 111.731 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 37' ' ' LEU . 11.7 tp -94.38 -39.4 10.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.282 -0.417 . . . . 74.43 111.049 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.14 17.53 9.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.278 0.473 . . . . 64.31 112.278 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 79' ' ' ARG . 38.1 mtm180 -94.81 -179.8 4.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.11 -0.7 . . . . 71.2 109.11 172.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt 54.11 80.11 0.12 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.552 0.532 . . . . 72.32 109.733 -172.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.3 134.49 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.325 -0.852 . . . . 54.35 110.163 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -118.89 8.0 11.63 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.253 -0.885 . . . . 74.44 111.701 -167.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -86.75 95.68 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.394 -0.965 . . . . 75.45 108.394 170.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -142.51 21.88 2.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.44 -0.8 . . . . 60.44 109.32 -172.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 74.17 -25.93 0.19 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.847 -1.069 . . . . 71.32 111.625 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -70.73 -20.95 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.744 -1.206 . . . . 53.31 107.744 166.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 C--O 1.244 0.782 0 CA-C-N 113.831 -1.531 . . . . 70.12 107.029 171.677 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.942 0.401 . . . . 70.43 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.08 81.17 0.3 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.206 -1.158 . . . . 43.52 110.206 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.35 96.9 1.93 Allowed 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.786 0.803 . . . . 64.24 113.081 -170.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 5' ' ' GLY . 16.2 mt -85.66 169.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 107.429 -1.323 . . . . 74.41 107.429 169.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' H ' HG22 ' A' ' 4' ' ' ILE . . . -67.74 53.98 0.35 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 113.906 0.322 . . . . 74.0 113.906 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -124.44 168.14 13.45 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.185 -0.672 . . . . 74.23 109.185 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.415 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 39.4 mm -79.38 -58.3 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.849 0.356 . . . . 71.13 110.704 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.62 137.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.33 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 24.8 pttt -106.22 -169.7 1.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 61.52 110.67 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -67.82 163.34 22.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.471 -0.331 . . . . 73.2 111.3 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.74 172.26 39.62 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.441 -0.664 . . . . 75.12 111.441 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -76.86 -27.89 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 42.22 111.214 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.12 4.14 46.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.024 -0.535 . . . . 52.4 110.59 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.38 120.46 58.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.991 -0.549 . . . . 60.31 110.455 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.853 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -113.75 104.59 12.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.202 -0.453 . . . . 74.24 110.179 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 1.012 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 4.8 p-10 -96.19 128.78 43.41 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 121.511 0.672 . . . . 74.04 110.159 174.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.05 133.47 60.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 114.727 -1.124 . . . . 63.12 109.511 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.6 m -97.91 113.48 25.32 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.465 -0.939 . . . . 65.35 108.465 174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 20.0 mt -96.11 136.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.348 -0.612 . . . . 74.41 109.348 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.05 127.57 55.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.57 -0.741 . . . . 74.44 109.94 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.83 179.45 6.23 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.529 -0.759 . . . . 51.23 109.817 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -74.19 -42.42 59.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.873 0.368 . . . . 72.21 110.519 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.3 p -137.25 171.18 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.389 -0.369 . . . . 61.54 111.535 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 tmpt? -57.32 -42.04 81.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.516 -0.766 . . . . 74.54 110.292 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.12 -46.94 81.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 75.14 111.323 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.42 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 64.44 110.171 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.3 tp -59.03 -46.94 86.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.69 -0.686 . . . . 73.4 110.269 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 52' ' ' LEU . 20.8 mt-10 -59.27 -41.66 89.39 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.76 -0.655 . . . . 74.2 111.613 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.6 t -59.51 -52.3 66.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.119 0.485 . . . . 63.2 110.45 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.45 -41.61 98.64 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.583 -0.735 . . . . 73.21 111.108 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . 24.9 tp -59.03 -48.52 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.08 -38.3 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.742 . . . . 53.4 111.265 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' SER . 94.5 mttt -64.7 -41.97 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 70.12 111.073 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -71.03 -34.27 71.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.454 . . . . 61.14 110.746 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -64.62 -41.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.132 0.492 . . . . 54.53 110.095 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.02 -42.78 94.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.84 -0.618 . . . . 52.32 110.616 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.7 -38.57 85.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 71.31 109.996 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.14 89.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.836 -0.62 . . . . 52.31 110.863 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.6 -21.98 65.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 41.53 111.283 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -76.71 -19.92 57.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 74.44 110.393 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.72 -50.23 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.998 0.427 . . . . 53.11 110.737 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.492 ' CB ' ' HD1' ' A' ' 65' ' ' PHE . 52.1 t -131.04 121.04 24.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.832 -0.622 . . . . 63.4 110.203 -173.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.9 -39.93 41.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 54.42 110.924 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.78 34.22 4.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.102 -0.57 . . . . 75.53 112.6 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.11 126.68 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.436 0.636 . . . . 74.14 111.145 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' A' ' 64' ' ' LYS . 10.1 pt-20 -110.35 127.04 54.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.957 -0.757 . . . . 64.41 108.957 175.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 38.1 p90 -137.78 153.77 49.64 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.346 -0.542 . . . . 73.14 112.208 -170.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 13.2 m120 -124.78 167.18 14.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.01 -0.995 . . . . 70.22 108.581 170.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' THR . 8.3 p -161.77 145.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.277 -0.42 . . . . 64.1 110.502 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 152.99 28.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.566 -0.531 . . . . 73.32 109.566 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.2 pm0 -81.0 124.89 29.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.43 0.634 . . . . 64.11 109.67 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.692 ' H ' HD23 ' A' ' 52' ' ' LEU . 2.3 pt? -93.45 115.31 27.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.4 -0.818 . . . . 55.25 110.174 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -106.82 -172.29 2.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 64.44 109.436 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 53' ' ' THR . 7.7 mm-40 -59.02 -36.05 74.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.024 0.44 . . . . 73.25 111.563 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.28 2.49 55.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 71.42 112.153 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 m -91.87 102.82 15.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.06 0.457 . . . . 74.31 111.064 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 10.52 40.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.482 0.658 . . . . 73.12 109.652 173.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -147.73 154.34 40.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.9 -1.045 . . . . 72.42 109.463 174.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.56 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pt? -154.41 148.54 25.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.157 -0.312 . . . . 73.43 110.157 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 62.8 m -106.05 110.74 23.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.22 -0.445 . . . . 73.14 110.765 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.59 126.47 54.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.605 . . . . 55.13 110.33 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 1.012 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -116.48 118.66 33.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.163 0.506 . . . . 75.35 111.333 177.244 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.473 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 36.0 m-85 -97.68 119.3 36.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.021 -0.99 . . . . 72.34 109.388 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HB3' ' HG3' ' A' ' 46' ' ' GLU . 48.5 tttm -92.22 114.97 27.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.389 -0.597 . . . . 71.44 109.389 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 63.1 m-85 -90.33 179.49 5.87 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.663 -0.699 . . . . 63.24 109.929 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.5 -58.95 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.48 0.657 . . . . 61.43 109.912 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.41 -174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.217 -0.901 . . . . 73.11 110.073 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 m -65.77 -30.71 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.411 . . . . 53.44 111.093 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -57.92 -49.07 78.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.531 -0.759 . . . . 64.54 111.424 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 4.7 mm-40 -61.83 -37.56 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 74.54 110.156 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.853 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -62.98 -49.3 75.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 74.45 110.224 -178.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.3 mt -62.05 -44.82 95.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 75.55 111.281 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 69' ' ' ALA . 43.6 mm -59.99 -42.23 88.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.936 0.398 . . . . 70.51 110.962 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.24 -47.69 84.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 74.34 110.319 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 30.8 mt-10 -62.62 -38.33 89.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 72.45 111.236 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 80.4 mt -59.44 -43.39 93.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.997 0.427 . . . . 55.34 110.869 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.47 -42.94 77.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 70.42 111.015 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 32.6 p -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.023 -0.271 . . . . 71.03 111.619 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -58.81 -43.83 90.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.068 0.461 . . . . 71.01 111.098 176.499 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.5 m -78.76 -17.3 56.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.893 -0.594 . . . . 73.01 111.453 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp -92.45 -39.02 11.65 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.133 -0.485 . . . . 72.22 110.413 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.35 15.94 11.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.633 0.73 . . . . 72.55 110.035 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.437 ' HG2' ' HG2' ' A' ' 85' ' ' GLU . 26.6 ttp180 -67.87 150.64 48.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.562 -1.199 . . . . 70.55 109.689 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.03 26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.275 0.472 . . . . 71.33 112.275 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' HG2' ' HG2' ' A' ' 83' ' ' ARG . 13.3 pt-20 -154.14 154.67 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.55 0.691 . . . . 75.11 111.578 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.82 -19.31 12.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.624 -1.171 . . . . 75.21 109.766 173.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -169.98 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.962 -1.017 . . . . 71.42 108.296 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -166.43 128.68 1.85 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.545 -1.279 . . . . 75.53 107.545 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -109.35 -24.85 10.86 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.922 0.392 . . . . 64.15 110.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -78.73 125.79 29.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.545 . . . . 74.14 110.682 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.275 -0.869 . . . . 73.15 109.824 175.795 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.654 0.264 . . . . 63.33 110.387 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.86 137.24 20.43 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.036 -0.602 . . . . 75.22 112.273 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -91.51 148.93 21.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.975 -0.38 . . . . 75.11 109.975 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.19 154.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.929 0.395 . . . . 41.41 110.03 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.6 -46.2 5.83 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.85 -0.613 . . . . 71.21 112.942 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 55.47 -173.41 0.06 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.169 0.587 . . . . 72.55 111.347 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.62 -47.2 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.15 -0.685 . . . . 75.04 109.15 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.427 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 69.0 mt -94.98 128.09 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 74.34 109.49 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -106.26 -173.47 2.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 63.54 110.619 -175.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.47 167.72 12.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 64.21 110.96 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.03 -172.92 45.16 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.427 -0.892 . . . . 74.31 112.271 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.13 -27.94 35.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.506 0.67 . . . . 73.33 110.013 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 15.15 24.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 54.12 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG22 ' HG3' ' A' ' 64' ' ' LYS . 21.5 t -118.74 140.55 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 61.44 110.7 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.83 139.69 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 74.21 111.019 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -97.27 139.44 33.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.082 0.468 . . . . 73.12 110.761 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.95 135.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 75.04 108.903 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 m -134.3 119.62 18.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.826 0.346 . . . . 64.11 110.503 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 3.4 mp -106.03 143.18 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.708 -0.479 . . . . 62.11 109.708 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 23.3 p90 -135.16 143.13 46.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.189 -0.459 . . . . 63.53 110.436 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.25 178.59 6.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.911 -0.586 . . . . 63.42 110.02 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.501 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 5.6 mm-40 -81.87 -36.09 28.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.0 0.37 . . . . 70.23 112.0 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.3 p -109.36 142.26 40.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 75.34 111.155 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.55 -36.29 73.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.151 0.501 . . . . 74.25 109.773 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.92 -44.17 78.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.218 -0.901 . . . . 72.43 111.143 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.9 97.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.719 0.295 . . . . 53.34 110.639 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.2 mp -56.26 -55.08 37.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.778 -0.646 . . . . 43.22 110.177 173.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.87 -39.49 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.451 -0.795 . . . . 71.22 111.756 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 42.4 m -66.36 -47.52 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.726 0.298 . . . . 71.31 111.41 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 71.44 110.179 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 59' ' ' LEU . 2.3 tm? -59.54 -45.48 91.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 74.54 110.064 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.91 73.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.469 -0.787 . . . . 72.13 111.331 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' SER . 92.7 mttt -61.26 -44.83 96.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.101 0.477 . . . . 74.5 110.566 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -69.07 -36.85 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 74.01 111.13 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.7 mt -66.62 -39.97 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.452 . . . . 73.21 110.125 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.12 -40.31 95.91 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.964 -0.562 . . . . 73.32 111.026 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -66.5 -38.16 86.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.981 -0.554 . . . . 70.42 109.543 175.141 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.3 91.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 65.22 111.068 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.45 -0.341 . . . . 74.21 111.113 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -73.78 -33.71 64.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.963 0.411 . . . . 62.43 110.13 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.56 -39.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.51 . . . . 72.35 110.952 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 49.0 t -130.46 126.19 36.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.058 0.456 . . . . 65.15 110.355 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.66 22.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.663 -0.698 . . . . 63.53 110.974 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.94 52.18 0.67 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.776 -0.726 . . . . 75.43 112.698 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.2 p -73.66 125.78 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.142 0.496 . . . . 53.34 110.642 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.39 119.2 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.402 -0.592 . . . . 74.04 109.402 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 14.9 p90 -130.79 142.22 50.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.44 0.638 . . . . 61.54 112.238 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.84 167.2 10.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.234 -0.894 . . . . 65.54 109.196 171.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.53 147.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.86 -0.609 . . . . 73.4 109.364 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -70.4 167.33 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.805 -0.443 . . . . 70.45 109.805 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.52 129.64 34.96 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.109 0.48 . . . . 64.3 110.455 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -83.6 123.54 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 71.02 110.453 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 p -121.13 -177.79 3.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.748 -0.66 . . . . 70.31 110.264 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.22 -36.21 69.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.122 0.487 . . . . 73.22 111.162 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.13 -7.97 31.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 54.22 112.71 -171.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 116.78 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.358 0.599 . . . . 71.21 112.441 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 5.5 mptp? -88.5 -22.22 23.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 64.41 110.302 173.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -131.97 158.73 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 70.31 111.253 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.578 HD11 ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt? -146.78 140.47 25.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 74.42 109.848 173.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.0 m -104.08 118.67 37.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.09 -0.504 . . . . 65.12 110.769 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.54 122.99 49.1 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.698 -0.683 . . . . 63.12 109.299 176.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 42.8 ttm180 -108.11 116.38 31.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.11 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.5 113.4 26.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 75.44 111.141 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 14' ' ' VAL . 33.1 tttm -97.37 120.99 38.74 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 71.01 109.377 171.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 77.0 m-85 -93.75 -176.76 4.15 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.695 -0.483 . . . . 74.12 109.695 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -93.71 -36.16 12.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.028 0.442 . . . . 74.32 110.154 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -127.24 150.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 44.13 109.16 172.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 m -71.62 -12.29 61.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.057 0.456 . . . . 71.04 111.133 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 35.24 110.019 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 61.1 mt-10 -59.21 -35.47 73.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 75.42 110.152 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 24.0 ttpp -59.04 -57.65 12.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.392 -0.822 . . . . 72.14 110.007 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.76 -45.21 74.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.753 -1.112 . . . . 62.22 111.309 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.1 mt -59.15 -45.35 92.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.757 0.313 . . . . 74.1 110.969 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 37' ' ' LEU . 84.6 t80 -65.2 -43.87 90.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.468 . . . . 63.24 110.556 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 44.8 mt-10 -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 72.05 110.748 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.42 -43.3 97.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.29 -0.414 . . . . 63.32 111.787 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -72.92 -36.83 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.553 -0.294 . . . . 74.32 111.694 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.8 p -70.24 -35.22 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.764 -0.198 . . . . 60.1 111.22 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 92.4 mtt180 -56.22 -44.5 79.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.965 0.412 . . . . 61.34 111.38 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -80.7 -19.31 45.41 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.038 -0.528 . . . . 60.22 112.235 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -95.42 -38.69 10.36 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.025 0.44 . . . . 73.05 111.249 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.03 16.38 26.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.099 -0.501 . . . . 73.31 112.054 -171.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -85.15 165.01 17.79 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.457 -0.942 . . . . 74.15 108.457 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -77.74 50.77 0.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.206 0.527 . . . . 75.42 110.474 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 67.73 169.22 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.639 -1.164 . . . . 73.22 111.398 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -110.52 79.82 1.25 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.781 -1.563 . . . . 72.23 106.781 163.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -71.25 96.77 1.45 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.776 . . . . 73.3 111.701 -165.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -89.79 147.17 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 74.54 109.762 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -101.85 -33.75 9.68 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 74.53 110.542 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -157.33 136.65 11.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.267 . . . . 71.55 110.278 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.762 -0.637 . . . . 37.04 110.284 179.492 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.96 0.41 . . . . 53.14 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.01 -128.5 4.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.273 -0.731 . . . . 74.03 111.273 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -131.85 136.92 47.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.805 -0.813 . . . . 71.42 108.805 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.519 ' HB ' ' NH2' ' A' ' 62' ' ' ARG . 7.8 mm -65.02 153.24 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 72.45 110.681 -173.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.52 69.74 0.47 Allowed Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.725 -0.671 . . . . 70.31 112.735 -172.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -99.69 178.75 4.75 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.353 -0.424 . . . . 74.42 110.052 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.75 -53.26 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 72.13 109.431 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.7 mt -89.42 126.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 53.22 109.741 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 55.7 mtmt -96.0 -177.83 4.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.08 -0.509 . . . . 65.03 110.726 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.75 168.18 9.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.405 0.622 . . . . 72.2 112.205 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.35 177.86 40.25 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.304 -0.862 . . . . 53.32 111.343 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.93 -17.44 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.766 0.317 . . . . 50.45 111.758 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -101.65 3.33 39.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.122 0.487 . . . . 74.32 109.894 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.36 136.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 73.34 111.318 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -131.53 109.98 10.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 72.24 109.735 174.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.92 134.98 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.231 0.538 . . . . 73.22 110.606 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.2 p -141.04 153.38 20.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.504 -0.771 . . . . 50.23 111.165 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.0 m -134.19 127.05 31.18 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.564 -0.744 . . . . 65.42 109.752 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 27.2 mt -98.59 142.51 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.635 -0.506 . . . . 73.12 109.635 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -126.63 140.03 52.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.754 0.311 . . . . 63.42 110.648 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.61 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -173.78 157.03 2.98 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.964 -0.754 . . . . 54.15 108.964 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 70.9 mm-40 -74.2 -23.22 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.171 0.434 . . . . 73.45 112.171 -174.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -114.6 139.92 49.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.508 -0.477 . . . . 70.14 111.014 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 53' ' ' THR . 26.4 ttpp -62.35 -34.65 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.421 0.629 . . . . 61.02 109.711 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.73 -38.21 81.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.197 -0.91 . . . . 55.24 110.599 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.38 83.55 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.077 -0.342 . . . . 72.55 110.077 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 21' ' ' ALA . 9.9 mp -55.72 -55.72 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.664 . . . . 72.43 110.112 173.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -41.18 98.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.499 -0.773 . . . . 74.42 111.955 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -65.63 -43.45 89.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.587 0.232 . . . . 63.31 111.589 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 17.3 tt0 -76.32 -34.38 59.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.836 0.35 . . . . 74.43 110.163 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.3 tp -52.57 -47.97 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.852 -0.613 . . . . 74.3 110.524 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.95 -35.91 64.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.24 -0.891 . . . . 52.31 111.31 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.34 -44.16 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.209 0.528 . . . . 74.15 110.341 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.1 m-85 -65.89 -37.88 87.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.492 -0.777 . . . . 60.1 110.727 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 31' ' ' LEU . 75.1 mt -63.27 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 73.1 110.549 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.85 -44.68 92.41 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.117 0.484 . . . . 72.42 110.098 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -63.16 -32.87 74.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.91 -0.587 . . . . 73.33 111.033 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 53.31 110.483 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -70.76 -25.36 62.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 75.2 110.912 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 t -66.57 -41.55 88.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 74.55 109.768 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 66.0 t -79.26 -52.97 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 61.12 110.697 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.4 t -128.45 118.95 23.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.182 0.515 . . . . 71.33 110.693 -175.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.04 79.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 53.33 111.115 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.75 33.04 6.71 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.479 -0.867 . . . . 65.13 112.567 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -62.82 127.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.191 0.519 . . . . 64.43 111.258 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.42 135.5 38.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.61 -0.723 . . . . 62.54 109.225 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 8.5 p90 -143.82 139.57 29.39 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.56 0.695 . . . . 74.34 112.862 -176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 14.6 m120 -112.46 167.8 10.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.865 -1.161 . . . . 70.5 107.865 170.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -156.63 152.24 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 110.227 -0.286 . . . . 74.34 110.227 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -66.98 165.36 15.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.941 0.401 . . . . 75.53 110.304 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.32 129.4 34.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.132 -0.485 . . . . 72.33 109.84 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.97 125.6 29.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.75 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' A' ' 24' ' ' LYS . 24.8 p -116.8 -179.11 3.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.362 -0.607 . . . . 74.24 109.362 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -76.1 -30.29 58.2 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.883 -0.327 . . . . 65.52 111.784 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.6 25.5 11.73 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.876 0.324 . . . . 73.03 111.876 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -65.68 120.58 13.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 72.23 111.714 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.54 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 2.7 mptm? -107.01 -1.95 21.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.155 0.502 . . . . 73.25 109.995 169.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -149.24 154.79 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.727 -0.67 . . . . 73.22 110.611 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -152.12 140.38 20.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.847 -0.615 . . . . 73.21 109.369 170.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 m -105.57 128.48 53.63 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.884 -0.598 . . . . 53.41 110.114 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 117.85 31.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.933 -0.576 . . . . 50.53 110.14 -178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 17.7 tpp85 -95.89 114.16 25.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.478 -0.783 . . . . 73.33 109.623 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.4 m-85 -112.65 124.77 53.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.725 0.297 . . . . 62.53 111.305 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -115.79 123.87 49.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.241 -0.652 . . . . 73.54 109.241 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 85.3 m-85 -90.93 -176.03 4.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.766 -0.652 . . . . 74.42 110.281 -177.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -93.19 -28.11 16.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 121.152 0.501 . . . . 75.23 110.083 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -134.49 160.13 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.705 -0.679 . . . . 54.35 110.001 171.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.86 -23.78 64.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.008 0.432 . . . . 73.05 111.721 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.65 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.098 -0.501 . . . . 71.12 111.43 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 71.3 mt-10 -68.44 -29.24 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.409 -0.36 . . . . 63.33 110.777 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 61.8 tttp -56.25 -60.33 3.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.677 0.751 . . . . 74.25 109.709 173.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -51.94 -48.0 64.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.812 -1.54 . . . . 73.12 111.68 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.88 -45.64 94.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.801 0.334 . . . . 72.34 111.148 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.62 -42.81 86.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.345 -0.389 . . . . 65.42 110.466 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -64.2 -36.82 85.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.469 . . . . 51.11 110.994 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.68 -39.56 93.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.3 -0.409 . . . . 63.01 111.428 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -79.36 -32.74 43.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.769 0.285 . . . . 72.34 111.769 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 p -74.1 -29.35 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.0 -0.28 . . . . 70.14 111.573 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -55.32 -42.92 74.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.946 0.403 . . . . 63.24 111.841 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -65.45 -30.63 71.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.284 -0.416 . . . . 63.45 111.758 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -79.35 -42.54 25.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.355 0.598 . . . . 70.12 109.631 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.22 92.98 2.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.989 -1.005 . . . . 70.42 110.541 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -87.91 -3.46 58.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.711 -0.677 . . . . 74.54 110.371 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -111.31 34.98 3.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.638 -0.71 . . . . 70.41 111.211 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -76.31 161.39 28.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.179 0.514 . . . . 75.3 111.498 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -113.08 135.66 53.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.5 -0.773 . . . . 62.34 109.392 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -85.09 142.96 29.16 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.528 -0.545 . . . . 64.22 109.528 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -91.36 26.34 2.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.303 0.573 . . . . 74.21 110.734 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -138.66 104.96 5.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.579 -0.737 . . . . 74.5 109.411 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -130.99 100.78 5.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.09 0.472 . . . . 74.42 111.303 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 118.436 -0.792 . . . . 72.5 109.203 174.138 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.081 -0.341 . . . . 61.41 110.081 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.58 84.01 1.73 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.729 -0.748 . . . . 73.43 112.268 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.599 ' HG3' ' HD3' ' A' ' 9' ' ' LYS . 41.4 tt0 -91.96 137.19 32.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 63.31 109.622 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 mt -120.83 166.32 15.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.647 -0.871 . . . . 72.1 108.647 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.77 48.66 1.31 Allowed Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.337 -0.459 . . . . 52.42 113.25 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.15 175.57 9.46 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.895 -0.78 . . . . 72.12 108.895 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mm -83.62 -33.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.589 0.709 . . . . 74.22 110.122 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 89.0 mt -94.83 124.91 47.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.349 -0.841 . . . . 71.43 111.433 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' HD3' ' HG3' ' A' ' 3' ' ' GLU . 9.5 mtmp? -104.06 -168.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.5 -0.773 . . . . 75.21 110.347 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.82 163.68 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.442 0.534 . . . . 72.01 112.442 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.61 -176.5 39.71 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.182 -0.767 . . . . 54.45 111.182 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.95 -30.44 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.654 0.74 . . . . 65.53 109.781 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -81.42 -5.02 57.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.961 -1.018 . . . . 72.25 109.941 177.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.66 138.05 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 73.41 111.098 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.92 113.4 7.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.74 -0.664 . . . . 70.34 109.692 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 4.5 p-10 -106.3 142.56 35.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.082 0.468 . . . . 72.12 110.893 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 t -124.7 132.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.557 -0.747 . . . . 63.52 109.697 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -104.88 110.7 23.17 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.289 -0.869 . . . . 71.25 110.042 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 12.4 mt -99.77 136.77 29.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.25 -0.432 . . . . 55.54 110.151 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -151.35 142.29 22.99 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.867 -0.606 . . . . 75.14 110.061 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.97 -166.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.163 -0.471 . . . . 53.33 110.226 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.81 -30.65 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 74.24 110.985 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -135.27 154.47 51.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 63.3 111.085 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 ttmp? -59.21 -34.2 71.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.823 -0.626 . . . . 70.12 110.854 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.37 -42.86 74.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 74.45 111.349 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.03 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 44.44 110.219 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD22 ' A' ' 59' ' ' LEU . 11.2 mp -58.36 -49.09 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.634 . . . . 74.34 110.507 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 49.0 mt-10 -60.24 -42.17 94.69 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.916 -0.584 . . . . 54.11 111.165 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.1 m -62.47 -52.28 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 54.23 110.969 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.77 -40.83 97.66 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.167 -0.47 . . . . 64.41 111.052 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.9 tp -57.79 -51.22 70.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.04 -0.527 . . . . 71.21 110.307 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.5 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.489 -0.778 . . . . 74.14 111.166 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.86 -41.03 97.88 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.29 -0.414 . . . . 72.01 111.134 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.01 -40.38 75.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.406 -0.361 . . . . 72.14 111.079 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.412 HG22 ' HE3' ' A' ' 39' ' ' LYS . 67.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 73.24 110.428 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.16 -46.75 89.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.106 -0.497 . . . . 73.22 110.308 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.05 -35.67 75.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 73.13 110.062 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.33 86.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.551 . . . . 64.22 110.712 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' HG22 ' A' ' 35' ' ' ILE . 85.5 mttt -69.47 -26.62 64.66 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.11 0.481 . . . . 71.22 110.5 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 t -69.06 -36.26 77.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 73.23 110.226 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -88.64 -42.22 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.4 111.387 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 65' ' ' PHE . 44.7 t -130.49 135.22 47.73 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.293 0.568 . . . . 71.31 110.289 -174.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.87 -44.17 20.95 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.466 -0.788 . . . . 72.43 111.093 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.56 60.03 0.35 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.997 -0.62 . . . . 60.34 111.947 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.06 131.97 37.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.842 0.353 . . . . 64.22 111.114 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.73 140.45 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.262 -0.644 . . . . 65.11 109.262 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 45.6 p90 -144.47 151.65 39.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.303 0.573 . . . . 72.35 111.388 177.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 13.1 m120 -120.96 161.63 21.28 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 75.32 109.437 175.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 59' ' ' LEU . 60.4 t -141.02 149.81 20.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.362 -0.835 . . . . 73.04 108.962 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 46.0 m -70.58 179.58 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 74.42 110.887 177.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.72 117.6 16.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 73.33 110.918 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.92 113.7 20.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 64.43 110.457 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 p -139.4 172.21 13.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.515 -0.766 . . . . 53.25 109.311 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -43.21 82.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 71.55 110.915 -178.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -106.48 46.45 0.92 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.152 0.426 . . . . 73.55 112.152 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -84.78 95.51 8.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.187 -1.042 . . . . 52.33 108.187 165.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -2.88 55.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.5 . . . . 65.04 109.873 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 156.51 18.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.493 -0.776 . . . . 63.04 110.044 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 HD23 ' A' ' 27' ' ' LEU . 2.5 pt? -152.2 148.99 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.045 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.6 m -113.21 115.2 27.85 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.166 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.39 113.42 26.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.001 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.583 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 24.3 mtp180 -98.7 116.41 30.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.243 -0.435 . . . . 75.45 109.952 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -103.15 126.62 50.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.153 0.283 . . . . 53.01 110.333 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -119.9 115.12 23.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.449 -0.574 . . . . 51.41 109.449 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HD2' ' CB ' ' A' ' 42' ' ' CYS . 71.4 m-85 -86.32 -173.65 4.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.655 -0.702 . . . . 63.31 110.572 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -81.22 -39.1 25.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.132 0.491 . . . . 65.02 110.036 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -135.07 161.65 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.7 -0.682 . . . . 61.41 110.453 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.7 m -65.65 -27.49 68.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.245 -0.434 . . . . 51.34 111.406 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.77 84.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 73.51 110.93 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 66.0 mt-10 -67.29 -35.06 78.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.606 . . . . 64.15 110.271 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.89 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.2 tmmm? -62.59 -51.26 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.502 -0.772 . . . . 53.21 109.665 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.8 mt -53.52 -47.07 70.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.971 . . . . 74.33 111.468 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.06 -44.13 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 64.31 111.018 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 74.23 110.549 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 6.9 mm-40 -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 74.12 110.674 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -39.38 91.35 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.213 -0.449 . . . . 75.15 111.788 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.46 -39.18 67.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.439 -0.346 . . . . 74.15 111.305 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.443 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 12.6 p -72.45 -21.3 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.922 0.342 . . . . 75.22 111.922 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 2.3 mmp_? -55.44 -50.59 69.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.839 0.352 . . . . 71.25 111.647 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -87.25 -12.17 47.5 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.389 -0.369 . . . . 73.24 111.652 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 15.8 tp -81.42 -44.6 17.28 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.17 0.51 . . . . 55.51 109.731 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.72 60.59 1.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 74.22 109.424 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.424 ' HG2' ' HG ' ' A' ' 84' ' ' LEU . 59.8 ttt180 -128.54 155.53 44.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 64.1 110.147 -172.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HG ' ' HG2' ' A' ' 83' ' ' ARG . 66.6 mt 60.85 47.53 7.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.516 0.675 . . . . 74.43 110.958 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.48 161.96 30.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.997 -1.001 . . . . 64.0 111.607 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -152.47 87.42 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.433 -0.803 . . . . 60.31 109.689 172.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -82.93 70.77 10.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.552 -0.749 . . . . 73.54 110.327 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.7 m80 62.74 -178.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.467 -0.788 . . . . 75.04 110.844 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.6 m170 60.31 29.88 19.37 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.758 -0.656 . . . . 75.55 111.686 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -72.57 89.76 1.31 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.329 0.585 . . . . 75.23 109.758 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.106 -0.952 . . . . 74.03 110.726 -179.245 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HA ' HG21 ' A' ' 60' ' ' THR . . . . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.883 0.373 . . . . 63.52 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.25 -100.32 0.17 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.481 -1.048 . . . . 75.22 110.481 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.88 176.51 6.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.577 -0.527 . . . . 71.14 109.577 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.75 157.23 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.477 0.656 . . . . 74.32 110.184 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.96 35.25 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 109.399 -1.481 . . . . 64.41 109.399 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.69 150.26 30.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.633 -0.784 . . . . 74.01 110.261 -172.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.24 -46.81 9.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 107.612 -1.255 . . . . 71.2 107.612 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.2 mt -106.36 131.94 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.408 -1.269 . . . . 64.52 109.082 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -94.39 -177.49 4.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.38 -0.373 . . . . 72.35 110.494 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -59.09 163.49 3.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.329 0.585 . . . . 64.34 111.473 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.11 -177.03 47.79 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.02 -1.232 . . . . 73.5 110.02 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -30.36 66.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 117.141 0.47 . . . . 73.14 111.654 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 -0.32 23.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.249 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -103.92 121.53 55.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.003 -0.279 . . . . 62.54 110.998 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.742 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -115.05 111.97 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.621 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 19.7 t70 -88.83 136.42 33.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 74.15 110.381 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 145.79 35.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.886 -1.052 . . . . 73.23 109.695 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -130.42 110.39 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.114 0.483 . . . . 72.44 110.314 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.477 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 17.2 mt -100.62 141.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.847 -0.615 . . . . 72.2 110.0 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -142.55 151.94 42.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.375 -0.375 . . . . 54.13 110.493 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.03 -172.2 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 73.25 110.255 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -72.13 -35.83 69.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.133 0.419 . . . . 73.21 112.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -143.66 162.4 36.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 74.22 111.744 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 52' ' ' LEU . 76.8 tttt -58.71 -36.67 74.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 75.41 110.552 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -51.12 -44.02 61.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.235 -0.893 . . . . 74.13 111.137 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.92 -44.19 73.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 73.25 110.462 178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 59' ' ' LEU . 10.8 mp -53.78 -49.29 68.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.563 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.83 -36.16 71.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.339 -0.846 . . . . 73.44 111.504 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -76.7 -47.88 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 71.1 111.111 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 4.9 mm-40 -65.41 -39.69 92.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.218 -0.446 . . . . 65.4 111.268 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 59' ' ' LEU . 29.6 tp -55.87 -44.38 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.157 0.504 . . . . 75.14 110.418 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.27 70.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.24 -0.891 . . . . 70.43 111.118 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -66.79 -40.26 88.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.193 -0.458 . . . . 71.14 110.65 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -68.28 -40.55 81.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 75.21 111.183 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.36 -38.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.249 0.547 . . . . 72.03 109.889 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.42 -43.74 96.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.538 -0.756 . . . . 72.25 111.364 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 81' ' ' LEU . 75.4 mt -66.4 -34.17 77.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.437 . . . . 65.14 110.52 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 73.14 110.442 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.88 -32.31 71.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.921 -0.581 . . . . 74.15 110.894 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.3 t -65.93 -33.07 74.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.957 -0.565 . . . . 72.02 110.212 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -88.37 -49.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.006 -0.543 . . . . 75.11 111.27 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 38.0 t -128.79 129.68 45.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.327 0.584 . . . . 65.53 110.838 -172.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.72 -31.1 46.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.5 -0.773 . . . . 60.31 110.591 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.15 39.55 2.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.85 -0.69 . . . . 44.34 112.112 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.2 p -75.32 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 71.34 110.588 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -132.21 129.8 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.303 -0.629 . . . . 73.21 109.303 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -131.11 156.59 44.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 64.12 112.761 -170.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.7 167.32 11.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.701 -1.136 . . . . 74.35 108.667 171.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.75 148.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.189 -0.46 . . . . 74.45 109.995 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.8 m -70.22 173.21 6.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.851 0.358 . . . . 74.22 110.508 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.58 137.47 42.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.964 0.412 . . . . 73.23 110.695 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 96.3 mt -98.23 120.76 39.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 64.03 111.383 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -124.54 178.38 5.45 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 74.12 109.089 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.42 -11.91 59.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.062 0.458 . . . . 71.1 110.665 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -83.41 -14.03 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.748 -0.66 . . . . 63.24 110.498 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -72.44 122.35 21.1 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.947 -0.569 . . . . 64.14 111.048 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -121.61 7.5 10.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.645 -1.243 . . . . 72.42 107.645 175.186 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.79 140.59 16.1 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 113.639 -1.619 . . . . 65.21 109.245 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -143.97 153.28 42.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.959 0.409 . . . . 72.0 110.3 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.589 HG22 HH21 ' A' ' 62' ' ' ARG . 4.3 m -120.08 127.58 52.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.925 -0.58 . . . . 72.11 110.351 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.68 137.27 36.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 64.34 110.376 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.589 HH21 HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER -117.77 130.09 56.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.789 0.328 . . . . 65.42 110.657 -178.04 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -103.12 117.35 34.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.008 -0.542 . . . . 73.13 110.269 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.55 115.66 28.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 75.01 109.844 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -96.55 -164.67 1.18 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.677 -0.692 . . . . 72.13 109.43 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -95.76 -45.32 7.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.843 0.354 . . . . 72.54 110.984 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.15 164.29 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.583 -0.28 . . . . 74.43 111.624 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -65.53 -29.63 70.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.101 -0.5 . . . . 55.45 111.456 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.74 -35.04 78.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.602 -0.726 . . . . 75.14 111.524 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.36 -32.0 72.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 74.1 110.82 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.742 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 38.2 ttmt -58.4 -56.98 15.17 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.861 0.839 . . . . 62.5 109.51 172.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.29 -50.94 61.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.625 -1.625 . . . . 70.51 111.647 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.8 mt -57.88 -45.1 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.783 0.325 . . . . 74.12 111.131 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.52 -49.7 72.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.289 -0.414 . . . . 62.33 110.737 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 7.4 mm-40 -67.32 -28.35 67.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 62.1 112.239 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 76' ' ' LEU . 19.2 mt -65.25 -37.37 87.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.137 0.494 . . . . 63.13 110.179 174.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.52 -35.5 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 72.03 111.382 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.0 p -67.93 -29.56 68.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.895 0.379 . . . . 65.14 110.499 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 9.1 mmm180 -61.09 -47.34 86.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.28 -0.418 . . . . 73.41 111.328 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -81.26 -15.41 55.63 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.201 0.445 . . . . 75.42 112.201 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp -91.35 -40.56 11.4 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.003 0.43 . . . . 64.41 110.638 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.9 39.31 1.34 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 72.11 111.046 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -151.34 129.31 11.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.63 . . . . 72.05 109.579 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.9 mt 54.5 49.54 18.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.5 0.667 . . . . 72.01 110.659 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 88' ' ' HIS . 2.6 mp0 -64.82 175.05 1.6 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.89 -1.05 . . . . 74.14 110.152 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -58.75 -75.61 0.05 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 75.11 111.096 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -138.76 75.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.679 0.752 . . . . 72.12 111.227 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -100.3 19.03 17.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.669 -1.151 . . . . 75.41 108.679 175.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -50.16 95.15 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.735 -1.12 . . . . 54.14 113.632 -172.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 91' ' ' HIS . 1.6 m-70 160.07 -64.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.28 1.432 . . . . 72.2 108.338 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.511 ' HD2' ' HB3' ' A' ' 90' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.241 0.646 0 CA-C-N 115.526 -0.761 . . . . 75.0 109.678 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 74.32 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 9' ' ' LYS . . . -101.07 -171.68 28.64 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.725 -0.75 . . . . 72.24 113.007 -177.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -147.92 143.99 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.111 -0.7 . . . . 64.31 109.111 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 159.8 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.043 0.449 . . . . 73.42 111.833 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.97 -36.26 3.18 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.7 -0.682 . . . . 71.43 111.43 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 73.7 m-85 -110.53 157.95 19.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.321 -0.439 . . . . 72.55 110.088 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.32 -56.17 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.595 -0.521 . . . . 74.44 109.595 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' A' ' 64' ' ' LYS . 67.2 mt -69.73 121.6 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 74.41 110.736 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HB2' ' HA2' ' A' ' 2' ' ' GLY . 60.6 pttt -94.86 -173.83 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.639 -0.709 . . . . 61.01 110.509 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.1 164.34 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.357 0.599 . . . . 75.22 112.61 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.26 173.19 39.42 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.208 -1.157 . . . . 60.31 110.208 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.94 -18.91 45.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 117.396 0.598 . . . . 74.53 110.707 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.51 8.18 42.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.589 . . . . 71.52 110.567 175.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.65 120.79 61.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 74.33 110.774 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -125.84 120.55 30.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 61.44 110.191 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.915 ' HB3' ' HG3' ' A' ' 62' ' ' ARG . 9.3 p-10 -99.58 143.17 30.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.328 0.585 . . . . 73.44 110.868 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.12 130.64 71.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.303 -0.862 . . . . 61.34 109.737 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.5 m -113.18 116.12 29.32 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.545 -0.752 . . . . 72.15 109.678 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.7 mt -98.09 140.78 17.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.431 . . . . 74.25 109.878 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 23.8 m-85 -123.08 133.6 54.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.927 -0.579 . . . . 74.42 109.457 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -159.84 -176.81 5.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.723 0.297 . . . . 72.12 111.02 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.38 -25.55 20.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 64.55 110.989 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -130.5 154.27 47.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 72.33 111.092 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 31.8 ttpt -65.18 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.448 -0.575 . . . . 73.42 109.448 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.46 -44.68 80.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.336 -0.847 . . . . 63.33 110.658 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.77 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 64.02 110.639 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.669 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.3 mp -57.58 -53.14 61.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.085 -0.507 . . . . 54.32 110.393 174.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' OE1' ' HE3' ' A' ' 24' ' ' LYS . 47.4 mt-10 -61.4 -39.26 90.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.652 -0.703 . . . . 74.21 111.403 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.554 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m -67.09 -51.2 57.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.401 -0.363 . . . . 71.45 111.089 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -60.77 -40.91 94.28 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.984 0.421 . . . . 74.13 110.762 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 35' ' ' ILE . 22.5 tp -55.36 -49.02 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.647 -0.706 . . . . 72.11 110.427 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.07 66.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.617 -0.719 . . . . 65.34 111.801 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' SER . 68.0 mmtt -70.28 -40.11 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.116 0.484 . . . . 71.02 110.012 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -74.97 -32.49 61.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.574 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 31' ' ' LEU . 77.0 mt -62.71 -39.2 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.22 110.042 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.53 -46.14 91.19 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 116.253 -0.43 . . . . 75.41 110.132 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 81' ' ' LEU . 60.3 mt -55.16 -43.04 73.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 71.4 110.784 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.16 75.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.047 -0.524 . . . . 51.31 110.701 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -71.85 -23.51 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 75.23 111.339 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 t -76.17 -28.93 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 73.54 110.552 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.22 -38.28 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 65.55 111.467 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.679 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 1.8 p -145.52 145.76 31.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.176 0.512 . . . . 65.53 111.245 -173.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.15 14.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.513 -0.767 . . . . 73.02 110.76 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.16 29.11 5.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.103 -0.57 . . . . 70.11 112.842 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.2 p -91.81 132.38 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.971 0.415 . . . . 54.33 110.946 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.83 147.21 44.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.591 -0.892 . . . . 52.41 108.591 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' C ' HD22 ' A' ' 48' ' ' ASN . 12.6 p90 -137.15 141.75 42.23 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.706 0.765 . . . . 73.01 112.418 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -111.63 169.73 8.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.848 -1.069 . . . . 71.31 109.662 175.399 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.25 151.35 12.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.957 -0.565 . . . . 73.11 110.258 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -69.66 177.94 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 65.31 110.577 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -82.86 134.23 35.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.851 0.358 . . . . 73.13 110.274 179.24 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 6.5 mp -90.02 124.4 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.45 110.189 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p -125.84 -168.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 73.45 110.522 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.42 -41.2 80.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.06 0.457 . . . . 63.21 110.677 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -112.49 19.75 17.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.537 -0.756 . . . . 74.23 112.091 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -68.81 101.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.263 0.554 . . . . 43.02 111.229 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -104.79 6.43 33.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.446 -0.797 . . . . 72.54 109.897 175.659 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.677 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 47.6 mt-10 -142.56 140.39 31.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.077 -0.965 . . . . 64.32 109.666 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.669 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.9 pt? -148.02 145.66 28.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.954 0.407 . . . . 72.45 109.967 172.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 55.1 m -111.0 113.08 25.37 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.77 -0.65 . . . . 55.51 110.494 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.12 115.61 30.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.973 -0.558 . . . . 75.51 109.587 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.915 ' HG3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -100.78 115.53 30.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.934 -0.395 . . . . 74.32 109.934 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.3 m-85 -100.87 118.15 36.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 73.14 110.477 -176.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.581 ' HB2' HG21 ' A' ' 8' ' ' ILE . 13.7 tmtt? -101.7 107.66 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.312 -0.625 . . . . 73.22 109.312 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 78.3 m-85 -82.87 -172.93 4.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.755 . . . . 75.42 110.011 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -101.75 -42.95 5.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 120.785 0.326 . . . . 64.12 110.307 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.62 163.17 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 53.42 110.501 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -66.93 -26.54 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 60.53 111.815 -176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.9 72.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.503 . . . . 74.13 110.721 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.14 -41.51 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.318 0.58 . . . . 71.42 110.316 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 13.0 tmtt? -58.42 -55.9 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.813 -1.085 . . . . 71.23 110.616 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.18 -42.75 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.286 -0.87 . . . . 75.34 111.591 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 76' ' ' LEU . 76.5 mt -61.26 -39.06 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 73.42 110.975 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.42 -42.45 98.76 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.116 0.484 . . . . 70.01 110.272 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 35.4 mt-10 -68.69 -31.28 70.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 65.52 111.423 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 73' ' ' ILE . 90.2 mt -69.03 -48.84 61.91 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 120.924 0.392 . . . . 70.13 110.744 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 81' ' ' LEU . 68.3 mttm -61.5 -47.45 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 71.41 111.397 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.561 -0.29 . . . . 64.45 111.771 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 21.1 mtm180 -66.23 -43.98 85.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.691 0.256 . . . . 75.42 111.691 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.1 t -88.94 -34.48 16.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.599 0.238 . . . . 45.21 111.517 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.6 tp -72.98 -42.07 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 63.32 110.424 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.67 85.95 2.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.969 -0.559 . . . . 62.34 109.501 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -72.61 110.06 6.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.525 -0.761 . . . . 72.12 109.54 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -86.65 69.82 10.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.645 -1.161 . . . . 73.32 109.759 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 62.78 -128.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.332 -1.304 . . . . 75.1 110.156 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -142.66 86.65 1.95 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.527 0.68 . . . . 65.11 111.254 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -87.36 112.7 22.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.874 . . . . 71.24 108.639 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -75.27 93.97 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.924 0.869 . . . . 74.35 111.574 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -76.49 108.06 9.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.691 -1.141 . . . . 70.02 108.589 172.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.81 159.35 21.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 75.03 110.361 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 m80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.121 -0.942 . . . . 74.23 109.13 178.206 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.883 0.373 . . . . 74.23 110.262 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.739 ' HA3' ' HB3' ' A' ' 16' ' ' ASP . . . -91.95 -134.92 6.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.823 -0.704 . . . . 71.31 112.333 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.58 138.44 46.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.099 0.476 . . . . 73.43 111.08 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.8 pt -97.69 165.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.744 -0.662 . . . . 65.34 110.938 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.07 26.35 8.42 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.587 -0.816 . . . . 74.1 111.725 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -120.54 -172.36 2.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.666 -0.494 . . . . 73.31 109.666 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.613 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.4 mt -57.09 -56.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.94 0.4 . . . . 72.14 110.762 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.5 mt -93.92 137.07 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.338 -0.392 . . . . 73.11 109.955 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -87.53 -175.76 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.904 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.72 171.42 15.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.611 0.719 . . . . 73.12 112.097 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.02 167.91 20.36 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.237 -1.145 . . . . 63.42 110.237 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 68' ' ' SER . 34.7 t70 -75.14 -19.19 60.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.867 0.833 . . . . 74.23 110.302 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -87.42 -7.03 58.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.815 -0.63 . . . . 74.41 110.087 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.21 121.01 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.909 -0.587 . . . . 74.34 110.669 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.47 104.34 13.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.35 -0.386 . . . . 72.21 110.112 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.739 ' HB3' ' HA3' ' A' ' 2' ' ' GLY . 28.1 t70 -88.97 130.81 35.39 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.312 0.577 . . . . 40.04 109.75 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.1 139.61 45.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 114.995 -1.002 . . . . 61.44 110.534 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -112.97 112.29 23.64 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.883 -0.599 . . . . 54.42 109.925 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' HB ' HD21 ' A' ' 59' ' ' LEU . 34.3 mt -98.17 145.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.412 -0.588 . . . . 61.03 109.412 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.38 151.84 46.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.849 0.357 . . . . 60.14 111.215 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -172.69 172.49 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.778 -0.823 . . . . 75.55 108.778 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -80.2 -25.23 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.572 0.582 . . . . 74.53 112.572 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -126.76 147.85 49.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 65.12 111.84 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 53' ' ' THR . 59.5 tttm -56.09 -42.08 76.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.611 -0.722 . . . . 63.22 110.364 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.95 -44.63 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 70.25 111.207 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.84 96.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.139 -0.482 . . . . 72.1 110.736 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.659 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.2 mp -54.94 -54.15 46.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.214 0.531 . . . . 63.41 110.218 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.88 -41.95 98.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.237 -0.892 . . . . 75.1 111.714 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.3 m -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 62.21 111.497 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 34.1 tt0 -73.8 -42.71 60.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.899 0.38 . . . . 64.45 110.026 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 35' ' ' ILE . 26.2 tp -53.09 -46.07 68.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.63 -0.714 . . . . 70.24 110.667 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.18 65.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 41.23 111.59 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.6 mmtt -74.93 -35.55 62.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.699 0.285 . . . . 63.44 111.124 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 8.3 m-85 -67.29 -38.58 85.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.884 -0.413 . . . . 70.33 109.884 173.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -65.74 -38.68 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.24 -0.437 . . . . 65.33 110.186 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.4 -48.41 81.85 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.012 -0.54 . . . . 73.53 110.136 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD22 ' HD3' ' A' ' 77' ' ' LYS . 77.7 mt -63.79 -33.42 75.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.717 . . . . 74.41 110.587 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.1 -46.25 81.83 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.1 -0.5 . . . . 55.33 110.859 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.8 -30.84 71.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 70.34 111.129 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t -72.43 -27.58 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 54.44 110.286 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -94.77 -43.44 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.213 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.4 t -139.94 122.1 15.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.989 0.423 . . . . 50.01 110.641 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.56 58.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.471 . . . . 64.41 110.817 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.63 49.82 0.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.789 -0.719 . . . . 64.31 112.078 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 38' ' ' ALA . 6.6 p -90.55 118.73 36.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.3 0.571 . . . . 73.23 111.123 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.51 133.18 34.22 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.517 -0.549 . . . . 74.22 109.517 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 24.9 p90 -143.47 140.03 30.16 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.515 0.674 . . . . 52.5 112.286 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 12.1 m120 -110.43 167.36 10.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.996 -1.113 . . . . 74.22 107.996 173.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.25 159.49 3.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.902 -0.407 . . . . 63.22 109.902 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 m -67.7 170.6 7.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.858 -0.423 . . . . 72.14 109.858 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.04 133.22 34.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.059 0.457 . . . . 73.14 109.933 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.4 mt -89.9 138.2 31.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.111 -0.495 . . . . 72.01 110.666 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 23.1 p -129.1 178.93 6.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.837 -0.62 . . . . 74.11 109.513 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -55.83 -41.73 74.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.721 0.296 . . . . 54.42 111.757 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -122.25 36.39 4.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.106 0.41 . . . . 61.34 112.106 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 p -69.28 112.45 5.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.897 -0.721 . . . . 54.35 109.25 170.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -94.94 3.98 54.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 64.53 110.438 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -146.39 148.47 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 60.44 110.725 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.577 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.2 pt? -151.35 132.32 14.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.384 0.611 . . . . 74.41 109.728 170.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.427 HG22 HH21 ' A' ' 62' ' ' ARG . 18.4 m -107.08 115.48 30.26 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.363 -0.835 . . . . 74.54 109.905 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -120.96 129.24 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.863 -0.608 . . . . 73.31 110.555 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -107.33 117.29 33.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.442 . . . . 74.11 110.826 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.07 106.94 18.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.585 -0.734 . . . . 64.41 110.341 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 65' ' ' PHE . 10.7 tmtt? -93.6 119.7 32.96 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.576 -0.527 . . . . 73.21 109.576 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' HE2' ' A' ' 64' ' ' LYS . 86.3 m-85 -99.15 173.68 6.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.842 -0.617 . . . . 72.14 110.282 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -81.17 -36.66 29.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 72.55 110.459 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 35.6 m -129.17 155.76 41.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.096 -0.502 . . . . 61.31 110.042 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.424 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 1.4 m -65.51 -20.88 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 53.13 111.044 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.95 85.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.765 -0.652 . . . . 74.14 111.161 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 86.0 mt-10 -62.13 -33.68 74.94 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.022 0.439 . . . . 63.04 110.277 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -58.83 -54.24 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.731 . . . . 75.24 110.19 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 95.3 mt -57.27 -45.27 84.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.988 -1.005 . . . . 72.55 111.362 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.9 mt -60.03 -38.57 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.83 0.347 . . . . 73.42 110.891 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.32 -46.81 78.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.374 -0.375 . . . . 73.42 110.261 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.93 -30.96 71.25 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.028 -0.533 . . . . 62.54 111.072 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 63.7 mt -66.64 -41.63 87.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.021 0.439 . . . . 74.44 110.764 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.497 ' HD3' HD22 ' A' ' 37' ' ' LEU . 53.9 mttp -71.41 -40.5 70.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 62.1 111.217 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 p -63.68 -35.51 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.098 -0.241 . . . . 72.3 110.966 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -57.36 -44.54 84.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.859 0.361 . . . . 72.03 111.765 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 m -80.35 -34.75 36.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 112.629 0.603 . . . . 22.25 112.629 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp -80.05 -39.6 29.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.328 0.585 . . . . 32.04 110.338 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.95 85.88 2.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 72.43 110.221 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -56.94 118.42 4.94 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.23 -0.895 . . . . 74.45 110.646 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.56 21.26 2.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.672 0.749 . . . . 71.33 110.385 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.8 154.52 17.23 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.636 -1.166 . . . . 71.03 109.915 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -120.74 -9.57 9.31 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.306 -0.998 . . . . 71.42 108.306 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -92.91 175.9 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.586 -1.188 . . . . 64.44 109.855 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -83.44 -26.72 30.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.499 -0.319 . . . . 72.54 111.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.7 t60 71.8 138.09 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.7 0.625 . . . . 70.42 111.094 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -135.41 169.98 16.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.284 -0.416 . . . . 73.42 109.889 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.639 -0.696 . . . . 74.23 109.907 177.251 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.802 0.334 . . . . 74.13 110.587 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.0 166.36 16.46 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.191 -0.528 . . . . 41.45 112.008 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.78 161.73 13.9 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.5 -0.555 . . . . 73.53 109.5 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.0 164.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 72.42 109.671 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.03 -57.62 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.751 . . . . 64.22 112.735 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 53.43 -171.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.669 0.787 . . . . 72.42 112.989 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.432 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 58.6 mt -79.07 -59.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.461 -0.79 . . . . 75.21 110.727 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.569 HD13 ' HB2' ' A' ' 64' ' ' LYS . 81.9 mt -89.58 131.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 64.23 110.365 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -84.56 166.75 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 74.15 111.3 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.24 172.72 8.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 75.43 111.933 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.6 -145.64 9.18 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.697 -0.683 . . . . 63.53 111.503 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -118.34 -8.62 10.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.358 0.599 . . . . 72.43 110.007 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.6 -0.98 23.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.275 -0.875 . . . . 73.53 109.26 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -115.56 135.46 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 63.43 110.24 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.658 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -134.22 134.64 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.758 -0.46 . . . . 72.44 109.758 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -106.69 141.54 37.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.98 0.419 . . . . 71.4 110.687 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.53 125.41 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.694 -0.685 . . . . 71.33 110.045 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -108.93 110.87 22.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.413 -0.812 . . . . 52.53 109.59 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.3 mt -99.16 142.77 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.091 -0.504 . . . . 65.13 110.718 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.85 138.95 54.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.532 -0.758 . . . . 75.3 109.011 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.4 173.1 11.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.862 0.363 . . . . 62.32 111.138 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.76 -42.21 67.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.771 -0.649 . . . . 72.02 110.541 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -131.8 165.61 23.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 61.42 110.936 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.69 -45.36 85.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.61 -0.723 . . . . 71.24 110.789 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.55 -39.56 91.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 71.14 110.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.67 88.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 63.31 110.448 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.9 tp -57.59 -50.0 74.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.621 -0.718 . . . . 64.14 109.67 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.87 -40.66 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.834 -1.075 . . . . 73.0 111.454 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -63.13 -47.62 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 71.23 111.17 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -35.4 74.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.357 -0.383 . . . . 74.41 110.782 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -55.96 -50.53 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 74.23 110.343 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.22 63.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.138 -0.937 . . . . 71.45 111.531 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.14 -41.84 81.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.64 0.257 . . . . 72.15 110.628 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -68.63 -38.78 80.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 71.33 110.77 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.22 -43.37 96.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.162 0.506 . . . . 75.54 110.244 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 73.11 110.881 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.27 -38.17 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.766 -0.652 . . . . 75.22 110.25 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.71 65.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 73.34 111.198 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -69.92 -22.54 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.33 111.337 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t -73.58 -24.43 60.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.135 -0.484 . . . . 44.23 109.842 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -95.07 -47.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 31.55 110.941 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.646 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 6.3 p -134.47 134.1 41.14 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.076 0.465 . . . . 73.34 110.988 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 -24.4 21.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.673 -0.694 . . . . 73.33 110.283 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 50.02 1.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.949 -0.569 . . . . 70.31 111.871 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.646 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.5 p -104.66 132.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 65.22 111.445 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -104.65 134.14 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.884 -0.784 . . . . 74.45 108.884 171.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 20.6 p90 -130.67 138.72 50.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.514 0.673 . . . . 64.43 112.141 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.432 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 8.3 m120 -107.93 154.77 21.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.077 -0.965 . . . . 74.54 108.879 174.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.95 136.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 108.512 -0.921 . . . . 62.3 108.512 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.18 176.27 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.055 0.455 . . . . 61.42 111.021 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.65 139.47 37.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.936 -0.575 . . . . 62.33 110.253 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.43 145.02 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -130.42 -169.02 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.072 -0.344 . . . . 73.11 110.072 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.41 -38.44 89.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.993 0.425 . . . . 55.3 111.225 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -121.52 29.61 7.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.477 -0.329 . . . . 65.52 111.813 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' O ' HD22 ' A' ' 27' ' ' LEU . 1.7 p -65.97 98.29 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.208 0.528 . . . . 74.42 110.664 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -97.21 5.01 50.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.216 -0.902 . . . . 74.04 109.854 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -146.4 150.26 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 64.44 110.201 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.8 pt? -155.45 154.24 31.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.438 -0.579 . . . . 75.2 109.438 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 m -115.79 117.12 29.33 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.322 -0.399 . . . . 74.11 110.335 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.01 121.08 43.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.619 . . . . 70.53 110.591 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 tpp85 -100.47 115.38 29.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.849 -0.614 . . . . 70.44 109.796 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.69 119.0 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 61.14 111.44 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -102.14 103.48 14.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.761 -0.829 . . . . 74.24 108.761 176.717 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -84.82 160.25 20.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.637 -0.505 . . . . 74.45 109.637 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -55.29 10.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.477 -0.329 . . . . 53.31 110.266 -175.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.27 161.09 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.304 . . . . 52.33 110.88 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.0 m -62.18 -29.68 70.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 71.34 111.651 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.19 -43.06 99.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 54.41 111.223 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.63 -33.52 76.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 70.32 110.586 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.658 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -60.98 -52.82 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.511 -0.768 . . . . 74.43 109.624 176.579 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -58.05 -38.83 77.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.642 -1.163 . . . . 71.33 111.605 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.9 mt -60.89 -46.74 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.774 0.321 . . . . 73.32 110.986 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -58.8 -41.2 86.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.33 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 51.8 mt-10 -67.04 -42.8 84.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.811 -0.631 . . . . 71.14 110.83 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -58.42 -40.3 82.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 120.956 0.408 . . . . 61.4 110.943 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 50.5 mtpt -71.92 -36.49 69.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 74.24 111.317 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 4.6 p -75.97 -20.57 57.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.902 0.334 . . . . 64.34 111.902 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 7.4 mmp_? -57.28 -54.63 44.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.052 0.453 . . . . 70.22 110.528 176.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -74.62 -15.33 60.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.693 -0.685 . . . . 33.24 111.505 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 13.7 tp -79.89 -42.15 24.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 121.047 0.451 . . . . 74.35 110.663 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 11.82 9.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 75.03 111.845 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -68.99 -38.52 79.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.079 -0.509 . . . . 72.32 110.872 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.52 -30.83 61.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.395 0.616 . . . . 74.54 111.038 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -48.79 63.36 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.646 -1.161 . . . . 61.24 110.195 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -82.36 43.14 0.79 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.008 -0.997 . . . . 74.11 110.531 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -153.77 -50.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.574 -1.194 . . . . 72.15 108.574 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 -71.25 0.12 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.694 -1.139 . . . . 74.14 110.847 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -71.78 119.09 15.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.833 -0.803 . . . . 71.4 108.833 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -148.85 168.09 23.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.778 0.323 . . . . 65.53 111.212 -171.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.543 -0.741 . . . . 71.43 110.247 175.912 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.628 0.251 . . . . 72.32 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.34 -76.29 0.18 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.275 -0.73 . . . . 60.21 111.275 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -92.93 140.71 29.2 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.244 -0.65 . . . . 72.11 109.244 172.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.12 154.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.961 0.41 . . . . 74.52 110.281 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.89 75.5 0.35 Allowed Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.792 -0.64 . . . . 71.41 111.996 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 97.1 m-85 -71.0 -175.51 1.16 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.416 -0.392 . . . . 75.31 110.815 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.0 -54.1 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 64.55 110.282 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 64' ' ' LYS . 91.5 mt -80.09 134.17 28.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.644 -0.707 . . . . 71.34 110.037 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 45.1 mtmt -82.29 173.77 11.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.85 -0.614 . . . . 61.44 111.061 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 168.81 9.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.942 -0.572 . . . . 55.22 110.412 172.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.05 171.35 31.18 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.59 -0.814 . . . . 34.22 112.611 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.11 -35.65 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.536 0.684 . . . . 71.13 110.918 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.64 13.29 28.79 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.082 -0.963 . . . . 72.44 110.981 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.95 133.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 51.5 110.8 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.36 113.69 7.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.381 -0.372 . . . . 40.41 110.151 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.595 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 3.4 p30 -98.05 133.9 41.89 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.532 0.682 . . . . 71.35 110.742 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.46 135.53 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.056 -0.975 . . . . 54.25 109.731 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 73.8 m -102.44 126.78 49.58 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.704 -0.68 . . . . 61.31 110.113 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.622 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 57.3 mt -98.82 142.8 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.28 -0.873 . . . . 74.12 110.052 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.13 134.52 47.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.934 -0.575 . . . . 73.25 109.936 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -161.81 -175.35 4.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.609 -0.723 . . . . 60.11 109.972 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.96 -34.21 20.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 111.779 0.289 . . . . 60.42 111.779 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -134.92 162.22 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.831 0.308 . . . . 75.42 111.831 -173.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 52' ' ' LEU . 79.1 tttt -54.61 -43.67 72.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.701 -0.681 . . . . 61.02 110.292 172.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -53.46 -49.23 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.903 -1.044 . . . . 75.42 111.196 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.02 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.494 . . . . 42.44 110.603 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.1 mp -55.2 -51.08 67.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.016 -0.538 . . . . 73.31 110.682 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -59.92 -38.98 83.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.945 -0.57 . . . . 54.52 111.333 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 m -63.9 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.078 0.466 . . . . 54.21 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.57 -36.8 73.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.968 -0.56 . . . . 64.33 111.342 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.74 -46.72 86.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 74.02 110.026 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.74 69.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.269 -0.878 . . . . 53.11 111.383 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -65.01 -45.94 83.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.811 0.338 . . . . 72.12 111.076 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.32 -43.71 93.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.591 . . . . 74.24 111.371 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.74 -41.53 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 75.43 110.325 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -46.14 89.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 75.21 110.384 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -58.97 -37.83 77.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.737 -0.665 . . . . 72.44 110.707 177.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.43 -46.11 64.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 43.25 110.621 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 98.6 mttt -67.47 -25.96 66.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 74.23 111.117 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -70.55 -24.94 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.52 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -94.25 -39.44 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.023 0.439 . . . . 73.23 110.414 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 3.5 p -145.96 129.17 16.68 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.123 -0.49 . . . . 72.45 110.998 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.1 -15.17 36.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.014 0.435 . . . . 42.24 110.585 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.35 34.72 5.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.942 -0.646 . . . . 62.41 111.984 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -85.01 135.16 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.066 0.46 . . . . 61.02 111.083 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -104.55 124.77 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.904 -0.776 . . . . 74.25 108.904 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -136.87 147.01 46.23 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.295 0.569 . . . . 63.0 111.832 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -121.36 155.73 34.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.266 -0.879 . . . . 72.13 109.062 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 50' ' ' SER . 48.5 t -147.09 141.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.442 -0.799 . . . . 74.42 108.891 -176.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.8 m -66.41 165.46 14.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 63.1 109.609 173.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.04 133.03 34.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.577 -0.527 . . . . 63.25 109.577 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB3' ' HG3' ' A' ' 24' ' ' LYS . 6.1 mp -94.49 133.39 38.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.725 -0.671 . . . . 65.22 110.886 -172.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 11.3 p -124.59 174.26 7.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.803 -0.635 . . . . 72.23 109.559 172.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.03 -31.92 61.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.079 0.466 . . . . 73.22 111.85 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.1 -4.65 58.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.699 -0.682 . . . . 74.32 112.372 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -75.88 116.21 16.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.071 0.462 . . . . 54.52 110.746 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -109.44 1.91 20.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.343 0.592 . . . . 55.32 109.661 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.56 154.07 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.152 -0.931 . . . . 73.03 110.119 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.636 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.0 152.86 23.27 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.602 -0.518 . . . . 71.51 109.602 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.448 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 42.0 m -114.52 119.81 38.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.098 0.475 . . . . 70.12 110.476 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.52 28.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.841 -0.618 . . . . 50.44 109.686 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.595 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 37.1 ttm180 -92.62 116.18 28.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.396 -0.365 . . . . 74.23 110.485 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.01 119.37 38.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 71.55 110.294 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.501 ' HB2' HG21 ' A' ' 8' ' ' ILE . 14.4 tmtt? -107.11 116.07 31.28 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.118 -0.697 . . . . 75.32 109.118 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -98.69 -176.78 3.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.664 -0.698 . . . . 61.1 110.664 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.07 -41.22 12.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 61.1 109.954 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 164.09 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 75.32 110.568 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.7 m -67.82 -23.64 65.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 72.21 111.2 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.97 -48.38 82.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.0 -0.545 . . . . 54.04 110.796 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.49 -40.59 91.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.092 0.472 . . . . 61.12 110.237 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 3.0 tmmm? -56.42 -53.23 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.975 . . . . 60.03 109.722 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.61 -48.57 81.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.894 -1.048 . . . . 72.35 111.76 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.7 mt -61.63 -42.9 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.623 -0.262 . . . . 70.12 111.557 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.88 -44.64 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 65.5 110.136 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.717 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 25.6 mm-40 -63.59 -40.59 97.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.779 -0.646 . . . . 60.43 111.566 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.98 -40.71 96.99 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.773 0.321 . . . . 73.3 111.173 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.72 -43.05 85.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.44 111.242 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 22.3 p -66.44 -23.82 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 71.3 111.96 -175.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 16.7 mmt85 -58.6 -44.39 89.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.002 0.429 . . . . 73.01 110.616 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 m -84.24 -28.96 26.88 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.089 -0.505 . . . . 74.33 111.301 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 12.0 tp -72.09 -40.28 68.33 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.155 0.502 . . . . 41.24 110.86 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 87' ' ' HIS . . . -83.3 14.58 3.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.047 -0.524 . . . . 51.42 111.348 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -76.61 -31.16 57.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.589 . . . . 73.21 109.613 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -94.67 -7.91 39.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.721 0.772 . . . . 72.44 110.511 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.58 -170.88 1.75 Allowed 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.252 -1.34 . . . . 71.21 108.93 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -114.95 88.98 2.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.998 0.427 . . . . 74.11 110.337 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.76 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 89.3 m-70 -147.42 119.43 8.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.256 -0.429 . . . . 75.52 110.453 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -123.95 107.52 11.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.148 0.499 . . . . 72.13 110.056 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.85 105.96 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.66 -0.7 . . . . 61.24 111.208 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -99.57 100.09 11.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.235 -1.024 . . . . 74.32 108.235 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.371 -0.823 . . . . 74.01 109.913 -173.62 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 121.048 0.451 . . . . 71.14 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.22 65.98 0.58 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.753 -0.737 . . . . 71.32 111.632 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.7 114.8 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.832 0.349 . . . . 62.4 110.972 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 mm -86.19 163.68 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 72.3 109.296 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.37 52.61 4.76 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.215 -0.517 . . . . 64.34 113.568 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -123.82 157.94 32.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.89 0.376 . . . . 75.14 110.151 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.4 mt -79.64 -36.22 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.524 . . . . 71.03 110.28 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -84.64 120.34 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.157 -0.474 . . . . 72.42 110.708 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' HG11 ' A' ' 14' ' ' VAL . 4.2 ttmp? -82.81 161.39 22.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.542 -0.754 . . . . 61.41 110.32 -178.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.08 170.43 9.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.73 0.412 . . . . 73.04 111.04 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.58 -174.73 42.66 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.803 -0.713 . . . . 70.45 112.142 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.01 -15.6 58.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.997 0.427 . . . . 74.52 110.676 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.71 14.04 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 74.51 110.418 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' ' 9' ' ' LYS . 47.4 t -130.07 138.27 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.793 -0.64 . . . . 74.44 111.027 -177.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.697 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -156.74 140.74 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.742 -0.466 . . . . 61.11 109.742 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.722 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 18.1 p30 -107.35 150.26 26.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.417 0.627 . . . . 62.44 110.818 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 t -121.27 133.11 68.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.374 -0.83 . . . . 50.42 109.528 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -104.93 110.79 23.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.463 -0.79 . . . . 72.44 109.555 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' HD21 ' A' ' 59' ' ' LEU . 22.4 mt -99.0 143.62 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.515 . . . . 62.33 110.613 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -128.46 140.6 51.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.684 -0.689 . . . . 74.33 109.351 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.765 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -155.53 -179.43 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.682 0.277 . . . . 74.12 111.069 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.84 -42.56 90.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 62.01 111.772 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.504 ' H ' ' HB3' ' A' ' 26' ' ' ALA . 24.3 p -146.18 169.74 18.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 72.43 111.796 -171.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -48.91 -50.81 33.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.509 -0.769 . . . . 62.32 111.086 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.05 -45.49 86.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.436 -0.802 . . . . 72.23 110.834 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 23' ' ' THR . . . -63.19 -37.77 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 62.42 111.101 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.7 mp -56.38 -53.94 51.47 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.118 -0.492 . . . . 71.12 110.127 174.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.37 -33.69 76.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 65.45 111.947 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -64.56 -46.59 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 53.01 110.959 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -71.47 -39.25 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 73.31 110.163 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.76 -45.41 85.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.729 -0.669 . . . . 75.44 110.434 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.53 -41.23 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.251 -0.886 . . . . 72.24 111.01 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.76 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 63.43 111.143 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.03 -36.43 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.46 -0.336 . . . . 73.12 110.681 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 72.3 mt -64.95 -40.99 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.22 0.533 . . . . 71.12 109.81 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -61.81 -43.3 99.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.108 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 64.05 109.954 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.07 76.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 51.34 110.701 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 4.1 mptp? -64.32 -28.83 69.98 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.241 -0.436 . . . . 70.42 110.757 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -68.82 -33.8 74.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.954 -0.566 . . . . 73.44 110.262 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -86.85 -43.35 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 73.1 111.335 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -148.4 137.0 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.098 0.475 . . . . 41.24 110.517 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.49 -10.06 56.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.982 -0.554 . . . . 62.41 110.788 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.09 34.59 4.77 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.948 -0.644 . . . . 64.41 112.098 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.58 126.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.323 0.582 . . . . 72.45 111.307 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.13 132.8 46.42 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.142 -0.688 . . . . 71.33 109.142 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 18.6 p90 -144.34 142.21 30.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.846 0.684 . . . . 72.41 112.846 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.99 160.74 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.853 -1.067 . . . . 65.55 108.125 170.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -145.52 137.97 20.74 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 109.322 -0.621 . . . . 63.2 109.322 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.92 147.07 30.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.912 -0.773 . . . . 54.53 108.912 173.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.05 146.1 30.8 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.484 -0.486 . . . . 62.24 110.073 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 149.78 29.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.783 -0.644 . . . . 74.35 110.883 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.65 -165.95 1.11 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.441 -0.8 . . . . 73.1 109.258 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.69 -53.92 19.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.908 -0.317 . . . . 72.21 111.14 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -109.52 28.25 8.73 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 72.42 111.866 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -65.02 120.28 12.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.293 0.568 . . . . 51.45 110.774 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -119.79 8.55 11.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.112 -0.949 . . . . 72.51 108.663 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.9 142.66 30.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.182 -1.372 . . . . 75.02 109.868 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.4 pt? -146.16 152.97 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.775 0.322 . . . . 73.51 110.136 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 m -116.99 115.52 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.356 -0.383 . . . . 71.34 110.695 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.16 114.84 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.998 -0.547 . . . . 52.42 110.708 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.722 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 22.1 tpp85 -92.96 115.4 28.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.915 -0.584 . . . . 71.32 109.782 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.35 138.12 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 73.25 111.486 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -129.21 133.58 47.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.661 -0.699 . . . . 71.42 109.85 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -109.37 -177.96 3.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 73.34 110.332 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.88 -52.1 8.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.502 . . . . 73.42 110.022 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.1 m -115.83 155.99 17.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.252 -0.431 . . . . 53.51 110.592 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -27.16 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 64.23 111.435 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -63.07 -45.1 93.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 72.51 110.911 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 56.7 mt-10 -60.09 -36.97 78.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.155 0.502 . . . . 71.24 110.748 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -62.14 -53.68 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 74.41 109.652 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 92.3 mt -60.35 -43.12 96.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.185 -0.916 . . . . 72.04 111.525 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 69' ' ' ALA . 35.3 mm -60.91 -40.91 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 71.11 110.975 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 75.5 110.084 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.93 -39.54 94.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 62.12 110.791 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 82.4 mt -66.94 -43.97 81.81 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.079 -0.51 . . . . 33.24 111.506 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.74 -34.68 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.433 -0.349 . . . . 75.15 111.753 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 p -68.6 -29.16 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.943 -0.303 . . . . 74.35 110.795 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.9 mmt180 -59.58 -43.69 93.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.874 0.369 . . . . 72.24 111.102 175.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 m -76.06 -17.81 59.48 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.104 -0.498 . . . . 52.12 111.544 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.45 -40.29 11.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.385 0.612 . . . . 50.31 110.458 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.91 28.66 7.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.723 -0.671 . . . . 72.41 111.075 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 83' ' ' ARG . 41.9 ttp180 -68.09 -18.01 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.347 0.594 . . . . 64.12 110.137 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.7 51.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 44.13 109.734 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -84.3 -166.78 1.54 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.305 -0.862 . . . . 50.04 111.831 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -120.15 5.93 10.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.581 -0.736 . . . . 64.12 110.681 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.55 -173.48 3.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.517 -0.31 . . . . 43.32 110.987 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 71.68 -59.81 0.54 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 73.53 112.039 173.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 72.63 -45.73 0.63 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.779 0.831 . . . . 74.13 110.335 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -82.18 135.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.022 -0.732 . . . . 64.14 109.022 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.7 m80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.805 -1.093 . . . . 72.2 110.856 177.401 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.795 0.331 . . . . 62.1 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.48 -95.2 1.09 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.92 -0.657 . . . . 41.21 111.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -129.71 129.77 44.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.744 -0.465 . . . . 71.42 109.744 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mt -107.8 154.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.149 0.499 . . . . 62.4 110.21 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.07 47.3 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.91 -1.276 . . . . 44.44 109.91 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -113.18 165.95 11.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.945 -0.627 . . . . 73.42 110.982 -172.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.0 -50.92 78.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.704 -0.68 . . . . 72.44 110.709 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.2 132.06 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 72.53 110.624 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -80.49 -175.86 5.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.657 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.89 177.24 8.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.964 0.411 . . . . 72.41 110.853 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.41 166.44 24.4 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.95 -0.643 . . . . 71.01 111.703 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.95 -14.42 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.066 0.46 . . . . 73.5 110.204 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -96.96 -4.67 39.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.515 0.674 . . . . 61.42 109.489 176.138 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -93.83 123.65 46.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 75.44 110.269 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 65' ' ' PHE . . . -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 35.45 110.261 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -88.42 129.38 35.44 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.177 -0.675 . . . . 73.3 109.177 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.94 138.58 53.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 121.297 0.57 . . . . 62.31 110.114 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 m -124.78 110.21 14.05 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.762 -0.653 . . . . 75.3 109.465 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -98.4 136.49 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.199 -0.667 . . . . 63.32 109.199 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -135.03 139.7 45.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.029 0.442 . . . . 74.13 111.34 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -166.64 170.01 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.176 -0.92 . . . . 54.32 108.784 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 67.9 mm-40 -86.28 -12.05 50.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.751 0.648 . . . . 74.14 112.751 -174.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.8 p -123.72 143.35 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.957 -0.297 . . . . 71.43 110.57 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.17 -35.21 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.37 0.605 . . . . 65.55 109.403 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.748 -1.114 . . . . 75.4 111.035 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.26 96.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.723 0.296 . . . . 40.4 110.601 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.3 mp -55.12 -48.95 72.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 73.31 110.359 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.75 -29.32 69.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.68 . . . . 72.23 111.697 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.7 m -77.19 -50.3 13.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 63.01 111.089 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -64.65 -38.6 91.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.279 -0.419 . . . . 53.21 111.054 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.0 -45.46 82.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.108 0.48 . . . . 71.41 110.419 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.96 -38.79 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.199 -0.909 . . . . 54.12 111.228 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.71 -38.93 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 75.11 111.354 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 59.0 m-85 -68.63 -38.64 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.453 -0.34 . . . . 72.54 110.392 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.04 -40.76 90.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 65.45 109.991 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -57.9 -48.88 78.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.742 -0.663 . . . . 63.3 111.1 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.47 -26.73 63.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.73 -0.668 . . . . 63.23 111.355 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.43 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 45.51 110.379 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 46.6 mtmt -64.28 -29.82 70.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.688 -0.687 . . . . 75.23 110.028 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -61.53 -34.77 76.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.202 -0.908 . . . . 74.42 110.417 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.57 -53.98 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.937 -0.574 . . . . 65.5 110.23 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 10.4 p -143.07 141.17 31.2 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.083 0.468 . . . . 51.43 110.713 -174.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.47 -25.17 22.75 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.694 -0.684 . . . . 72.04 110.091 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.83 44.62 2.53 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.743 -0.662 . . . . 73.21 112.366 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -98.16 122.82 50.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.018 0.437 . . . . 75.2 110.665 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.3 135.38 36.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.257 -0.646 . . . . 73.11 109.257 175.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 38.3 p90 -143.17 145.28 32.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.838 0.827 . . . . 63.04 112.325 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.94 167.12 12.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.759 -1.109 . . . . 75.31 108.337 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.78 152.83 5.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.932 -0.396 . . . . 65.54 109.932 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.74 161.64 27.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.7 -0.481 . . . . 60.21 109.7 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.64 133.16 34.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.072 0.463 . . . . 52.32 109.773 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.2 mm? -69.37 117.83 11.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 75.14 110.811 -177.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 p -91.09 -170.68 2.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.759 -0.655 . . . . 70.12 109.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.7 -34.01 64.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.864 0.32 . . . . 74.43 111.864 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -131.98 39.0 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.891 0.33 . . . . 73.03 111.891 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -65.97 113.84 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 51.05 110.359 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 35.1 mmtp -84.06 -21.31 31.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 73.14 109.839 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.24 145.88 30.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.431 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 59' ' ' LEU . 2.4 pt? -131.55 146.8 52.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.802 -0.635 . . . . 73.22 109.398 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -106.93 124.72 50.03 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.073 -0.512 . . . . 74.34 110.445 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.13 138.39 53.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.839 -0.619 . . . . 61.2 110.074 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 32.5 ttm180 -117.11 115.41 25.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.24 -0.436 . . . . 72.4 110.177 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -105.36 114.27 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 72.43 110.959 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -95.35 105.96 17.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 64.32 109.954 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 95.2 m-85 -88.22 169.91 11.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.271 -0.422 . . . . 74.01 110.191 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.06 -56.91 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.323 0.582 . . . . 75.11 109.958 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 70' ' ' GLU . 26.6 m -133.56 171.59 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.513 -0.767 . . . . 72.12 109.816 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.0 p -68.59 -22.35 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.877 0.37 . . . . 71.41 111.536 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 73.32 110.754 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 67' ' ' VAL . 9.5 mm-40 -61.43 -38.04 85.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.393 0.616 . . . . 73.35 109.892 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 30.4 ttpt -57.75 -57.25 13.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.968 -1.015 . . . . 64.44 110.511 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 68' ' ' SER . 94.6 mt -51.99 -43.35 63.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.665 -1.152 . . . . 52.34 111.651 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 75.2 mt -61.48 -46.72 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 63.31 110.47 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.59 -46.45 84.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 65.4 110.531 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 39.0 mt-10 -61.83 -37.89 86.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 73.13 110.905 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.53 -42.9 86.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.391 -0.368 . . . . 62.45 111.451 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 43.4 mtmt -72.89 -34.21 66.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.107 -0.237 . . . . 70.44 111.545 -177.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 p -69.55 -24.84 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.712 0.264 . . . . 74.35 111.712 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 98.8 mtt180 -59.95 -44.51 94.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.864 0.364 . . . . 74.13 110.909 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.34 -12.88 61.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.863 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 tp -95.75 -38.23 10.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.028 0.442 . . . . 75.02 110.771 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 83' ' ' ARG . . . -97.59 32.35 2.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.853 -0.612 . . . . 73.21 112.197 -172.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 82' ' ' ALA . 14.4 tpp180 72.69 131.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.604 0.716 . . . . 73.54 111.869 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -100.91 63.95 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.513 -0.767 . . . . 73.24 110.947 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 87' ' ' HIS . 6.7 pt-20 -77.0 167.56 21.61 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.961 -0.563 . . . . 53.41 110.341 176.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.6 60.91 6.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.346 -0.613 . . . . 75.43 109.346 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 11.8 t60 -78.97 56.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.553 -0.749 . . . . 73.21 110.793 -174.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -130.98 33.97 4.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.251 -0.648 . . . . 74.44 109.251 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -142.47 138.67 31.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.747 -0.661 . . . . 74.35 109.855 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -149.02 120.87 8.15 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.71 -0.478 . . . . 73.22 109.71 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.9 m80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.502 -0.761 . . . . 71.54 109.803 175.57 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.083 -0.34 . . . . 52.34 110.083 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.55 171.23 17.66 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.208 -0.757 . . . . 62.54 111.208 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.16 145.88 25.14 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.189 0.519 . . . . 65.04 111.466 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 4' ' ' ILE . 2.4 mp -85.4 159.51 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.678 -0.692 . . . . 74.2 109.807 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.11 -24.66 39.99 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.009 -0.615 . . . . 62.21 113.028 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.439 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 56.4 m-85 59.23 -170.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.221 0.608 . . . . 64.15 111.836 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.7 mt -66.77 -65.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.586 -0.524 . . . . 64.14 109.586 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.2 120.92 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.305 -0.628 . . . . 72.03 109.305 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -79.38 -175.83 4.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.559 -0.746 . . . . 75.13 110.857 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.96 173.23 6.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.552 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.9 30.11 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 119.822 -1.18 . . . . 71.51 112.717 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.07 -20.46 13.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.702 0.763 . . . . 71.44 109.03 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -103.03 -4.07 25.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.558 -1.201 . . . . 72.2 109.138 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.78 126.46 55.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.267 -0.879 . . . . 55.01 110.57 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -111.95 104.4 12.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 65.04 109.48 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.7 134.75 34.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 65.25 110.155 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.71 139.66 50.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.568 -0.742 . . . . 74.52 110.575 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -109.56 116.36 31.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.203 -0.908 . . . . 73.31 109.063 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.552 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 14.0 mt -98.35 137.88 24.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.328 -0.396 . . . . 71.11 110.178 -174.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.8 137.93 53.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.852 -0.613 . . . . 71.14 110.407 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -160.73 160.13 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.992 -0.549 . . . . 73.51 110.131 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.03 -45.33 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.809 0.3 . . . . 74.03 111.809 -176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.5 p -107.39 151.88 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.068 -0.253 . . . . 74.02 111.127 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -61.05 -35.39 76.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.427 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.91 -43.9 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 74.42 110.481 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.82 98.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 60.43 110.509 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 21' ' ' ALA . 4.0 mp -55.28 -49.97 70.73 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.914 0.387 . . . . 72.32 110.62 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.01 -33.63 76.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 72.1 111.582 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -70.54 -50.1 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.538 -0.301 . . . . 54.13 110.958 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.27 -41.95 97.81 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.288 -0.415 . . . . 72.22 110.771 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 59' ' ' LEU . 52.3 tp -58.57 -51.22 70.84 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.903 -0.59 . . . . 50.23 109.93 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -51.49 -50.53 59.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.968 -1.014 . . . . 73.11 111.001 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -62.21 -39.39 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 72.12 111.742 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.497 -0.319 . . . . 65.44 110.341 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.4 -37.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.272 0.558 . . . . 74.14 109.607 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 25.7 mm-40 -63.37 -41.06 98.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.765 -0.652 . . . . 74.13 110.414 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HE3' ' A' ' 77' ' ' LYS . 2.5 tt -61.54 -38.14 86.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.694 -0.684 . . . . 75.43 109.978 174.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 40.33 110.838 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -63.25 -31.15 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.306 0.574 . . . . 72.12 110.536 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -72.41 -20.03 61.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 73.51 110.232 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -93.93 -47.16 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 75.4 110.735 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 t -147.36 139.83 24.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.897 0.38 . . . . 74.04 110.249 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -9.43 51.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.153 -0.476 . . . . 53.13 111.16 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.17 21.45 22.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 52.33 112.36 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.33 116.68 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.506 0.67 . . . . 63.42 111.639 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -90.85 138.1 31.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.469 -0.937 . . . . 74.33 108.469 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 55.3 p90 -142.73 155.78 44.92 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.626 -0.83 . . . . 73.0 112.781 -174.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 17.3 m120 -129.99 163.55 26.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.592 -1.185 . . . . 70.25 108.898 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.5 t -144.13 138.63 24.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.569 -0.742 . . . . 74.24 109.221 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 p -62.9 158.8 18.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 72.14 110.792 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 5.6 pt-20 -78.09 120.33 22.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.893 -0.594 . . . . 74.25 110.176 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD21 HD13 ' A' ' 59' ' ' LEU . 94.7 mt -76.35 144.23 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.345 -0.843 . . . . 71.34 111.12 -173.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.3 p -127.14 173.08 9.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.839 -0.618 . . . . 72.14 109.776 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.63 -48.12 82.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.414 -0.357 . . . . 72.15 111.672 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -115.26 44.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.626 0.602 . . . . 50.25 112.626 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -85.93 116.73 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.547 -0.909 . . . . 70.44 108.547 165.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -91.0 -2.9 57.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.162 0.506 . . . . 74.12 110.108 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.7 162.57 40.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 70.23 109.885 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.552 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -148.7 154.87 40.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 63.35 110.018 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.439 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 m -112.09 126.46 55.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.32 -0.4 . . . . 52.35 110.428 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.84 138.64 51.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.014 -0.539 . . . . 64.54 111.071 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.5 mmt180 -103.08 115.99 31.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.879 -0.6 . . . . 52.05 109.582 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.21 105.8 15.0 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.722 -0.391 . . . . 74.2 110.18 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -100.16 116.16 31.52 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 63.41 110.26 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -99.11 -171.3 2.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.011 -0.541 . . . . 70.02 110.073 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -87.31 -49.38 7.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.038 0.447 . . . . 75.12 110.51 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.41 157.01 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.805 -0.634 . . . . 71.32 110.885 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 m -62.66 -19.83 64.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 65.15 111.716 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -68.06 -37.96 81.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 65.21 111.105 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.34 -32.08 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.013 -0.539 . . . . 74.42 110.628 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 58.5 tttp -54.88 -59.39 4.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.839 0.828 . . . . 52.23 110.004 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -55.04 -47.56 74.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.092 -1.413 . . . . 75.15 111.698 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.8 mt -57.83 -45.59 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.738 0.304 . . . . 74.12 111.205 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.59 -44.86 95.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.411 . . . . 53.54 110.661 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.09 -28.96 69.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 62.45 111.216 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.72 -47.78 36.86 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.848 0.356 . . . . 73.45 111.314 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' A' ' 37' ' ' LEU . 32.5 mtmt -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 71.33 111.531 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -66.8 -31.23 71.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.599 0.238 . . . . 54.4 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 79' ' ' ARG . 3.9 mmp_? -62.04 -44.05 97.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.855 0.359 . . . . 64.51 111.247 178.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -82.49 -12.78 57.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.297 -0.41 . . . . 72.24 111.411 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 tp -93.49 -41.84 9.57 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.064 0.459 . . . . 64.35 110.544 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.0 16.91 19.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.9 -0.591 . . . . 72.05 111.339 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.781 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -167.71 162.98 14.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.73 -0.841 . . . . 70.11 108.73 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.26 33.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 54.14 110.856 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' A' ' 83' ' ' ARG . 52.9 mt-10 -83.92 156.27 22.44 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.973 0.892 . . . . 62.33 111.913 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -164.12 94.44 0.74 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.749 -1.568 . . . . 64.04 108.473 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -46.2 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 73.32 110.655 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 61.94 90.58 0.07 Allowed 'General case' 0 CA--C 1.529 0.16 0 O-C-N 123.79 0.681 . . . . 55.12 111.606 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -150.47 -64.84 0.2 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.459 -0.571 . . . . 73.51 109.459 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 69.58 140.85 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.258 0.974 . . . . 75.24 110.985 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.1 t60 . . . . . 0 C--O 1.249 1.035 0 N-CA-C 108.866 -0.79 . . . . 74.4 108.866 175.733 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.458 -0.201 . . . . 54.1 110.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.4 144.62 9.08 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.973 -0.632 . . . . 62.03 112.462 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.7 133.73 55.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.648 -0.501 . . . . 72.04 109.648 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -90.47 163.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.172 0.51 . . . . 73.23 110.468 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.37 42.97 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.198 -1.161 . . . . 64.23 110.198 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.57 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 62.0 m-85 -110.27 174.28 5.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.929 -0.636 . . . . 73.31 110.994 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -75.39 -52.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.734 -0.666 . . . . 74.32 110.212 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.35 131.08 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 71.45 110.438 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 13.0 tmtt? -81.43 155.94 25.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.082 -0.508 . . . . 75.0 110.057 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.651 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 4.1 tm-20 -53.83 162.76 0.84 Allowed 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 115.259 -0.882 . . . . 71.14 111.594 176.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.8 -177.55 43.08 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.391 -0.909 . . . . 40.15 112.816 -176.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.27 -40.2 96.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.243 0.544 . . . . 72.42 110.847 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.15 6.1 49.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.47 -0.786 . . . . 70.43 110.36 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -109.97 139.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.389 -0.823 . . . . 75.22 110.509 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -135.64 138.65 43.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.348 . . . . 72.14 110.422 175.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.95 138.38 35.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.062 0.458 . . . . 74.53 110.013 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.19 129.25 75.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.642 -0.708 . . . . 73.05 109.127 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 m -115.53 114.19 24.65 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.883 -0.598 . . . . 72.32 110.119 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 14.4 mt -97.95 134.8 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.037 -0.727 . . . . 73.24 109.037 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 29.2 p90 -140.42 140.95 35.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.026 -0.534 . . . . 75.41 110.621 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.32 -171.31 1.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.498 -0.773 . . . . 72.41 109.841 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.98 -15.17 23.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.708 -0.224 . . . . 63.41 111.261 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -130.22 143.75 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 74.32 111.542 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 54' ' ' GLU . 68.1 tttt -59.89 -38.95 83.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.499 0.666 . . . . 74.21 109.328 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.49 -45.29 66.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 70.21 111.495 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.47 91.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 55.25 110.251 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HD22 ' A' ' 59' ' ' LEU . 9.9 mp -54.72 -50.61 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 74.52 110.669 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.88 -41.57 98.03 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.024 -0.535 . . . . 75.3 111.526 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 m -63.92 -45.33 89.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 72.2 110.997 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -72.19 -37.9 69.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 116.043 -0.526 . . . . 74.2 111.119 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.18 -48.52 78.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.143 0.497 . . . . 55.14 109.917 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.93 -44.1 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.116 -0.947 . . . . 61.34 111.111 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.34 -41.6 96.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.765 0.317 . . . . 51.21 110.916 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.34 -36.53 79.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.833 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.545 HG22 ' HE3' ' A' ' 39' ' ' LYS . 78.0 mt -66.68 -36.57 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.484 . . . . 61.14 109.769 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -65.75 -43.73 88.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.758 -0.655 . . . . 63.51 111.309 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD11 HD22 ' A' ' 81' ' ' LEU . 64.5 mt -66.37 -34.09 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.854 0.359 . . . . 75.03 110.317 175.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.42 83.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 62.24 110.616 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HE3' HG22 ' A' ' 35' ' ' ILE . 92.1 mttt -65.37 -45.0 85.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.298 -0.41 . . . . 75.53 110.881 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 m -63.12 -31.36 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 35.34 111.177 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' LEU . 91.4 t -85.68 -39.27 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.378 -0.374 . . . . 43.41 111.195 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.541 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.3 t -145.96 116.3 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.847 0.356 . . . . 33.42 110.488 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.76 87.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.25 -0.432 . . . . 64.11 111.046 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.83 55.65 0.5 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.975 -0.631 . . . . 62.43 111.749 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.3 p -72.4 128.7 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 63.1 111.506 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -93.27 122.98 36.23 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.086 -0.506 . . . . 70.24 109.641 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 39.1 p90 -144.8 150.66 37.55 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.683 -0.69 . . . . 75.31 112.111 -176.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.51 167.62 13.14 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.134 -1.062 . . . . 73.23 108.134 172.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -157.77 148.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.806 0.336 . . . . 74.12 110.533 -176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.47 156.48 39.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.077 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 1.1 pm0 -95.84 129.15 43.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.366 0.603 . . . . 62.22 109.403 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' HE3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -116.65 162.65 17.32 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.619 -0.719 . . . . 63.14 112.284 -172.265 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.0 p -114.35 -166.54 1.11 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.017 -0.992 . . . . 50.03 108.751 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 2.6 mp0 -79.62 -12.75 59.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.861 0.362 . . . . 65.21 110.807 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.96 -5.51 24.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 72.1 112.134 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.7 m -69.27 122.4 18.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.141 0.496 . . . . 63.05 110.85 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 87.8 mttt -95.39 -9.8 31.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.87 -0.604 . . . . 72.23 110.739 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.4 pt-20 -143.57 150.86 39.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.847 0.356 . . . . 72.35 111.239 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD22 HD23 ' A' ' 27' ' ' LEU . 2.7 pt? -149.74 148.55 29.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.976 -0.75 . . . . 62.01 108.976 170.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.57 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 57.4 m -110.64 118.84 37.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.207 -0.451 . . . . 75.42 110.365 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.52 122.91 48.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.898 -0.592 . . . . 52.55 109.942 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 36.4 ttm180 -104.54 115.9 31.15 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.947 -0.569 . . . . 71.1 110.351 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.74 135.7 53.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 74.25 111.846 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -123.79 120.06 31.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.822 -0.807 . . . . 75.53 108.822 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.13 -169.87 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 74.41 111.5 -171.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 24.3 mm-40 -47.85 -55.04 10.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.587 -0.733 . . . . 74.43 110.512 178.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' HG2' ' A' ' 70' ' ' GLU . 21.8 m -144.42 175.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.249 -0.887 . . . . 63.4 109.11 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -67.79 -23.38 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 44.53 111.756 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.91 85.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.073 -0.512 . . . . 74.45 110.979 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HG3' ' HB2' ' A' ' 66' ' ' GLU . 7.9 mm-40 -64.13 -32.62 74.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 52.04 110.218 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 22.7 ttmt -53.42 -58.53 6.8 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.574 0.702 . . . . 54.42 109.842 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 91.0 mt -50.78 -47.76 59.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.096 -1.411 . . . . 63.33 111.316 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.53 HG22 ' HE2' ' A' ' 77' ' ' LYS . 63.4 mt -60.96 -43.78 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 53.12 111.158 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -62.3 -47.95 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 64.42 110.215 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 5.8 mm-40 -55.18 -47.21 75.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 63.1 110.487 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 56.7 mt -58.18 -45.7 87.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.041 -0.527 . . . . 74.11 111.647 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HE2' HG22 ' A' ' 73' ' ' ILE . 55.8 mtmt -73.57 -32.33 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.518 -0.31 . . . . 54.11 111.335 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.3 m -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.751 0.31 . . . . 61.32 110.599 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 79' ' ' ARG . 11.8 mmt180 -57.9 -44.9 87.04 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.732 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 m -67.23 -37.6 83.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.988 -0.551 . . . . 64.31 111.502 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.539 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp -70.77 -40.1 72.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.299 -0.41 . . . . 60.4 110.427 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.51 9.15 14.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 53.0 111.612 -176.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -103.26 -46.94 4.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.314 -0.403 . . . . 65.51 110.577 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -112.21 11.65 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.184 0.516 . . . . 72.41 110.787 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 52.33 -157.36 0.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.855 -1.066 . . . . 55.23 110.916 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.21 85.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.018 0.437 . . . . 65.04 110.163 174.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -86.44 135.0 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.286 -0.635 . . . . 74.42 109.286 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -122.25 119.07 30.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.111 0.481 . . . . 75.55 111.964 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -134.56 -1.84 2.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.366 -0.834 . . . . 64.42 108.832 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -163.95 141.95 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.216 -0.902 . . . . 74.0 109.69 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.374 -0.822 . . . . 74.11 109.861 177.16 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.939 0.4 . . . . 72.43 109.974 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.94 51.42 0.64 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.978 -0.849 . . . . 45.54 110.978 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.69 134.47 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.489 . . . . 73.33 110.534 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.465 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -101.13 164.73 2.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.542 -0.754 . . . . 74.21 110.779 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.41 49.52 4.24 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.979 -0.629 . . . . 60.14 113.289 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.592 ' HZ ' ' HG ' ' A' ' 50' ' ' SER . 61.1 m-85 -108.51 157.67 18.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.719 -0.474 . . . . 73.42 109.719 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.3 -54.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.932 0.396 . . . . 61.41 110.539 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 64' ' ' LYS . 77.3 mt -82.43 133.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.071 -0.513 . . . . 70.21 110.475 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -95.99 -175.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.76 . . . . 65.23 110.961 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -71.13 165.45 23.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.214 -0.448 . . . . 75.01 111.271 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.44 -164.77 34.15 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.335 -0.706 . . . . 61.21 111.335 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.54 -25.94 14.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.789 0.804 . . . . 71.05 109.26 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 1.2 pm0 -98.86 -0.33 42.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.49 -1.232 . . . . 71.21 110.092 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 13' ' ' GLU . 37.0 t -125.41 133.54 69.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 61.14 110.589 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -141.47 151.88 43.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.366 -0.379 . . . . 72.13 110.269 178.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 5.9 p-10 -104.98 133.61 49.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.425 0.631 . . . . 75.33 110.238 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 t -120.46 128.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.327 -0.851 . . . . 62.13 109.704 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 57.5 m -111.15 117.53 33.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.193 -0.912 . . . . 61.04 109.258 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 55.5 mt -97.43 144.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.168 -0.469 . . . . 74.22 109.783 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.34 138.41 54.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.035 -0.529 . . . . 71.24 110.367 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.92 160.19 16.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.23 -0.895 . . . . 70.04 108.904 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.28 -36.45 27.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.962 0.356 . . . . 60.31 111.962 -174.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -110.65 144.88 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.699 -0.228 . . . . 64.2 111.07 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 62.4 tttm -55.97 -43.11 77.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.956 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.26 -46.3 69.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.492 -0.776 . . . . 75.33 110.945 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.69 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.48 -0.327 . . . . 64.31 110.744 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.9 mp -54.23 -53.87 47.69 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.338 0.59 . . . . 73.11 110.137 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.04 -31.06 70.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.189 -0.914 . . . . 72.14 112.141 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -74.71 -46.82 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.507 0.194 . . . . 64.11 111.191 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -68.87 -34.65 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.042 0.449 . . . . 35.13 109.842 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.33 -50.27 59.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.406 -0.816 . . . . 73.5 110.347 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.56 71.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.004 -0.998 . . . . 42.41 111.303 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.63 -35.43 80.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 75.54 111.021 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.23 -39.22 78.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.33 -0.395 . . . . 75.11 110.564 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.6 mt -65.09 -40.56 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.915 -0.402 . . . . 72.21 109.915 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -59.98 -45.38 92.89 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.861 -0.609 . . . . 52.43 110.981 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -33.61 76.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 51.11 109.955 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.07 76.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.152 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.96 -30.81 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 74.43 110.762 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -65.88 -30.44 71.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.663 -0.698 . . . . 43.42 110.703 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.3 t -93.99 -45.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 61.15 111.029 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.6 t -134.28 125.54 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.248 -0.433 . . . . 75.43 110.168 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.15 -7.5 59.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.973 -0.558 . . . . 55.32 110.92 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.32 34.85 4.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.693 -0.765 . . . . 41.23 112.12 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.74 124.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 61.32 111.312 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -110.11 151.31 27.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.522 -0.763 . . . . 71.55 109.268 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 51.5 p90 -143.79 150.92 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.119 0.785 . . . . 70.54 113.119 -176.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 12.8 m120 -115.08 168.79 9.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.365 -1.289 . . . . 72.04 107.702 169.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.3 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.693 -0.403 . . . . 62.41 110.757 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.592 ' HG ' ' HZ ' ' A' ' 6' ' ' PHE . 1.5 m -68.91 168.19 14.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 65.22 109.679 174.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.48 133.36 34.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.967 0.413 . . . . 65.24 109.91 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.34 157.24 19.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 73.24 110.776 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.7 p -133.2 -171.95 2.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.758 -0.656 . . . . 64.41 109.655 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.14 -28.16 29.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 71.13 109.804 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -97.49 -4.22 38.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.955 -1.02 . . . . 74.11 111.988 -175.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 p -76.12 115.84 16.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.98 0.419 . . . . 61.15 111.332 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -97.44 9.92 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 53.44 109.558 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.1 pt-20 -150.12 154.06 37.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 73.12 110.356 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 HD23 ' A' ' 27' ' ' LEU . 2.6 pt? -150.61 141.87 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.639 -0.504 . . . . 61.34 109.639 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.1 m -104.27 120.62 41.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.475 . . . . 73.14 110.549 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.17 55.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.91 -0.586 . . . . 72.04 110.464 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 23.9 tpp180 -93.09 114.92 27.58 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.353 -0.61 . . . . 72.42 109.353 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -109.43 126.01 53.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.795 0.331 . . . . 72.3 111.265 -177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 8' ' ' ILE . 9.4 ptmt -112.33 131.01 55.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.256 -0.646 . . . . 73.55 109.256 171.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.48 169.48 8.83 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.195 -0.668 . . . . 64.51 109.195 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -49.6 67.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.68 -0.489 . . . . 74.33 109.68 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.14 163.42 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.031 -0.531 . . . . 71.33 110.442 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 19.5 m -68.5 -26.03 65.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.085 0.469 . . . . 73.12 111.189 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.06 79.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 74.34 111.01 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 71.2 110.605 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 11.9 ttpt -66.06 -50.24 64.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.161 -0.681 . . . . 72.02 109.161 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' SER . 87.4 mt -52.0 -49.96 62.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.513 -1.221 . . . . 72.42 111.747 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.24 -47.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 63.12 110.937 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.1 -51.01 70.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 73.55 110.454 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 9.9 mm-40 -60.27 -30.3 69.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 71.14 111.675 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.96 -39.97 65.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.977 0.417 . . . . 73.21 110.964 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -79.39 -29.16 41.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.132 -0.486 . . . . 75.41 111.7 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 p -69.54 -35.47 75.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.934 -0.307 . . . . 73.11 110.961 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.0 mmp_? -57.43 -44.4 84.66 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.17 0.51 . . . . 72.42 110.647 175.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -77.17 -19.96 56.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.666 -0.697 . . . . 50.45 111.403 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.55 -42.54 16.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.252 -0.431 . . . . 65.21 110.281 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.38 15.43 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 73.1 111.277 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.879 ' HG2' ' HG2' ' A' ' 85' ' ' GLU . 52.0 ttt180 -74.79 -56.73 4.48 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.379 -0.828 . . . . 72.31 109.815 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.1 mt 52.92 34.54 16.98 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.405 0.891 . . . . 75.11 113.405 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.879 ' HG2' ' HG2' ' A' ' 83' ' ' ARG . 12.8 pt-20 -122.25 -167.32 1.54 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.769 0.319 . . . . 74.3 110.368 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -79.42 142.76 35.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.277 -0.42 . . . . 71.0 110.162 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -83.26 38.84 0.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.242 0.46 . . . . 52.44 112.242 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -142.71 56.95 1.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.005 -0.739 . . . . 72.11 109.005 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -168.34 86.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.797 -0.638 . . . . 64.23 110.859 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -103.28 -33.66 9.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.955 -0.757 . . . . 74.21 108.955 173.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.385 -0.825 . . . . 64.45 109.435 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.652 0.263 . . . . 73.14 110.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.8 56.26 0.41 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.871 -0.892 . . . . 71.43 110.871 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.52 136.96 35.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.442 -0.379 . . . . 53.43 110.285 -174.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.85 165.63 2.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.388 -0.369 . . . . 73.34 110.525 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.78 40.25 0.13 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.159 -0.777 . . . . 54.12 111.159 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -85.28 -175.96 5.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.158 -0.521 . . . . 71.43 111.149 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.41 -49.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 65.24 109.889 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.32 130.54 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.762 -0.654 . . . . 73.13 110.079 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -76.31 174.69 9.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.784 -0.644 . . . . 73.22 111.161 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.15 163.16 26.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.791 -0.64 . . . . 72.42 110.714 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.17 172.46 45.16 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.264 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.57 -23.24 42.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 72.33 110.686 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.27 4.12 33.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 74.31 110.484 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.87 139.28 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.865 -0.607 . . . . 64.14 110.563 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.16 114.57 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 74.12 110.863 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.575 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 p30 -101.02 129.29 46.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 53.23 110.63 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.26 142.08 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 64.01 110.435 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 m -105.33 110.18 22.44 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.733 -0.667 . . . . 75.45 110.198 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.436 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 53.6 mt -99.73 143.37 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 62.05 109.391 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -141.35 143.57 34.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 64.35 111.602 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -169.87 163.26 9.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.205 -0.907 . . . . 53.04 109.463 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.29 -28.25 53.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.283 0.475 . . . . 75.51 112.283 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -115.49 147.68 40.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.623 0.249 . . . . 73.34 111.38 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -62.87 -36.05 82.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.32 0.581 . . . . 45.34 110.093 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.06 -43.8 82.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.958 . . . . 74.44 110.923 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.39 91.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 72.2 110.38 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.5 mp -55.33 -53.56 54.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.381 -0.372 . . . . 71.41 110.431 175.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.757 -0.656 . . . . 64.22 111.823 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -65.15 -50.42 66.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.876 0.369 . . . . 74.54 110.917 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.97 -37.02 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 71.33 110.311 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.74 -50.92 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.567 -0.742 . . . . 64.33 110.329 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.54 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 71.33 111.406 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.97 -41.4 91.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.939 0.4 . . . . 74.14 110.794 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -41.89 98.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.699 . . . . 62.12 110.547 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.75 -41.19 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 75.43 110.773 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.76 -37.54 87.94 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.276 -0.42 . . . . 70.04 110.801 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -38.72 91.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 61.21 109.759 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.07 38.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 42.13 111.458 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 68.2 mttm -68.58 -21.32 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 65.12 111.807 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -70.72 -21.05 62.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 72.15 110.505 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.54 -52.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.606 -0.516 . . . . 72.22 109.606 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 37.0 t -122.18 100.95 7.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.665 -0.698 . . . . 74.31 109.185 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.02 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 73.42 111.46 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.77 39.66 3.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.956 -0.64 . . . . 72.54 112.763 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.59 127.52 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.083 0.468 . . . . 71.4 110.245 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.78 144.96 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.442 -0.577 . . . . 61.11 109.442 176.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.7 p90 -139.2 154.55 48.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.766 0.793 . . . . 74.35 112.017 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.51 166.62 15.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.216 -1.357 . . . . 53.13 108.342 168.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.94 142.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 116.056 -0.52 . . . . 74.14 110.177 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -69.66 163.57 25.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.067 -0.515 . . . . 65.42 110.074 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -92.97 132.59 36.94 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.67 -0.493 . . . . 75.3 109.67 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -88.18 120.56 29.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.707 -0.679 . . . . 62.15 111.042 -171.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -92.51 -164.54 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 62.13 111.344 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.06 -56.12 26.3 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.141 -0.481 . . . . 65.13 110.715 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -103.05 45.92 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 70.53 111.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -71.6 96.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.281 0.562 . . . . 63.23 109.82 172.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -106.84 16.76 23.99 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.307 -0.861 . . . . 70.14 108.927 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.3 pt-20 -167.02 154.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.525 -1.216 . . . . 71.34 109.755 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.06 150.55 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.727 -0.471 . . . . 65.21 109.727 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.7 m -108.87 118.03 35.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.029 0.442 . . . . 71.24 110.566 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.77 118.07 35.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 74.4 110.15 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 29.8 ttm180 -100.82 118.02 36.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.4 -0.364 . . . . 74.34 110.967 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.27 126.7 52.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.325 -0.398 . . . . 51.15 110.66 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -106.17 117.19 33.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.563 -0.532 . . . . 70.42 109.563 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.59 175.78 6.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.207 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.72 -43.98 24.55 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.485 -0.561 . . . . 65.42 109.485 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.98 155.5 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.688 -0.687 . . . . 75.32 109.98 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 15.9 m -65.57 -17.95 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 70.14 111.593 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.84 -38.33 86.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.07 -0.514 . . . . 65.44 110.379 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -66.38 -34.09 77.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 74.53 110.238 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 56.9 tttp -55.82 -59.94 4.17 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.633 -0.712 . . . . 70.24 109.686 174.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.8 mt -54.78 -47.89 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.485 -1.234 . . . . 74.11 111.558 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -57.81 -47.56 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.864 0.364 . . . . 63.32 111.058 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.033 0.444 . . . . 54.15 110.811 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 75.9 mt-10 -68.75 -28.73 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 74.3 110.883 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 49.2 mt -69.36 -43.26 73.98 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.866 0.365 . . . . 72.21 110.89 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.24 -41.18 77.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 75.23 111.162 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -68.63 -20.5 64.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 74.22 111.54 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 76' ' ' LEU . 9.9 mmm180 -59.05 -43.77 91.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.978 0.418 . . . . 54.32 110.807 174.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -77.63 -41.64 37.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.831 -0.622 . . . . 74.25 112.043 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp -73.78 -42.81 60.49 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 121.119 0.485 . . . . 74.12 110.43 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.41 76.12 0.96 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.751 0.786 . . . . 62.03 110.294 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -94.59 3.27 55.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.352 -0.84 . . . . 64.14 109.585 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.65 6.15 48.39 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.362 -0.836 . . . . 75.34 110.494 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -122.52 -175.69 3.2 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.702 -1.135 . . . . 71.34 109.277 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -120.51 76.22 1.17 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.494 0.664 . . . . 72.52 109.722 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -76.25 100.52 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.854 -1.066 . . . . 75.44 110.391 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -96.98 146.26 25.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 73.53 110.806 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.19 106.01 18.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.734 -0.469 . . . . 63.52 109.734 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -76.19 116.93 17.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.803 0.335 . . . . 73.31 110.25 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.559 -0.734 . . . . 73.43 109.502 175.307 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.185 -0.302 . . . . 52.11 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.9 108.56 0.51 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.912 -0.661 . . . . 70.12 111.866 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.23 137.81 55.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 60.34 110.823 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.563 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 1.2 pt -135.29 160.43 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 115.574 -0.739 . . . . 71.1 110.288 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.48 59.96 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.251 -0.5 . . . . 51.34 112.691 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' HD1' ' HB ' ' A' ' 4' ' ' ILE . 69.8 m-85 -115.87 175.64 5.45 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.559 -0.321 . . . . 74.31 110.263 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.38 -50.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 71.34 110.417 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 64' ' ' LYS . 73.9 mt -80.14 120.42 31.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.719 0.771 . . . . 74.22 110.513 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' O ' HG11 ' A' ' 14' ' ' VAL . 89.5 mttt -94.06 -178.11 4.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.831 -1.077 . . . . 63.44 110.007 -178.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.55 164.36 26.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.029 0.442 . . . . 73.5 111.844 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.7 162.96 30.45 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.038 -0.825 . . . . 62.44 111.038 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 71.34 110.426 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.82 9.86 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.994 -0.548 . . . . 63.24 110.521 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 9' ' ' LYS . 43.5 t -109.88 124.67 66.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.499 -0.319 . . . . 73.03 110.638 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -129.66 126.39 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.908 0.385 . . . . 72.24 111.074 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.674 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.6 p30 -101.84 145.0 29.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.167 -0.47 . . . . 64.33 110.39 176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.12 132.54 71.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.656 -0.702 . . . . 55.43 109.716 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 m -105.83 109.62 21.64 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.821 . . . . 54.14 108.797 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 33.0 mt -98.84 142.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.02 -0.537 . . . . 74.3 110.419 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -121.97 140.66 52.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.889 -0.596 . . . . 71.42 110.081 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.05 167.96 24.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.113 -0.494 . . . . 64.33 109.922 173.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.04 -40.53 62.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.615 0.245 . . . . 73.35 110.923 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.6 p -131.39 170.63 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.326 -0.397 . . . . 51.33 110.721 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.08 -43.01 99.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.53 -0.304 . . . . 72.22 110.937 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.28 -48.39 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.268 -0.424 . . . . 71.44 111.254 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.74 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 75.24 110.559 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.9 tp -59.39 -49.99 75.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.824 -0.625 . . . . 74.12 110.169 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.0 -37.17 81.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 74.35 111.457 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.5 m -69.04 -44.86 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.035 0.445 . . . . 32.14 110.902 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.58 -46.84 86.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 62.32 110.577 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.79 -51.24 61.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.588 -0.733 . . . . 75.21 111.175 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 -31.41 63.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.271 -0.877 . . . . 35.11 111.7 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -74.82 -40.12 61.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.532 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.5 -33.1 70.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.375 -0.375 . . . . 70.03 110.899 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.527 HG22 ' HE2' ' A' ' 39' ' ' LYS . 70.4 mt -67.67 -35.86 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 71.23 110.047 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.18 -46.61 88.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.082 -0.508 . . . . 73.54 110.362 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.25 -37.97 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.803 -0.635 . . . . 61.15 110.175 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.16 -47.26 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 71.4 111.304 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 35' ' ' ILE . 58.3 mtmt -69.28 -22.72 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 61.14 111.249 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -70.53 -23.39 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.334 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.82 -44.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.191 0.519 . . . . 52.12 110.475 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.661 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 5.0 p -138.98 126.03 21.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.008 -0.542 . . . . 61.03 110.646 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -24.69 25.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 65.31 110.299 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.39 49.79 1.03 Allowed Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.871 -0.604 . . . . 61.13 111.66 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.661 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 11.6 p -99.68 133.83 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.772 0.32 . . . . 73.42 110.521 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . 11.8 mp0 -97.64 135.88 38.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 63.21 109.366 172.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 33.6 p90 -142.33 150.92 41.4 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.117 0.484 . . . . 73.32 111.259 178.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.81 160.78 20.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.926 -0.768 . . . . 63.21 108.926 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.04 139.34 37.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.558 -0.746 . . . . 71.21 109.198 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.5 161.61 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.958 -0.386 . . . . 71.13 109.958 177.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.18 128.08 34.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 74.21 109.218 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.79 122.13 26.24 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.86 -0.422 . . . . 73.22 109.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 p -84.55 -167.02 1.63 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.783 -0.644 . . . . 64.2 110.071 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -81.5 -39.05 25.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.47 0.652 . . . . 73.3 109.261 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.507 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 66.5 mm-40 -107.09 33.99 3.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.944 -1.025 . . . . 74.41 111.318 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -70.31 102.15 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.049 0.452 . . . . 73.13 111.245 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 55' ' ' GLU . 3.9 mppt? -98.38 4.26 48.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.2 -0.667 . . . . 73.02 109.2 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -156.15 157.89 36.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.34 -0.846 . . . . 63.13 110.19 179.371 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.1 pt? -157.05 157.11 34.0 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.341 -0.614 . . . . 70.2 109.341 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -113.27 115.36 28.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.905 0.383 . . . . 74.51 110.705 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.82 117.19 30.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.014 -0.539 . . . . 71.41 109.769 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.674 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 34.6 ttm180 -108.74 123.03 48.37 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.782 -0.367 . . . . 72.15 111.37 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -107.57 125.22 51.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.51 -0.768 . . . . 71.24 109.68 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -104.73 123.61 47.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.51 0.672 . . . . 74.0 109.824 174.286 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.458 ' HD1' ' HG ' ' A' ' 42' ' ' CYS . 87.1 m-85 -92.34 178.74 5.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.344 -0.844 . . . . 75.55 109.452 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.86 -40.29 11.84 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.755 0.312 . . . . 71.24 110.695 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 29.2 m -125.87 152.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.292 -0.413 . . . . 63.11 110.441 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -61.84 -23.74 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 73.02 111.826 -176.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.96 73.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 71.34 111.148 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 52.0 mt-10 -68.42 -32.76 73.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.031 -0.531 . . . . 72.34 110.874 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.556 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 36.3 ttmt -61.05 -57.07 14.14 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.263 0.554 . . . . 71.31 109.931 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -50.13 -44.13 52.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.391 -1.277 . . . . 70.51 111.581 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.52 -52.69 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.524 -0.307 . . . . 73.13 110.856 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.32 -49.81 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 73.01 110.621 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.9 -37.81 74.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 62.34 111.267 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.79 -39.41 76.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.801 0.334 . . . . 74.22 111.185 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.09 -39.75 71.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 70.25 111.092 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.4 p -65.14 -40.83 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 41.44 110.821 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -59.99 -44.59 94.41 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.488 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 m -73.59 -22.47 60.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.118 -0.492 . . . . 74.23 111.433 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 tp -79.72 -39.28 31.49 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.445 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.71 66.33 5.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.336 0.588 . . . . 74.12 110.064 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -164.23 167.56 19.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.357 -0.838 . . . . 74.35 109.884 -175.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -82.56 36.43 0.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.849 0.357 . . . . 64.31 111.814 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 68.69 176.81 0.27 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.469 -0.787 . . . . 53.5 112.579 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 64.46 -179.63 0.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.655 -1.157 . . . . 71.53 112.056 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t60 64.62 81.01 0.22 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.678 -0.692 . . . . 72.42 111.033 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -139.38 58.17 1.63 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.997 -0.547 . . . . 73.12 110.144 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.6 t60 56.76 81.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.624 -0.716 . . . . 43.43 109.875 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -69.93 129.81 40.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 73.51 111.705 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.245 0.834 0 CA-C-N 115.272 -0.876 . . . . 72.31 108.834 173.593 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.111 -0.329 . . . . 54.22 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.7 124.76 5.79 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.64 -0.79 . . . . 53.41 112.569 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.54 146.26 24.72 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.495 -0.557 . . . . 75.14 109.495 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.425 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.4 mt -115.96 163.04 13.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.614 -0.513 . . . . 74.44 109.614 -176.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.43 45.31 2.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.324 -0.465 . . . . 65.45 113.537 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' HE2' HD12 ' A' ' 4' ' ' ILE . 45.3 m-85 -79.91 166.04 22.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.057 -0.349 . . . . 75.01 110.057 175.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.97 -41.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.399 0.619 . . . . 55.14 109.639 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.618 HD13 ' HG2' ' A' ' 64' ' ' LYS . 95.1 mt -92.21 126.85 44.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.321 -0.854 . . . . 62.23 110.693 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' HG11 ' A' ' 14' ' ' VAL . 20.5 pttm -93.37 166.15 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.738 -0.665 . . . . 73.41 110.929 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.37 165.85 7.15 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.868 0.73 . . . . 75.13 111.819 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.22 -160.04 27.61 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.532 -0.627 . . . . 73.34 111.532 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.34 -27.72 19.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.418 0.628 . . . . 73.34 109.942 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.48 3.08 45.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.164 -0.926 . . . . 72.03 109.914 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 9' ' ' LYS . 57.4 t -107.98 142.35 20.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.55 -0.75 . . . . 73.33 110.999 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -161.46 116.55 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 75.22 109.883 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.735 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.2 p30 -90.54 143.48 26.7 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.231 0.538 . . . . 75.14 110.063 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -113.98 125.14 71.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 115.192 -0.913 . . . . 74.03 109.513 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 m -98.53 111.36 23.75 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.844 -1.071 . . . . 72.33 108.816 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 15.8 mt -98.17 136.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.607 -0.516 . . . . 73.13 109.607 -176.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 7.2 p90 -135.89 135.92 40.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.789 -0.641 . . . . 72.44 110.749 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -163.02 -179.45 6.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 60.44 109.981 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -94.87 -15.88 23.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.607 0.595 . . . . 74.35 112.607 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -133.94 156.21 48.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.103 0.477 . . . . 62.42 111.695 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 25.0 ttpp -65.2 -41.76 94.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 71.2 110.128 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.95 -35.97 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 73.23 110.898 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.22 -46.31 70.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.41 -0.359 . . . . 74.31 110.424 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.3 mp -54.24 -50.41 67.24 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.394 0.434 . . . . 64.03 110.692 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.07 -45.58 83.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.048 -0.524 . . . . 64.34 111.233 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 48.8 m -66.89 -46.7 74.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 30.05 111.293 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 29.5 mm-40 -64.6 -43.56 93.41 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.614 -0.266 . . . . 71.33 111.202 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.33 -49.32 72.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 73.43 110.175 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.02 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.053 -0.976 . . . . 23.4 111.231 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 29' ' ' SER . 75.8 mmtt -65.15 -37.43 87.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.712 -0.222 . . . . 74.03 111.441 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -69.29 -39.61 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.625 -0.261 . . . . 74.44 110.645 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.06 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 73.43 109.839 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.56 -45.52 88.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.604 -0.726 . . . . 73.31 110.794 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.96 -32.26 73.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 75.32 110.8 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.33 -49.09 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 62.31 110.756 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.49 -29.24 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.13 111.016 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -67.5 -27.08 66.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.561 . . . . 55.13 110.101 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.66 -49.75 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.948 -0.569 . . . . 52.04 111.19 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 t -139.43 133.07 30.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.06 0.457 . . . . 75.33 110.63 -171.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.11 -22.83 22.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.83 -0.623 . . . . 63.11 110.861 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.25 28.07 10.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.933 -0.651 . . . . 70.41 112.024 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -79.42 125.12 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.563 0.697 . . . . 71.23 111.008 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -108.75 145.06 35.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.386 -0.824 . . . . 41.32 109.142 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 49.4 p90 -144.49 152.13 40.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.749 0.785 . . . . 73.45 112.807 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.3 167.27 12.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.31 -1.313 . . . . 63.25 107.513 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.59 149.15 3.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 120.559 -0.457 . . . . 74.54 111.137 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -77.91 170.01 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 54.31 110.137 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 135.49 35.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.36 -0.608 . . . . 72.04 109.36 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.431 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -107.45 114.53 28.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.262 0.553 . . . . 60.33 111.227 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.0 p -122.27 176.8 5.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.679 . . . . 71.51 109.407 174.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.33 -19.31 58.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.33 . . . . 74.42 111.582 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.39 -12.84 48.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 62.12 110.277 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.1 m -87.9 101.17 13.47 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.287 -0.635 . . . . 72.24 109.287 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 14.4 mmmm -76.67 -9.22 58.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 71.53 110.163 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 8.8 pt-20 -146.45 146.72 30.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.703 -0.68 . . . . 71.02 110.864 -177.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -133.45 140.55 47.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.23 -0.656 . . . . 74.45 109.23 170.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 m -103.56 112.82 25.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.091 -0.504 . . . . 71.54 110.725 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.44 111.68 24.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.252 -0.431 . . . . 73.34 109.935 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 21.1 tpp85 -90.5 113.85 25.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 75.32 109.88 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -106.94 140.48 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 53.13 110.788 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -125.38 141.25 52.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.306 -0.628 . . . . 60.14 109.306 168.643 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 96.8 m-85 -110.77 -178.75 3.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.364 -0.606 . . . . 65.34 109.364 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.15 -49.35 19.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.102 0.477 . . . . 73.25 110.668 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.07 170.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.999 -0.546 . . . . 72.01 110.674 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 m -66.07 -28.17 68.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.041 0.448 . . . . 74.55 111.444 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.95 97.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 72.25 111.06 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 3.2 mm-40 -59.1 -42.33 90.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.455 0.645 . . . . 75.42 109.593 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.9 tmmm? -61.65 -52.27 65.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 74.42 110.032 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.14 -47.31 78.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.246 -0.888 . . . . 73.3 111.715 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 76' ' ' LEU . 71.9 mt -63.42 -34.52 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.968 0.414 . . . . 75.15 111.308 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.98 -48.01 64.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 74.42 110.195 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.638 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 55.2 mm-40 -66.94 -30.65 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.511 . . . . 54.15 111.765 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 73' ' ' ILE . 37.8 mt -59.83 -37.66 79.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.214 0.531 . . . . 65.31 110.288 174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -72.65 -46.49 53.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.293 -0.867 . . . . 74.25 110.971 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.638 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 11.5 p -66.3 -36.81 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.592 0.59 . . . . 52.02 112.592 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.2 mtm180 -54.66 -50.63 67.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 111.993 0.368 . . . . 74.15 111.993 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -87.29 -12.83 45.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 73.15 110.737 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.6 tp -77.55 -47.3 19.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.085 0.469 . . . . 73.5 109.836 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.0 12.02 6.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.579 . . . . 73.42 110.956 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -93.19 -21.18 19.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.396 -0.82 . . . . 44.15 110.139 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.4 mt 57.78 68.38 0.85 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.637 -0.711 . . . . 72.55 111.544 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 58.38 -146.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.976 -1.011 . . . . 72.21 111.769 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 43.17 69.65 0.37 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 122.476 1.131 . . . . 75.22 110.912 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -135.05 49.37 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.262 -0.881 . . . . 74.31 112.462 -174.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -69.61 -35.38 75.23 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.638 -0.875 . . . . 74.22 108.638 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -134.52 128.79 34.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.671 -1.15 . . . . 54.01 108.474 170.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.76 -9.42 58.64 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.096 -0.242 . . . . 71.33 110.372 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.25 1.086 0 O-C-N 124.42 1.075 . . . . 63.33 110.05 -178.42 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' H3 ' HD11 ' A' ' 4' ' ' ILE . . . . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.15 -0.315 . . . . 73.32 110.15 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.99 -100.84 0.48 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.06 -0.591 . . . . 63.52 112.001 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.483 ' HA ' HH22 ' A' ' 62' ' ' ARG . 43.4 tt0 -138.31 136.82 36.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.059 0.457 . . . . 73.33 109.997 174.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 60' ' ' THR . 15.1 mt -129.53 166.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.439 -0.948 . . . . 51.03 108.439 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' ILE . . . -73.96 55.63 2.22 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.664 -0.303 . . . . 52.24 113.074 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' CD2' ' HB ' ' A' ' 4' ' ' ILE . 48.4 m-85 -90.37 168.11 12.13 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 122.6 0.36 . . . . 73.22 110.059 175.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.04 -40.63 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.518 . . . . 63.11 109.82 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 64' ' ' LYS . 83.2 mt -98.83 124.13 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.569 -0.742 . . . . 70.22 110.429 176.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' HG11 ' A' ' 14' ' ' VAL . 46.9 mtmt -100.67 -176.51 3.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.737 . . . . 70.02 109.711 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.601 ' HG2' HH12 ' A' ' 62' ' ' ARG . 3.3 mm-40 -70.79 168.63 16.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.879 0.847 . . . . 64.23 112.656 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.33 -164.69 32.98 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.613 -1.176 . . . . 61.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' HE2' ' A' ' 71' ' ' LYS . 6.5 t70 -91.19 -19.78 22.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.213 0.53 . . . . 72.2 110.205 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.63 5.52 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.597 -0.729 . . . . 63.15 111.002 178.379 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 64' ' ' LYS . 47.0 t -106.21 141.29 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 71.31 110.611 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . -131.5 152.86 50.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.027 -0.361 . . . . 44.31 110.027 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.59 138.27 54.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.076 0.465 . . . . 64.32 110.541 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.01 135.28 55.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.534 -0.757 . . . . 52.21 109.943 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 m -133.79 116.47 15.74 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.836 -0.62 . . . . 74.21 109.983 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 59' ' ' LEU . 14.2 mt -100.33 139.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 74.1 109.812 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 37.5 m-85 -119.66 132.5 55.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 73.32 109.906 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -167.34 159.23 12.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.088 -0.505 . . . . 63.4 110.502 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.38 -51.57 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.308 0.484 . . . . 70.12 112.308 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -102.78 143.46 32.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.408 0.522 . . . . 62.41 112.408 -170.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 52' ' ' LEU . 55.4 tttm -54.26 -36.7 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.944 -1.026 . . . . 62.31 110.718 176.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.43 -46.89 83.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.508 -0.769 . . . . 70.11 111.091 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 64.34 110.684 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.818 ' HG ' HD22 ' A' ' 59' ' ' LEU . 10.2 mp -58.07 -54.66 44.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 71.12 110.296 174.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.74 -40.08 93.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 71.5 112.145 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.7 m -67.13 -46.46 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.716 0.294 . . . . 72.12 111.628 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.1 tp10 -70.89 -36.8 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 72.34 110.104 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' ALA . 24.5 tp -58.14 -46.93 84.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.902 -0.59 . . . . 54.42 110.505 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.229 -0.896 . . . . 71.41 111.467 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.49 -34.3 75.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.411 -0.359 . . . . 70.11 111.111 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 52.3 m-85 -75.41 -37.94 60.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 71.31 110.64 177.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.44 -38.79 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.63 -0.507 . . . . 61.23 109.63 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -63.16 -44.96 94.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.483 -0.78 . . . . 73.23 110.791 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.36 -41.42 89.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 51.12 109.797 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.4 -51.91 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.695 -0.684 . . . . 70.32 111.099 -174.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 49.3 mtmt -64.28 -30.81 71.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 72.13 111.151 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -66.6 -34.97 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.884 0.374 . . . . 64.4 110.328 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.15 -48.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 75.05 110.796 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.564 ' SG ' ' HG3' ' A' ' 66' ' ' GLU . 45.4 t -136.52 125.96 25.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.286 -0.416 . . . . 60.21 110.316 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.75 -20.16 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.007 0.432 . . . . 74.12 110.692 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.33 26.97 19.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.838 -0.696 . . . . 43.1 111.836 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 126.65 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.431 0.634 . . . . 71.21 110.939 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.18 116.9 33.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.762 -0.829 . . . . 71.44 108.762 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.3 p90 -131.16 149.98 52.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.653 0.739 . . . . 74.43 112.726 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.14 162.26 18.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.68 -1.145 . . . . 74.43 108.42 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.53 137.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.579 -0.526 . . . . 64.4 109.579 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -71.2 177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 65.33 111.065 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -82.62 129.19 34.9 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.024 -0.535 . . . . 54.11 111.423 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 85.3 mt -93.45 114.28 26.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.467 -0.788 . . . . 73.03 109.669 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.9 p -131.71 -177.6 4.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.353 -0.385 . . . . 60.13 110.479 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.26 -20.0 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.409 0.623 . . . . 63.41 109.897 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.18 -24.9 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.458 -0.792 . . . . 74.15 111.401 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.6 p -79.37 117.11 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.057 0.456 . . . . 74.21 111.934 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 4.8 mptp? -108.59 3.29 22.78 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.196 -1.039 . . . . 50.54 108.196 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.638 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 10.9 mt-10 -133.97 134.34 42.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.121 -1.4 . . . . 74.34 108.56 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.818 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -133.74 144.78 49.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.313 -0.555 . . . . 64.1 110.13 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.607 HG21 HD12 ' A' ' 4' ' ' ILE . 26.1 m -114.84 127.72 55.88 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.712 -0.676 . . . . 71.44 110.808 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -112.76 113.23 25.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.618 -0.719 . . . . 73.31 109.417 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' ' 10' ' ' GLU . 2.6 tpp180 -93.07 114.68 27.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.719 -0.673 . . . . 74.22 109.425 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -111.62 121.08 44.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.816 0.341 . . . . 75.33 111.211 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.63 ' HB2' HG21 ' A' ' 8' ' ' ILE . 49.9 tttm -113.9 123.74 50.49 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.712 -0.477 . . . . 72.43 109.712 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -95.27 -172.13 2.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.325 -0.398 . . . . 74.35 110.426 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.564 ' HG3' ' SG ' ' A' ' 42' ' ' CYS . 38.3 mt-10 -90.66 -42.51 10.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.981 0.42 . . . . 70.32 110.437 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.7 m -124.53 156.87 32.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 70.42 110.165 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 4.4 p -62.32 -28.99 70.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.355 0.502 . . . . 52.44 112.355 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.52 -33.89 73.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.797 -0.638 . . . . 71.22 111.335 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 54.7 mt-10 -67.84 -28.93 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 55.52 111.271 -176.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 1.6 tmmm? -62.0 -54.06 46.9 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.535 0.683 . . . . 75.41 109.374 175.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -55.58 -45.89 77.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.295 -1.32 . . . . 73.43 111.39 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -59.84 -43.36 91.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.943 0.401 . . . . 74.05 111.204 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -66.46 -50.06 64.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 75.11 110.459 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 21.3 mm-40 -58.98 -40.93 86.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 64.43 111.394 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.72 -47.38 82.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 73.03 111.113 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.53 -36.77 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.975 -0.557 . . . . 63.32 110.914 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 m -63.68 -32.59 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.046 -0.525 . . . . 65.23 111.243 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 13.4 mmp_? -58.12 -43.75 87.39 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.782 0.325 . . . . 73.3 110.929 176.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m -83.51 -38.31 21.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.944 -0.571 . . . . 72.4 111.799 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.64 -40.91 80.05 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 74.43 110.886 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.61 39.95 1.0 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.12 -0.491 . . . . 61.4 110.297 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -71.71 -55.73 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.653 -0.703 . . . . 73.44 110.555 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.1 mt 57.94 22.04 8.33 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.935 0.772 . . . . 61.03 110.999 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 86' ' ' HIS . 19.3 mt-10 53.79 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.479 -1.237 . . . . 73.52 111.243 -171.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 12.2 t-80 68.59 -68.79 0.17 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.411 -0.589 . . . . 73.22 109.411 -171.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.3 t60 55.54 99.48 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.007 0.923 . . . . 73.44 112.86 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -74.79 107.67 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 74.04 111.096 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -97.8 141.25 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 64.41 109.742 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -114.58 107.49 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.888 0.375 . . . . 75.22 111.454 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.256 -0.878 . . . . 60.34 109.5 175.084 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.932 -0.395 . . . . 53.24 109.932 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.94 172.04 12.41 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.03 -0.828 . . . . 72.35 111.03 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.19 94.91 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.861 0.839 . . . . 73.21 110.81 -176.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.502 ' HB ' ' CE2' ' A' ' 6' ' ' PHE . 25.5 mm -90.01 167.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 114.099 -1.409 . . . . 72.44 108.239 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 4' ' ' ILE . . . -71.44 58.34 1.2 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.59 -0.338 . . . . 51.55 113.389 -177.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.502 ' CE2' ' HB ' ' A' ' 4' ' ' ILE . 71.3 m-85 -95.82 -175.91 3.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.522 -0.339 . . . . 74.43 110.107 174.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.99 -49.83 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 71.34 110.612 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 46' ' ' GLU . 75.0 mt -94.13 139.18 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 62.11 111.019 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.94 -167.94 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.605 -0.725 . . . . 52.22 110.466 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.92 177.92 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.199 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.93 177.67 35.18 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 120.815 -0.707 . . . . 54.15 111.827 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -77.22 -22.39 52.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.464 0.649 . . . . 55.41 110.032 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 mt-10 -103.13 13.66 33.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 72.3 110.16 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -118.24 138.86 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.616 -0.72 . . . . 71.21 109.547 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -123.07 127.8 49.25 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.376 -0.231 . . . . 72.13 110.376 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.46 121.66 30.18 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.973 -0.751 . . . . 61.3 108.973 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.14 139.35 52.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 115.593 -0.73 . . . . 60.32 109.75 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -134.61 119.08 17.93 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.564 -0.743 . . . . 65.42 109.09 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 59' ' ' LEU . 23.1 mt -97.75 140.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.862 -0.422 . . . . 65.32 109.862 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -117.96 137.61 52.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 75.51 110.116 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.727 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.11 161.14 19.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.146 -0.934 . . . . 74.42 109.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.06 -42.14 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.782 -0.367 . . . . 61.12 111.284 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -110.06 149.21 30.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 64.33 111.241 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -58.78 -35.72 73.25 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.006 0.432 . . . . 63.2 110.456 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.07 -45.04 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 74.2 110.369 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.86 84.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 72.3 110.708 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' ALA . 7.0 mp -58.81 -51.52 69.64 Favored 'General case' 0 C--N 1.335 -0.046 0 CA-C-O 121.058 0.456 . . . . 74.23 109.974 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.36 -45.97 90.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.491 -0.777 . . . . 74.0 111.81 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -60.76 -48.5 81.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.487 -0.324 . . . . 51.1 111.208 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 18.2 tt0 -69.86 -41.2 75.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.539 -0.3 . . . . 73.42 110.229 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.41 -48.78 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 63.22 110.255 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.75 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.164 -0.925 . . . . 63.21 111.378 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 32.3 mmtp -72.07 -33.86 68.25 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.651 -0.25 . . . . 75.33 111.449 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.3 m-85 -68.08 -42.13 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.794 -0.447 . . . . 75.33 109.794 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.2 -40.94 90.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.213 -0.449 . . . . 75.14 110.098 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -57.55 -50.66 72.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.606 -0.725 . . . . 71.41 110.113 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 77' ' ' LYS . 1.2 tt -60.26 -37.86 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.487 -0.779 . . . . 72.31 110.127 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.86 63.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 71.34 110.985 -175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 64.3 mttm -69.02 -22.2 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 64.44 111.317 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 m -69.62 -29.54 67.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.834 0.35 . . . . 52.32 110.46 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.9 t -87.73 -51.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.4 110.061 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 42.5 t -139.13 124.6 19.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.897 -0.592 . . . . 72.2 110.417 -177.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.48 45.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.09 -0.505 . . . . 61.23 110.865 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 29.17 11.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.965 -0.636 . . . . 72.41 112.264 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.09 128.47 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.198 0.523 . . . . 74.5 110.738 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 8' ' ' ILE . 39.6 mt-10 -99.0 125.71 44.53 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.254 -0.647 . . . . 73.55 109.254 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.2 p90 -136.43 154.89 50.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.602 0.715 . . . . 71.21 111.598 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 14.0 m120 -122.57 167.65 13.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.534 -1.212 . . . . 74.21 108.086 172.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 60' ' ' THR . 13.6 p -156.15 146.14 12.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.112 -0.235 . . . . 72.12 110.414 -178.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.7 p -75.84 -166.62 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 65.52 110.696 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -92.47 132.33 36.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.116 0.484 . . . . 63.1 110.741 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.76 118.4 28.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.717 -0.845 . . . . 74.23 108.717 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 p -130.05 -170.05 2.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.57 . . . . 74.24 111.616 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.51 -32.55 66.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.392 -0.822 . . . . 73.23 111.342 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -102.9 -0.86 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.684 -0.689 . . . . 75.23 112.371 -173.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -74.84 103.89 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.249 0.547 . . . . 71.45 111.457 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -90.86 -8.17 50.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.488 -0.93 . . . . 73.54 108.488 170.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -143.29 138.64 29.7 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.607 -1.178 . . . . 64.43 110.329 -177.672 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -130.25 140.03 50.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.147 -0.479 . . . . 70.01 109.986 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 24.4 m -99.96 124.73 45.62 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.667 -0.697 . . . . 74.21 110.506 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -139.23 113.25 8.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.658 -0.497 . . . . 71.11 109.658 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.9 ptp180 -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.523 -0.471 . . . . 75.45 110.387 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -107.82 116.44 31.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.731 -0.668 . . . . 74.21 110.698 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -107.25 131.8 53.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.718 -0.674 . . . . 75.31 109.515 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 91.0 m-85 -107.38 174.28 5.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.695 0.283 . . . . 64.13 110.871 -176.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.34 -39.79 24.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.298 -0.41 . . . . 75.23 110.801 -174.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -122.61 156.47 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 35.2 110.393 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.3 m -64.47 -25.87 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.986 -0.552 . . . . 70.01 111.744 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.8 88.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 54.05 111.125 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 55.0 mt-10 -63.91 -31.27 72.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.065 0.459 . . . . 42.32 110.551 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -66.33 -46.73 75.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 71.33 110.553 178.065 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.53 -37.7 84.71 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.118 -0.492 . . . . 75.51 110.819 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HD3' ' A' ' 77' ' ' LYS . 83.2 mt -64.83 -47.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.836 -0.62 . . . . 71.3 110.732 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.76 -42.03 99.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.532 -0.304 . . . . 61.35 110.519 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 56.8 mm-40 -53.2 -53.34 52.06 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.347 0.594 . . . . 60.13 110.109 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.91 -41.07 95.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.531 -0.759 . . . . 50.15 111.986 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HG2' HD21 ' A' ' 37' ' ' LEU . 5.6 mptp? -63.56 -50.82 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 73.52 111.33 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -64.22 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.657 -0.247 . . . . 75.33 111.619 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 95.1 mtt180 -59.94 -43.15 95.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.207 0.527 . . . . 74.02 111.006 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -78.7 -16.39 57.32 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.883 -0.599 . . . . 74.35 111.394 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 37' ' ' LEU . 11.4 tp -86.84 -41.05 14.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.222 0.534 . . . . 74.33 109.884 178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.48 79.9 2.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.549 -0.75 . . . . 63.12 109.146 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -58.99 106.77 0.45 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.156 -0.929 . . . . 72.41 111.715 -175.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.57 59.17 4.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.885 -1.052 . . . . 65.31 110.025 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.68 145.44 53.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.939 -1.028 . . . . 72.31 110.108 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -139.04 101.11 4.2 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 72.2 110.062 -177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -94.27 77.89 3.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.32 0.581 . . . . 73.02 110.416 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -89.98 55.31 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.333 -0.988 . . . . 71.24 108.333 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.3 m170 65.75 -85.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.139 -0.937 . . . . 61.4 110.439 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -166.04 120.98 1.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 63.21 110.841 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.253 -0.879 . . . . 74.42 109.183 175.502 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 109.761 -0.459 . . . . 73.299999999999997 109.761 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 62.4 mt -78.05 -66.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.162 -0.681 . . . . 71.140000000000001 109.162 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.54 134.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 71.230000000000004 109.726 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -102.6 -163.79 1.03 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.756 -0.656 . . . . 72.420000000000002 109.853 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.54 163.88 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.889 0.376 . . . . 71.010000000000005 110.318 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.48 -168.91 32.94 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.506 -0.854 . . . . 51.409999999999997 111.985 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.47 -27.16 16.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.147 0.499 . . . . 71.420000000000002 109.918 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 17.41 11.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 71.519999999999996 110.804 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 64' ' ' LYS . 24.2 t -105.51 125.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 71.430000000000007 110.417 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -134.35 125.57 27.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.525 0.202 . . . . 64.519999999999996 110.674 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 1.052 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 2.8 p30 -108.18 145.97 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.443 0.639 . . . . 71.329999999999998 111.896 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 134.86 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.993 -1.003 . . . . 73.340000000000003 109.096 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -110.82 110.64 21.34 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.547 -0.751 . . . . 52.450000000000003 109.831 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.67 144.95 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 73.510000000000005 110.441 -174.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -125.07 137.01 54.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.288 -0.415 . . . . 73.430000000000007 110.003 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.58 167.79 9.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.356 0.41 . . . . 62.119999999999997 110.594 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.75 -45.06 93.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.229 0.455 . . . . 65.239999999999995 112.229 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 p -124.3 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.096 0.474 . . . . 51.409999999999997 111.939 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.777 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 28.3 ttpp -65.16 -36.83 85.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.385 -0.825 . . . . 65.310000000000002 109.215 175.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.66 -46.71 67.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 74.329999999999998 111.294 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.06 88.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 61.210000000000001 110.474 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 24' ' ' LYS . 95.3 mt -57.27 -46.49 83.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.803 -0.635 . . . . 64.150000000000006 110.756 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.45 -37.75 88.48 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.064 -0.517 . . . . 63.210000000000001 111.434 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.1 m -62.2 -43.78 98.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.063 0.459 . . . . 74.400000000000006 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -43.81 62.37 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.937 -0.574 . . . . 65.400000000000006 110.789 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 61' ' ' ALA . 17.8 tp -57.47 -42.15 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 71.409999999999997 110.804 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.27 66.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 70.010000000000005 111.129 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 58.2 mmtt -76.07 -29.17 57.87 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.178 -0.465 . . . . 62.140000000000001 111.249 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.78 -41.66 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.961 -0.385 . . . . 75.019999999999996 109.961 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 31' ' ' LEU . 66.6 mt -61.65 -37.92 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.505 0.669 . . . . 73.329999999999998 109.975 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.05 -46.38 89.42 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.263 -0.88 . . . . 74.439999999999998 110.558 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 81' ' ' LEU . 1.2 tt -63.26 -37.13 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.83 -0.623 . . . . 74.340000000000003 109.853 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.91 82.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 70.019999999999996 110.824 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.57 -24.2 67.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 111.184 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 -29.33 61.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 54.409999999999997 110.299 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.75 -45.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 63.210000000000001 110.466 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 t -147.08 109.16 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 75.129999999999995 110.292 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.78 -28.87 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.393 . . . . 64.439999999999998 110.849 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.13 24.35 13.85 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.939 -0.573 . . . . 52.130000000000003 112.527 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB3' ' A' ' 63' ' ' PHE . 14.0 p -70.23 138.48 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.771 0.319 . . . . 65.310000000000002 110.539 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -114.32 133.7 55.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.965 -0.754 . . . . 71.430000000000007 108.965 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.1 p90 -140.78 149.04 41.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.111 0.481 . . . . 61.409999999999997 112.287 -174.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.577 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 14.5 m120 -124.11 167.21 14.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.253 -0.885 . . . . 75.530000000000001 109.109 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.44 153.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.203 -0.666 . . . . 73.519999999999996 109.203 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 m -62.97 174.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.766 0.317 . . . . 65.109999999999999 110.405 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -67.06 118.5 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.703 0.763 . . . . 74.430000000000007 110.254 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 94.8 mt -93.71 118.9 32.01 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.238 -0.892 . . . . 73.049999999999997 110.536 -175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -139.18 -170.58 2.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.727 -0.67 . . . . 71.150000000000006 109.937 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.74 -22.22 56.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.876 0.369 . . . . 74.120000000000005 110.083 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -103.2 12.59 35.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.668 0.618 . . . . 72.319999999999993 112.668 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -89.61 98.25 11.66 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.328 -0.549 . . . . 63.32 110.263 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 57' ' ' LYS . 3.7 mppt? -94.46 3.54 55.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.352 -0.981 . . . . 70.519999999999996 108.352 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -145.26 139.59 27.23 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.5 -1.227 . . . . 73.25 108.95 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 27' ' ' LEU . 1.9 pt? -145.37 148.62 33.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.044 0.45 . . . . 75.540000000000006 110.405 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -121.79 106.04 10.92 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.641 -0.709 . . . . 70.319999999999993 110.04 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' A' ' 31' ' ' LEU . . . -110.58 123.37 49.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.113 -0.494 . . . . 71.209999999999994 110.27 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 1.052 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -110.82 127.89 55.56 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.297 0.57 . . . . 75.409999999999997 111.951 -177.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.417 ' HB3' HG21 ' A' ' 45' ' ' VAL . 58.8 m-85 -102.98 119.54 39.03 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.56 -1.2 . . . . 72.439999999999998 109.061 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -100.43 137.93 38.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.33 -0.619 . . . . 64.329999999999998 109.33 174.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 94.2 m-85 -109.88 -172.68 2.09 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.466 -0.788 . . . . 71.010000000000005 110.082 -174.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.03 -37.79 21.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.077 0.465 . . . . 75.340000000000003 110.234 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.9 m -131.39 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.013 -0.539 . . . . 75.450000000000003 110.555 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.1 m -66.18 -20.16 66.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 74.209999999999994 111.332 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -65.31 -39.21 92.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 53.450000000000003 110.55 177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 62.1 mt-10 -65.75 -33.81 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 74.430000000000007 110.633 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 26.0 ttpp -59.22 -56.05 27.13 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.769 -0.65 . . . . 74.109999999999999 109.539 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -54.04 -45.19 71.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.402 -1.272 . . . . 73.019999999999996 111.336 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 69' ' ' ALA . 89.3 mt -59.32 -45.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 71.299999999999997 110.813 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.49 -42.14 98.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 70.5 110.374 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 46.2 mt-10 -64.05 -40.69 96.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 110.694 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -44.55 89.2 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.504 -0.316 . . . . 65.340000000000003 111.506 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.37 -40.0 81.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.604 -0.271 . . . . 61.119999999999997 111.625 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 10.7 p -65.5 -21.84 66.66 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 121.046 -0.262 . . . . 61.119999999999997 111.565 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 79' ' ' ARG . 29.4 mmt180 -60.52 -43.89 96.64 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.742 0.306 . . . . 72.25 111.382 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -80.86 -13.36 59.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.897 0.38 . . . . 73.400000000000006 111.731 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 37' ' ' LEU . 11.7 tp . . . . . 0 N--CA 1.446 -0.64 0 CA-C-N 116.282 -0.417 . . . . 74.430000000000007 111.049 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 . . . . . 0 C--O 1.236 0.389 0 N-CA-C 109.185 -0.672 . . . . 74.230000000000004 109.185 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.415 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 39.4 mm -79.38 -58.3 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.849 0.356 . . . . 71.129999999999995 110.704 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.62 137.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 74.530000000000001 111.33 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 24.8 pttt -106.22 -169.7 1.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 61.520000000000003 110.67 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -67.82 163.34 22.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.471 -0.331 . . . . 73.200000000000003 111.3 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.74 172.26 39.62 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.441 -0.664 . . . . 75.120000000000005 111.441 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -76.86 -27.89 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 42.219999999999999 111.214 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.12 4.14 46.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.024 -0.535 . . . . 52.399999999999999 110.59 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.38 120.46 58.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.991 -0.549 . . . . 60.310000000000002 110.455 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.853 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -113.75 104.59 12.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.202 -0.453 . . . . 74.239999999999995 110.179 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 1.012 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 4.8 p-10 -96.19 128.78 43.41 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 121.511 0.672 . . . . 74.040000000000006 110.159 174.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.05 133.47 60.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 114.727 -1.124 . . . . 63.119999999999997 109.511 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.6 m -97.91 113.48 25.32 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.465 -0.939 . . . . 65.349999999999994 108.465 174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 20.0 mt -96.11 136.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.348 -0.612 . . . . 74.409999999999997 109.348 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.05 127.57 55.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.57 -0.741 . . . . 74.439999999999998 109.94 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.83 179.45 6.23 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.529 -0.759 . . . . 51.229999999999997 109.817 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -74.19 -42.42 59.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.873 0.368 . . . . 72.209999999999994 110.519 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.3 p -137.25 171.18 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.389 -0.369 . . . . 61.539999999999999 111.535 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 tmpt? -57.32 -42.04 81.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.516 -0.766 . . . . 74.540000000000006 110.292 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.12 -46.94 81.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 75.140000000000001 111.323 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.42 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 64.439999999999998 110.171 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.3 tp -59.03 -46.94 86.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.69 -0.686 . . . . 73.400000000000006 110.269 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 52' ' ' LEU . 20.8 mt-10 -59.27 -41.66 89.39 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.76 -0.655 . . . . 74.200000000000003 111.613 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.6 t -59.51 -52.3 66.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.119 0.485 . . . . 63.200000000000003 110.45 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.45 -41.61 98.64 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.583 -0.735 . . . . 73.209999999999994 111.108 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . 24.9 tp -59.03 -48.52 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 74.319999999999993 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.08 -38.3 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.742 . . . . 53.399999999999999 111.265 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' SER . 94.5 mttt -64.7 -41.97 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 70.120000000000005 111.073 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -71.03 -34.27 71.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.454 . . . . 61.140000000000001 110.746 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -64.62 -41.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.132 0.492 . . . . 54.530000000000001 110.095 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.02 -42.78 94.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.84 -0.618 . . . . 52.32 110.616 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.7 -38.57 85.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 71.310000000000002 109.996 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.14 89.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.836 -0.62 . . . . 52.310000000000002 110.863 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.6 -21.98 65.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 41.530000000000001 111.283 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -76.71 -19.92 57.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 74.439999999999998 110.393 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.72 -50.23 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.998 0.427 . . . . 53.109999999999999 110.737 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.492 ' CB ' ' HD1' ' A' ' 65' ' ' PHE . 52.1 t -131.04 121.04 24.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.832 -0.622 . . . . 63.399999999999999 110.203 -173.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.9 -39.93 41.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 54.420000000000002 110.924 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.78 34.22 4.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.102 -0.57 . . . . 75.530000000000001 112.6 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.11 126.68 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.436 0.636 . . . . 74.140000000000001 111.145 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' A' ' 64' ' ' LYS . 10.1 pt-20 -110.35 127.04 54.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.957 -0.757 . . . . 64.409999999999997 108.957 175.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 38.1 p90 -137.78 153.77 49.64 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.346 -0.542 . . . . 73.140000000000001 112.208 -170.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.415 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 13.2 m120 -124.78 167.18 14.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.01 -0.995 . . . . 70.219999999999999 108.581 170.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' THR . 8.3 p -161.77 145.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.277 -0.42 . . . . 64.099999999999994 110.502 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 152.99 28.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.566 -0.531 . . . . 73.319999999999993 109.566 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.2 pm0 -81.0 124.89 29.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.43 0.634 . . . . 64.109999999999999 109.67 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.692 ' H ' HD23 ' A' ' 52' ' ' LEU . 2.3 pt? -93.45 115.31 27.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.4 -0.818 . . . . 55.25 110.174 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -106.82 -172.29 2.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 64.439999999999998 109.436 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 53' ' ' THR . 7.7 mm-40 -59.02 -36.05 74.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.024 0.44 . . . . 73.25 111.563 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.28 2.49 55.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 71.420000000000002 112.153 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 m -91.87 102.82 15.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.06 0.457 . . . . 74.310000000000002 111.064 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 10.52 40.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.482 0.658 . . . . 73.120000000000005 109.652 173.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -147.73 154.34 40.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.9 -1.045 . . . . 72.420000000000002 109.463 174.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.56 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pt? -154.41 148.54 25.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.157 -0.312 . . . . 73.430000000000007 110.157 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 62.8 m -106.05 110.74 23.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.22 -0.445 . . . . 73.140000000000001 110.765 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.59 126.47 54.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.605 . . . . 55.130000000000003 110.33 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 1.012 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -116.48 118.66 33.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.163 0.506 . . . . 75.349999999999994 111.333 177.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.473 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 36.0 m-85 -97.68 119.3 36.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.021 -0.99 . . . . 72.340000000000003 109.388 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HB3' ' HG3' ' A' ' 46' ' ' GLU . 48.5 tttm -92.22 114.97 27.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.389 -0.597 . . . . 71.439999999999998 109.389 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 63.1 m-85 -90.33 179.49 5.87 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.663 -0.699 . . . . 63.240000000000002 109.929 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.5 -58.95 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.48 0.657 . . . . 61.43 109.912 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.41 -174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.217 -0.901 . . . . 73.109999999999999 110.073 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 m -65.77 -30.71 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.411 . . . . 53.439999999999998 111.093 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -57.92 -49.07 78.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.531 -0.759 . . . . 64.540000000000006 111.424 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 4.7 mm-40 -61.83 -37.56 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 74.540000000000006 110.156 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.853 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -62.98 -49.3 75.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 74.450000000000003 110.224 -178.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.3 mt -62.05 -44.82 95.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 75.549999999999997 111.281 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 69' ' ' ALA . 43.6 mm -59.99 -42.23 88.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.936 0.398 . . . . 70.510000000000005 110.962 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.24 -47.69 84.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 74.340000000000003 110.319 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 30.8 mt-10 -62.62 -38.33 89.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 72.450000000000003 111.236 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 80.4 mt -59.44 -43.39 93.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.997 0.427 . . . . 55.340000000000003 110.869 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.47 -42.94 77.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 70.420000000000002 111.015 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 32.6 p -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.023 -0.271 . . . . 71.030000000000001 111.619 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -58.81 -43.83 90.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.068 0.461 . . . . 71.010000000000005 111.098 176.499 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.5 m -78.76 -17.3 56.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.893 -0.594 . . . . 73.010000000000005 111.453 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.446 -0.671 0 CA-C-N 116.133 -0.485 . . . . 72.219999999999999 110.413 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.943 0.401 . . . . 72.549999999999997 111.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.62 -47.2 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.15 -0.685 . . . . 75.040000000000006 109.15 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.427 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 69.0 mt -94.98 128.09 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 74.340000000000003 109.49 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -106.26 -173.47 2.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 63.539999999999999 110.619 -175.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.47 167.72 12.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 64.209999999999994 110.96 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.03 -172.92 45.16 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.427 -0.892 . . . . 74.310000000000002 112.271 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.13 -27.94 35.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.506 0.67 . . . . 73.329999999999998 110.013 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 15.15 24.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 54.119999999999997 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG22 ' HG3' ' A' ' 64' ' ' LYS . 21.5 t -118.74 140.55 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 61.439999999999998 110.7 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.83 139.69 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 74.209999999999994 111.019 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -97.27 139.44 33.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.082 0.468 . . . . 73.120000000000005 110.761 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.95 135.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 75.040000000000006 108.903 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 m -134.3 119.62 18.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.826 0.346 . . . . 64.109999999999999 110.503 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 3.4 mp -106.03 143.18 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.708 -0.479 . . . . 62.109999999999999 109.708 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 23.3 p90 -135.16 143.13 46.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.189 -0.459 . . . . 63.530000000000001 110.436 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.25 178.59 6.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.911 -0.586 . . . . 63.420000000000002 110.02 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.501 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 5.6 mm-40 -81.87 -36.09 28.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.0 0.37 . . . . 70.230000000000004 112.0 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.3 p -109.36 142.26 40.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 75.340000000000003 111.155 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.55 -36.29 73.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.151 0.501 . . . . 74.25 109.773 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.92 -44.17 78.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.218 -0.901 . . . . 72.430000000000007 111.143 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.9 97.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.719 0.295 . . . . 53.340000000000003 110.639 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.2 mp -56.26 -55.08 37.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.778 -0.646 . . . . 43.219999999999999 110.177 173.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.87 -39.49 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.451 -0.795 . . . . 71.219999999999999 111.756 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 42.4 m -66.36 -47.52 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.726 0.298 . . . . 71.310000000000002 111.41 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 71.439999999999998 110.179 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 59' ' ' LEU . 2.3 tm? -59.54 -45.48 91.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 74.540000000000006 110.064 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.91 73.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.469 -0.787 . . . . 72.129999999999995 111.331 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' SER . 92.7 mttt -61.26 -44.83 96.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.101 0.477 . . . . 74.5 110.566 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -69.07 -36.85 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 74.010000000000005 111.13 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.7 mt -66.62 -39.97 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.452 . . . . 73.209999999999994 110.125 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.12 -40.31 95.91 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.964 -0.562 . . . . 73.319999999999993 111.026 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -66.5 -38.16 86.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.981 -0.554 . . . . 70.420000000000002 109.543 175.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.3 91.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 65.219999999999999 111.068 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.45 -0.341 . . . . 74.209999999999994 111.113 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -73.78 -33.71 64.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.963 0.411 . . . . 62.43 110.13 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.56 -39.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.51 . . . . 72.349999999999994 110.952 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 49.0 t -130.46 126.19 36.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.058 0.456 . . . . 65.150000000000006 110.355 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.66 22.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.663 -0.698 . . . . 63.530000000000001 110.974 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.94 52.18 0.67 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.776 -0.726 . . . . 75.430000000000007 112.698 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.2 p -73.66 125.78 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.142 0.496 . . . . 53.340000000000003 110.642 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.39 119.2 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.402 -0.592 . . . . 74.040000000000006 109.402 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 14.9 p90 -130.79 142.22 50.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.44 0.638 . . . . 61.539999999999999 112.238 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.84 167.2 10.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.234 -0.894 . . . . 65.540000000000006 109.196 171.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.53 147.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.86 -0.609 . . . . 73.400000000000006 109.364 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -70.4 167.33 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.805 -0.443 . . . . 70.450000000000003 109.805 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.52 129.64 34.96 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.109 0.48 . . . . 64.299999999999997 110.455 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -83.6 123.54 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 71.019999999999996 110.453 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 p -121.13 -177.79 3.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.748 -0.66 . . . . 70.310000000000002 110.264 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.22 -36.21 69.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.122 0.487 . . . . 73.219999999999999 111.162 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.13 -7.97 31.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 54.219999999999999 112.71 -171.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 116.78 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.358 0.599 . . . . 71.209999999999994 112.441 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 5.5 mptp? -88.5 -22.22 23.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 64.409999999999997 110.302 173.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -131.97 158.73 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 70.310000000000002 111.253 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.578 HD11 ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt? -146.78 140.47 25.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 74.420000000000002 109.848 173.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.0 m -104.08 118.67 37.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.09 -0.504 . . . . 65.120000000000005 110.769 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.54 122.99 49.1 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.698 -0.683 . . . . 63.119999999999997 109.299 176.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 42.8 ttm180 -108.11 116.38 31.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.11 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.5 113.4 26.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 75.439999999999998 111.141 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 14' ' ' VAL . 33.1 tttm -97.37 120.99 38.74 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 71.010000000000005 109.377 171.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 77.0 m-85 -93.75 -176.76 4.15 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.695 -0.483 . . . . 74.120000000000005 109.695 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -93.71 -36.16 12.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.028 0.442 . . . . 74.319999999999993 110.154 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -127.24 150.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 44.130000000000003 109.16 172.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 m -71.62 -12.29 61.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.057 0.456 . . . . 71.040000000000006 111.133 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 35.240000000000002 110.019 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 61.1 mt-10 -59.21 -35.47 73.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 75.420000000000002 110.152 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 24.0 ttpp -59.04 -57.65 12.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.392 -0.822 . . . . 72.140000000000001 110.007 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.76 -45.21 74.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.753 -1.112 . . . . 62.219999999999999 111.309 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.1 mt -59.15 -45.35 92.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.757 0.313 . . . . 74.099999999999994 110.969 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 37' ' ' LEU . 84.6 t80 -65.2 -43.87 90.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.468 . . . . 63.240000000000002 110.556 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 44.8 mt-10 -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 72.049999999999997 110.748 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.42 -43.3 97.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.29 -0.414 . . . . 63.32 111.787 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -72.92 -36.83 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.553 -0.294 . . . . 74.319999999999993 111.694 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.8 p -70.24 -35.22 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.764 -0.198 . . . . 60.100000000000001 111.22 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 92.4 mtt180 -56.22 -44.5 79.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.965 0.412 . . . . 61.340000000000003 111.38 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -80.7 -19.31 45.41 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.038 -0.528 . . . . 60.219999999999999 112.235 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.025 0.44 . . . . 73.049999999999997 111.249 -176.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.052 -0.351 . . . . 74.420000000000002 110.052 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.75 -53.26 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 72.129999999999995 109.431 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.7 mt -89.42 126.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 53.219999999999999 109.741 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 55.7 mtmt -96.0 -177.83 4.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.08 -0.509 . . . . 65.030000000000001 110.726 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.75 168.18 9.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.405 0.622 . . . . 72.200000000000003 112.205 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.35 177.86 40.25 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.304 -0.862 . . . . 53.32 111.343 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.93 -17.44 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.766 0.317 . . . . 50.450000000000003 111.758 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -101.65 3.33 39.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.122 0.487 . . . . 74.319999999999993 109.894 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.36 136.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 73.340000000000003 111.318 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -131.53 109.98 10.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 72.239999999999995 109.735 174.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.92 134.98 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.231 0.538 . . . . 73.219999999999999 110.606 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.2 p -141.04 153.38 20.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.504 -0.771 . . . . 50.229999999999997 111.165 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.0 m -134.19 127.05 31.18 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.564 -0.744 . . . . 65.420000000000002 109.752 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 27.2 mt -98.59 142.51 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.635 -0.506 . . . . 73.120000000000005 109.635 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -126.63 140.03 52.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.754 0.311 . . . . 63.420000000000002 110.648 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.61 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -173.78 157.03 2.98 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.964 -0.754 . . . . 54.149999999999999 108.964 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 70.9 mm-40 -74.2 -23.22 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.171 0.434 . . . . 73.450000000000003 112.171 -174.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -114.6 139.92 49.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.508 -0.477 . . . . 70.140000000000001 111.014 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 53' ' ' THR . 26.4 ttpp -62.35 -34.65 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.421 0.629 . . . . 61.020000000000003 109.711 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.73 -38.21 81.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.197 -0.91 . . . . 55.240000000000002 110.599 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.38 83.55 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.077 -0.342 . . . . 72.549999999999997 110.077 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 21' ' ' ALA . 9.9 mp -55.72 -55.72 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.664 . . . . 72.430000000000007 110.112 173.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -41.18 98.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.499 -0.773 . . . . 74.420000000000002 111.955 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -65.63 -43.45 89.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.587 0.232 . . . . 63.310000000000002 111.589 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 17.3 tt0 -76.32 -34.38 59.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.836 0.35 . . . . 74.430000000000007 110.163 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.3 tp -52.57 -47.97 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.852 -0.613 . . . . 74.299999999999997 110.524 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.95 -35.91 64.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.24 -0.891 . . . . 52.310000000000002 111.31 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.34 -44.16 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.209 0.528 . . . . 74.150000000000006 110.341 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.1 m-85 -65.89 -37.88 87.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.492 -0.777 . . . . 60.100000000000001 110.727 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 31' ' ' LEU . 75.1 mt -63.27 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 73.099999999999994 110.549 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.85 -44.68 92.41 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.117 0.484 . . . . 72.420000000000002 110.098 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -63.16 -32.87 74.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.91 -0.587 . . . . 73.329999999999998 111.033 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 53.310000000000002 110.483 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -70.76 -25.36 62.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 75.200000000000003 110.912 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 t -66.57 -41.55 88.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 74.549999999999997 109.768 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 66.0 t -79.26 -52.97 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 61.119999999999997 110.697 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.4 t -128.45 118.95 23.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.182 0.515 . . . . 71.329999999999998 110.693 -175.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.04 79.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 53.329999999999998 111.115 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.75 33.04 6.71 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.479 -0.867 . . . . 65.129999999999995 112.567 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -62.82 127.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.191 0.519 . . . . 64.430000000000007 111.258 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.42 135.5 38.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.61 -0.723 . . . . 62.539999999999999 109.225 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 8.5 p90 -143.82 139.57 29.39 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.56 0.695 . . . . 74.340000000000003 112.862 -176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 14.6 m120 -112.46 167.8 10.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.865 -1.161 . . . . 70.5 107.865 170.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -156.63 152.24 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 110.227 -0.286 . . . . 74.340000000000003 110.227 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -66.98 165.36 15.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.941 0.401 . . . . 75.530000000000001 110.304 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.32 129.4 34.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.132 -0.485 . . . . 72.329999999999998 109.84 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.97 125.6 29.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 71.439999999999998 110.75 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' A' ' 24' ' ' LYS . 24.8 p -116.8 -179.11 3.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.362 -0.607 . . . . 74.239999999999995 109.362 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -76.1 -30.29 58.2 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.883 -0.327 . . . . 65.519999999999996 111.784 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.6 25.5 11.73 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.876 0.324 . . . . 73.030000000000001 111.876 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -65.68 120.58 13.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 72.230000000000004 111.714 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.54 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 2.7 mptm? -107.01 -1.95 21.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.155 0.502 . . . . 73.25 109.995 169.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -149.24 154.79 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.727 -0.67 . . . . 73.219999999999999 110.611 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -152.12 140.38 20.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.847 -0.615 . . . . 73.209999999999994 109.369 170.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 m -105.57 128.48 53.63 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.884 -0.598 . . . . 53.409999999999997 110.114 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 117.85 31.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.933 -0.576 . . . . 50.530000000000001 110.14 -178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 17.7 tpp85 -95.89 114.16 25.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.478 -0.783 . . . . 73.329999999999998 109.623 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.4 m-85 -112.65 124.77 53.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.725 0.297 . . . . 62.530000000000001 111.305 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -115.79 123.87 49.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.241 -0.652 . . . . 73.540000000000006 109.241 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 85.3 m-85 -90.93 -176.03 4.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.766 -0.652 . . . . 74.420000000000002 110.281 -177.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -93.19 -28.11 16.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 121.152 0.501 . . . . 75.230000000000004 110.083 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -134.49 160.13 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.705 -0.679 . . . . 54.350000000000001 110.001 171.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.86 -23.78 64.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.008 0.432 . . . . 73.049999999999997 111.721 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.65 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.098 -0.501 . . . . 71.120000000000005 111.43 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 71.3 mt-10 -68.44 -29.24 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.409 -0.36 . . . . 63.329999999999998 110.777 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 61.8 tttp -56.25 -60.33 3.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.677 0.751 . . . . 74.25 109.709 173.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -51.94 -48.0 64.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.812 -1.54 . . . . 73.120000000000005 111.68 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.88 -45.64 94.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.801 0.334 . . . . 72.340000000000003 111.148 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.62 -42.81 86.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.345 -0.389 . . . . 65.420000000000002 110.466 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -64.2 -36.82 85.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.469 . . . . 51.109999999999999 110.994 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.68 -39.56 93.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.3 -0.409 . . . . 63.009999999999998 111.428 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -79.36 -32.74 43.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.769 0.285 . . . . 72.340000000000003 111.769 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 p -74.1 -29.35 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.0 -0.28 . . . . 70.140000000000001 111.573 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -55.32 -42.92 74.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.946 0.403 . . . . 63.240000000000002 111.841 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -65.45 -30.63 71.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.284 -0.416 . . . . 63.450000000000003 111.758 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.355 0.598 . . . . 70.120000000000005 109.631 179.136 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 N--CA 1.448 -0.568 0 N-CA-C 108.895 -0.78 . . . . 72.120000000000005 108.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mm -83.62 -33.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.589 0.709 . . . . 74.219999999999999 110.122 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 89.0 mt -94.83 124.91 47.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.349 -0.841 . . . . 71.430000000000007 111.433 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -104.06 -168.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.5 -0.773 . . . . 75.209999999999994 110.347 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.82 163.68 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.442 0.534 . . . . 72.010000000000005 112.442 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.61 -176.5 39.71 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.182 -0.767 . . . . 54.450000000000003 111.182 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.95 -30.44 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.654 0.74 . . . . 65.530000000000001 109.781 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -81.42 -5.02 57.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.961 -1.018 . . . . 72.25 109.941 177.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.66 138.05 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 73.409999999999997 111.098 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.92 113.4 7.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.74 -0.664 . . . . 70.340000000000003 109.692 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 4.5 p-10 -106.3 142.56 35.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.082 0.468 . . . . 72.120000000000005 110.893 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 t -124.7 132.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.557 -0.747 . . . . 63.520000000000003 109.697 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -104.88 110.7 23.17 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.289 -0.869 . . . . 71.25 110.042 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 12.4 mt -99.77 136.77 29.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.25 -0.432 . . . . 55.539999999999999 110.151 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -151.35 142.29 22.99 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.867 -0.606 . . . . 75.140000000000001 110.061 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.97 -166.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.163 -0.471 . . . . 53.329999999999998 110.226 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.81 -30.65 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 74.239999999999995 110.985 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -135.27 154.47 51.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 63.299999999999997 111.085 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 ttmp? -59.21 -34.2 71.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.823 -0.626 . . . . 70.120000000000005 110.854 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.37 -42.86 74.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 74.450000000000003 111.349 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.03 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 44.439999999999998 110.219 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD22 ' A' ' 59' ' ' LEU . 11.2 mp -58.36 -49.09 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.634 . . . . 74.340000000000003 110.507 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 49.0 mt-10 -60.24 -42.17 94.69 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.916 -0.584 . . . . 54.109999999999999 111.165 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.1 m -62.47 -52.28 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 54.229999999999997 110.969 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.77 -40.83 97.66 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.167 -0.47 . . . . 64.409999999999997 111.052 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.9 tp -57.79 -51.22 70.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.04 -0.527 . . . . 71.209999999999994 110.307 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.5 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.489 -0.778 . . . . 74.140000000000001 111.166 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.86 -41.03 97.88 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.29 -0.414 . . . . 72.010000000000005 111.134 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.01 -40.38 75.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.406 -0.361 . . . . 72.140000000000001 111.079 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.412 HG22 ' HE3' ' A' ' 39' ' ' LYS . 67.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 73.239999999999995 110.428 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.16 -46.75 89.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.106 -0.497 . . . . 73.219999999999999 110.308 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.05 -35.67 75.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 73.129999999999995 110.062 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.33 86.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.551 . . . . 64.219999999999999 110.712 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' HG22 ' A' ' 35' ' ' ILE . 85.5 mttt -69.47 -26.62 64.66 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.11 0.481 . . . . 71.219999999999999 110.5 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 t -69.06 -36.26 77.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 73.230000000000004 110.226 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -88.64 -42.22 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.400000000000006 111.387 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 65' ' ' PHE . 44.7 t -130.49 135.22 47.73 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.293 0.568 . . . . 71.310000000000002 110.289 -174.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.87 -44.17 20.95 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.466 -0.788 . . . . 72.430000000000007 111.093 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.56 60.03 0.35 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.997 -0.62 . . . . 60.340000000000003 111.947 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.06 131.97 37.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.842 0.353 . . . . 64.219999999999999 111.114 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.73 140.45 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.262 -0.644 . . . . 65.109999999999999 109.262 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 45.6 p90 -144.47 151.65 39.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.303 0.573 . . . . 72.349999999999994 111.388 177.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 13.1 m120 -120.96 161.63 21.28 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 75.319999999999993 109.437 175.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 59' ' ' LEU . 60.4 t -141.02 149.81 20.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.362 -0.835 . . . . 73.040000000000006 108.962 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 46.0 m -70.58 179.58 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 74.420000000000002 110.887 177.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.72 117.6 16.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 73.329999999999998 110.918 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.92 113.7 20.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 64.430000000000007 110.457 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 p -139.4 172.21 13.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.515 -0.766 . . . . 53.25 109.311 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -43.21 82.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 71.549999999999997 110.915 -178.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -106.48 46.45 0.92 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.152 0.426 . . . . 73.549999999999997 112.152 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -84.78 95.51 8.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.187 -1.042 . . . . 52.329999999999998 108.187 165.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -2.88 55.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.5 . . . . 65.040000000000006 109.873 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 156.51 18.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.493 -0.776 . . . . 63.039999999999999 110.044 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 HD23 ' A' ' 27' ' ' LEU . 2.5 pt? -152.2 148.99 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 110.045 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.6 m -113.21 115.2 27.85 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.069 -0.514 . . . . 74.209999999999994 110.166 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.39 113.42 26.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 70.439999999999998 110.001 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.583 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 24.3 mtp180 -98.7 116.41 30.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.243 -0.435 . . . . 75.450000000000003 109.952 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -103.15 126.62 50.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.153 0.283 . . . . 53.009999999999998 110.333 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -119.9 115.12 23.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.449 -0.574 . . . . 51.409999999999997 109.449 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HD2' ' CB ' ' A' ' 42' ' ' CYS . 71.4 m-85 -86.32 -173.65 4.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.655 -0.702 . . . . 63.310000000000002 110.572 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -81.22 -39.1 25.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.132 0.491 . . . . 65.019999999999996 110.036 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -135.07 161.65 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.7 -0.682 . . . . 61.409999999999997 110.453 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.7 m -65.65 -27.49 68.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.245 -0.434 . . . . 51.340000000000003 111.406 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.77 84.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 73.510000000000005 110.93 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 66.0 mt-10 -67.29 -35.06 78.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.606 . . . . 64.150000000000006 110.271 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.89 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.2 tmmm? -62.59 -51.26 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.502 -0.772 . . . . 53.210000000000001 109.665 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.8 mt -53.52 -47.07 70.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.971 . . . . 74.329999999999998 111.468 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.06 -44.13 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 64.310000000000002 111.018 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 74.230000000000004 110.549 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 6.9 mm-40 -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 74.120000000000005 110.674 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -39.38 91.35 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.213 -0.449 . . . . 75.150000000000006 111.788 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.46 -39.18 67.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.439 -0.346 . . . . 74.150000000000006 111.305 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.443 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 12.6 p -72.45 -21.3 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.922 0.342 . . . . 75.219999999999999 111.922 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 2.3 mmp_? -55.44 -50.59 69.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.839 0.352 . . . . 71.25 111.647 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -87.25 -12.17 47.5 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.389 -0.369 . . . . 73.239999999999995 111.652 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 15.8 tp . . . . . 0 N--CA 1.444 -0.746 0 CA-C-O 121.17 0.51 . . . . 55.509999999999998 109.731 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.944 0.402 . . . . 74.010000000000005 110.261 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.24 -46.81 9.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 107.612 -1.255 . . . . 71.200000000000003 107.612 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.2 mt -106.36 131.94 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.408 -1.269 . . . . 64.519999999999996 109.082 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -94.39 -177.49 4.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.38 -0.373 . . . . 72.349999999999994 110.494 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -59.09 163.49 3.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.329 0.585 . . . . 64.340000000000003 111.473 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.11 -177.03 47.79 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.02 -1.232 . . . . 73.5 110.02 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -30.36 66.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 117.141 0.47 . . . . 73.140000000000001 111.654 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 -0.32 23.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 111.249 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -103.92 121.53 55.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.003 -0.279 . . . . 62.539999999999999 110.998 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.742 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -115.05 111.97 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.621 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 19.7 t70 -88.83 136.42 33.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 74.150000000000006 110.381 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 145.79 35.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.886 -1.052 . . . . 73.230000000000004 109.695 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -130.42 110.39 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.114 0.483 . . . . 72.439999999999998 110.314 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.477 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 17.2 mt -100.62 141.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.847 -0.615 . . . . 72.200000000000003 110.0 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -142.55 151.94 42.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.375 -0.375 . . . . 54.130000000000003 110.493 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.03 -172.2 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 73.25 110.255 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -72.13 -35.83 69.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.133 0.419 . . . . 73.209999999999994 112.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -143.66 162.4 36.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 74.219999999999999 111.744 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 52' ' ' LEU . 76.8 tttt -58.71 -36.67 74.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 75.409999999999997 110.552 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -51.12 -44.02 61.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.235 -0.893 . . . . 74.129999999999995 111.137 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.92 -44.19 73.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 73.25 110.462 178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 59' ' ' LEU . 10.8 mp -53.78 -49.29 68.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.563 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.83 -36.16 71.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.339 -0.846 . . . . 73.439999999999998 111.504 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -76.7 -47.88 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 71.099999999999994 111.111 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 4.9 mm-40 -65.41 -39.69 92.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.218 -0.446 . . . . 65.400000000000006 111.268 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 59' ' ' LEU . 29.6 tp -55.87 -44.38 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.157 0.504 . . . . 75.140000000000001 110.418 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.27 70.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.24 -0.891 . . . . 70.430000000000007 111.118 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -66.79 -40.26 88.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.65 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -68.28 -40.55 81.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 75.209999999999994 111.183 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.36 -38.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.249 0.547 . . . . 72.030000000000001 109.889 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.42 -43.74 96.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.538 -0.756 . . . . 72.25 111.364 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 81' ' ' LEU . 75.4 mt -66.4 -34.17 77.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.437 . . . . 65.140000000000001 110.52 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 73.140000000000001 110.442 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.88 -32.31 71.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.921 -0.581 . . . . 74.150000000000006 110.894 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.3 t -65.93 -33.07 74.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.957 -0.565 . . . . 72.019999999999996 110.212 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -88.37 -49.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.006 -0.543 . . . . 75.109999999999999 111.27 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 38.0 t -128.79 129.68 45.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.327 0.584 . . . . 65.530000000000001 110.838 -172.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.72 -31.1 46.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.5 -0.773 . . . . 60.310000000000002 110.591 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.15 39.55 2.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.85 -0.69 . . . . 44.340000000000003 112.112 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.2 p -75.32 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 71.340000000000003 110.588 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -132.21 129.8 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.303 -0.629 . . . . 73.209999999999994 109.303 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -131.11 156.59 44.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 64.120000000000005 112.761 -170.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.7 167.32 11.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.701 -1.136 . . . . 74.349999999999994 108.667 171.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.75 148.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 109.995 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.8 m -70.22 173.21 6.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.851 0.358 . . . . 74.219999999999999 110.508 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.58 137.47 42.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.964 0.412 . . . . 73.230000000000004 110.695 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 96.3 mt -98.23 120.76 39.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 64.030000000000001 111.383 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -124.54 178.38 5.45 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 74.120000000000005 109.089 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.42 -11.91 59.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.062 0.458 . . . . 71.099999999999994 110.665 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -83.41 -14.03 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.748 -0.66 . . . . 63.240000000000002 110.498 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -72.44 122.35 21.1 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.947 -0.569 . . . . 64.140000000000001 111.048 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -121.61 7.5 10.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.645 -1.243 . . . . 72.420000000000002 107.645 175.186 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.79 140.59 16.1 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 113.639 -1.619 . . . . 65.209999999999994 109.245 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -143.97 153.28 42.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.959 0.409 . . . . 72.0 110.3 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.589 HG22 HH21 ' A' ' 62' ' ' ARG . 4.3 m -120.08 127.58 52.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.925 -0.58 . . . . 72.109999999999999 110.351 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.68 137.27 36.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 64.340000000000003 110.376 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.589 HH21 HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER -117.77 130.09 56.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.789 0.328 . . . . 65.420000000000002 110.657 -178.04 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -103.12 117.35 34.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.008 -0.542 . . . . 73.129999999999995 110.269 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.55 115.66 28.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 75.010000000000005 109.844 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -96.55 -164.67 1.18 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.677 -0.692 . . . . 72.129999999999995 109.43 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -95.76 -45.32 7.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.843 0.354 . . . . 72.540000000000006 110.984 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.15 164.29 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.583 -0.28 . . . . 74.430000000000007 111.624 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -65.53 -29.63 70.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.101 -0.5 . . . . 55.450000000000003 111.456 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.74 -35.04 78.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.602 -0.726 . . . . 75.140000000000001 111.524 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.36 -32.0 72.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 74.099999999999994 110.82 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.742 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 38.2 ttmt -58.4 -56.98 15.17 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.861 0.839 . . . . 62.5 109.51 172.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.29 -50.94 61.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.625 -1.625 . . . . 70.510000000000005 111.647 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.8 mt -57.88 -45.1 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.783 0.325 . . . . 74.120000000000005 111.131 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.52 -49.7 72.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.289 -0.414 . . . . 62.329999999999998 110.737 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 7.4 mm-40 -67.32 -28.35 67.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 62.100000000000001 112.239 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 76' ' ' LEU . 19.2 mt -65.25 -37.37 87.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.137 0.494 . . . . 63.130000000000003 110.179 174.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.52 -35.5 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 72.030000000000001 111.382 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.0 p -67.93 -29.56 68.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.895 0.379 . . . . 65.140000000000001 110.499 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 9.1 mmm180 -61.09 -47.34 86.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.28 -0.418 . . . . 73.409999999999997 111.328 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -81.26 -15.41 55.63 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.201 0.445 . . . . 75.420000000000002 112.201 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 121.003 0.43 . . . . 64.409999999999997 110.638 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 73.7 m-85 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.088 -0.338 . . . . 72.549999999999997 110.088 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.32 -56.17 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.595 -0.521 . . . . 74.439999999999998 109.595 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' A' ' 64' ' ' LYS . 67.2 mt -69.73 121.6 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 74.409999999999997 110.736 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -94.86 -173.83 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.639 -0.709 . . . . 61.009999999999998 110.509 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.1 164.34 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.357 0.599 . . . . 75.219999999999999 112.61 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.26 173.19 39.42 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.208 -1.157 . . . . 60.310000000000002 110.208 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.94 -18.91 45.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 117.396 0.598 . . . . 74.530000000000001 110.707 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.51 8.18 42.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.589 . . . . 71.519999999999996 110.567 175.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.65 120.79 61.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 74.329999999999998 110.774 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -125.84 120.55 30.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 61.439999999999998 110.191 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.915 ' HB3' ' HG3' ' A' ' 62' ' ' ARG . 9.3 p-10 -99.58 143.17 30.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.328 0.585 . . . . 73.439999999999998 110.868 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.12 130.64 71.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.303 -0.862 . . . . 61.340000000000003 109.737 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.5 m -113.18 116.12 29.32 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.545 -0.752 . . . . 72.150000000000006 109.678 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.7 mt -98.09 140.78 17.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.431 . . . . 74.25 109.878 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 23.8 m-85 -123.08 133.6 54.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.927 -0.579 . . . . 74.420000000000002 109.457 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -159.84 -176.81 5.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.723 0.297 . . . . 72.120000000000005 111.02 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.38 -25.55 20.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 64.549999999999997 110.989 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -130.5 154.27 47.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 72.329999999999998 111.092 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 31.8 ttpt -65.18 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.448 -0.575 . . . . 73.420000000000002 109.448 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.46 -44.68 80.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.336 -0.847 . . . . 63.329999999999998 110.658 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.77 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 64.019999999999996 110.639 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.669 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.3 mp -57.58 -53.14 61.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.085 -0.507 . . . . 54.32 110.393 174.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' OE1' ' HE3' ' A' ' 24' ' ' LYS . 47.4 mt-10 -61.4 -39.26 90.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.652 -0.703 . . . . 74.209999999999994 111.403 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.554 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m -67.09 -51.2 57.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.401 -0.363 . . . . 71.450000000000003 111.089 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -60.77 -40.91 94.28 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.984 0.421 . . . . 74.129999999999995 110.762 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 35' ' ' ILE . 22.5 tp -55.36 -49.02 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.647 -0.706 . . . . 72.109999999999999 110.427 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.07 66.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.617 -0.719 . . . . 65.340000000000003 111.801 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' SER . 68.0 mmtt -70.28 -40.11 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.116 0.484 . . . . 71.019999999999996 110.012 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -74.97 -32.49 61.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 74.319999999999993 110.574 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 31' ' ' LEU . 77.0 mt -62.71 -39.2 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.219999999999999 110.042 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.53 -46.14 91.19 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 116.253 -0.43 . . . . 75.409999999999997 110.132 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 81' ' ' LEU . 60.3 mt -55.16 -43.04 73.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 71.400000000000006 110.784 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.16 75.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.047 -0.524 . . . . 51.310000000000002 110.701 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -71.85 -23.51 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 75.230000000000004 111.339 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 t -76.17 -28.93 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.552 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.22 -38.28 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 65.549999999999997 111.467 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.679 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 1.8 p -145.52 145.76 31.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.176 0.512 . . . . 65.530000000000001 111.245 -173.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.15 14.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.513 -0.767 . . . . 73.019999999999996 110.76 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.16 29.11 5.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.103 -0.57 . . . . 70.109999999999999 112.842 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.2 p -91.81 132.38 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.971 0.415 . . . . 54.329999999999998 110.946 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.83 147.21 44.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.591 -0.892 . . . . 52.409999999999997 108.591 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' C ' HD22 ' A' ' 48' ' ' ASN . 12.6 p90 -137.15 141.75 42.23 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.706 0.765 . . . . 73.010000000000005 112.418 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -111.63 169.73 8.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.848 -1.069 . . . . 71.310000000000002 109.662 175.399 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.25 151.35 12.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.957 -0.565 . . . . 73.109999999999999 110.258 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -69.66 177.94 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 65.310000000000002 110.577 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -82.86 134.23 35.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.851 0.358 . . . . 73.129999999999995 110.274 179.24 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 6.5 mp -90.02 124.4 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.450000000000003 110.189 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p -125.84 -168.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 73.450000000000003 110.522 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.42 -41.2 80.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.06 0.457 . . . . 63.210000000000001 110.677 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -112.49 19.75 17.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.537 -0.756 . . . . 74.230000000000004 112.091 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -68.81 101.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.263 0.554 . . . . 43.020000000000003 111.229 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -104.79 6.43 33.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.446 -0.797 . . . . 72.540000000000006 109.897 175.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.677 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 47.6 mt-10 -142.56 140.39 31.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.077 -0.965 . . . . 64.319999999999993 109.666 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.669 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.9 pt? -148.02 145.66 28.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.954 0.407 . . . . 72.450000000000003 109.967 172.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 55.1 m -111.0 113.08 25.37 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.77 -0.65 . . . . 55.509999999999998 110.494 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.12 115.61 30.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.973 -0.558 . . . . 75.510000000000005 109.587 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.915 ' HG3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -100.78 115.53 30.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.934 -0.395 . . . . 74.319999999999993 109.934 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.3 m-85 -100.87 118.15 36.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 73.140000000000001 110.477 -176.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.581 ' HB2' HG21 ' A' ' 8' ' ' ILE . 13.7 tmtt? -101.7 107.66 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.312 -0.625 . . . . 73.219999999999999 109.312 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 78.3 m-85 -82.87 -172.93 4.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.755 . . . . 75.420000000000002 110.011 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -101.75 -42.95 5.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 120.785 0.326 . . . . 64.120000000000005 110.307 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.62 163.17 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 53.420000000000002 110.501 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -66.93 -26.54 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 60.530000000000001 111.815 -176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.9 72.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.503 . . . . 74.129999999999995 110.721 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.14 -41.51 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.318 0.58 . . . . 71.420000000000002 110.316 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 13.0 tmtt? -58.42 -55.9 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.813 -1.085 . . . . 71.230000000000004 110.616 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.18 -42.75 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.286 -0.87 . . . . 75.340000000000003 111.591 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 76' ' ' LEU . 76.5 mt -61.26 -39.06 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 73.420000000000002 110.975 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.42 -42.45 98.76 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.116 0.484 . . . . 70.010000000000005 110.272 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 35.4 mt-10 -68.69 -31.28 70.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 65.519999999999996 111.423 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 73' ' ' ILE . 90.2 mt -69.03 -48.84 61.91 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 120.924 0.392 . . . . 70.129999999999995 110.744 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 81' ' ' LEU . 68.3 mttm -61.5 -47.45 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 71.409999999999997 111.397 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.561 -0.29 . . . . 64.450000000000003 111.771 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 21.1 mtm180 -66.23 -43.98 85.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.691 0.256 . . . . 75.420000000000002 111.691 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.1 t -88.94 -34.48 16.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.599 0.238 . . . . 45.210000000000001 111.517 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.52 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.6 tp . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 63.32 110.424 -179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.666 -0.494 . . . . 73.310000000000002 109.666 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.613 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.4 mt -57.09 -56.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.94 0.4 . . . . 72.140000000000001 110.762 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.5 mt -93.92 137.07 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.338 -0.392 . . . . 73.109999999999999 109.955 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -87.53 -175.76 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 110.904 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.72 171.42 15.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.611 0.719 . . . . 73.120000000000005 112.097 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.02 167.91 20.36 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.237 -1.145 . . . . 63.420000000000002 110.237 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 68' ' ' SER . 34.7 t70 -75.14 -19.19 60.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.867 0.833 . . . . 74.230000000000004 110.302 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -87.42 -7.03 58.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.815 -0.63 . . . . 74.409999999999997 110.087 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.21 121.01 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.909 -0.587 . . . . 74.340000000000003 110.669 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.47 104.34 13.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.35 -0.386 . . . . 72.209999999999994 110.112 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.624 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 28.1 t70 -88.97 130.81 35.39 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.312 0.577 . . . . 40.039999999999999 109.75 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.1 139.61 45.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 114.995 -1.002 . . . . 61.439999999999998 110.534 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -112.97 112.29 23.64 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.883 -0.599 . . . . 54.420000000000002 109.925 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' HB ' HD21 ' A' ' 59' ' ' LEU . 34.3 mt -98.17 145.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.412 -0.588 . . . . 61.030000000000001 109.412 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.38 151.84 46.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.849 0.357 . . . . 60.140000000000001 111.215 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -172.69 172.49 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.778 -0.823 . . . . 75.549999999999997 108.778 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -80.2 -25.23 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.572 0.582 . . . . 74.530000000000001 112.572 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -126.76 147.85 49.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 65.120000000000005 111.84 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 53' ' ' THR . 59.5 tttm -56.09 -42.08 76.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.611 -0.722 . . . . 63.219999999999999 110.364 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.95 -44.63 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 70.25 111.207 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.84 96.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.139 -0.482 . . . . 72.099999999999994 110.736 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.659 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.2 mp -54.94 -54.15 46.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.214 0.531 . . . . 63.409999999999997 110.218 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.88 -41.95 98.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.237 -0.892 . . . . 75.099999999999994 111.714 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.3 m -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 62.210000000000001 111.497 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.468 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 34.1 tt0 -73.8 -42.71 60.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.899 0.38 . . . . 64.450000000000003 110.026 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 35' ' ' ILE . 26.2 tp -53.09 -46.07 68.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.63 -0.714 . . . . 70.239999999999995 110.667 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.18 65.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 41.229999999999997 111.59 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.6 mmtt -74.93 -35.55 62.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.699 0.285 . . . . 63.439999999999998 111.124 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 8.3 m-85 -67.29 -38.58 85.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.884 -0.413 . . . . 70.329999999999998 109.884 173.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -65.74 -38.68 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.24 -0.437 . . . . 65.329999999999998 110.186 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.4 -48.41 81.85 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.012 -0.54 . . . . 73.530000000000001 110.136 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.497 HD22 ' HD3' ' A' ' 77' ' ' LYS . 77.7 mt -63.79 -33.42 75.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.717 . . . . 74.409999999999997 110.587 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.1 -46.25 81.83 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.1 -0.5 . . . . 55.329999999999998 110.859 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.8 -30.84 71.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 70.340000000000003 111.129 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t -72.43 -27.58 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 54.439999999999998 110.286 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -94.77 -43.44 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.213 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.4 t -139.94 122.1 15.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.989 0.423 . . . . 50.009999999999998 110.641 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.56 58.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.471 . . . . 64.409999999999997 110.817 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.63 49.82 0.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.789 -0.719 . . . . 64.310000000000002 112.078 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 38' ' ' ALA . 6.6 p -90.55 118.73 36.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.3 0.571 . . . . 73.230000000000004 111.123 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.51 133.18 34.22 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.517 -0.549 . . . . 74.219999999999999 109.517 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 24.9 p90 -143.47 140.03 30.16 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.515 0.674 . . . . 52.5 112.286 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 12.1 m120 -110.43 167.36 10.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.996 -1.113 . . . . 74.219999999999999 107.996 173.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.25 159.49 3.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.902 -0.407 . . . . 63.219999999999999 109.902 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 m -67.7 170.6 7.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.858 -0.423 . . . . 72.140000000000001 109.858 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.04 133.22 34.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.059 0.457 . . . . 73.140000000000001 109.933 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.4 mt -89.9 138.2 31.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.111 -0.495 . . . . 72.010000000000005 110.666 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 23.1 p -129.1 178.93 6.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.837 -0.62 . . . . 74.109999999999999 109.513 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -55.83 -41.73 74.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.721 0.296 . . . . 54.420000000000002 111.757 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -122.25 36.39 4.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.106 0.41 . . . . 61.340000000000003 112.106 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 p -69.28 112.45 5.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.897 -0.721 . . . . 54.350000000000001 109.25 170.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -94.94 3.98 54.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 64.530000000000001 110.438 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -146.39 148.47 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 60.439999999999998 110.725 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.577 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.2 pt? -151.35 132.32 14.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.384 0.611 . . . . 74.409999999999997 109.728 170.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.427 HG22 HH21 ' A' ' 62' ' ' ARG . 18.4 m -107.08 115.48 30.26 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.363 -0.835 . . . . 74.540000000000006 109.905 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -120.96 129.24 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.863 -0.608 . . . . 73.310000000000002 110.555 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -107.33 117.29 33.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.442 . . . . 74.109999999999999 110.826 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.07 106.94 18.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.585 -0.734 . . . . 64.409999999999997 110.341 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 65' ' ' PHE . 10.7 tmtt? -93.6 119.7 32.96 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.576 -0.527 . . . . 73.209999999999994 109.576 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' HE2' ' A' ' 64' ' ' LYS . 86.3 m-85 -99.15 173.68 6.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.842 -0.617 . . . . 72.140000000000001 110.282 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -81.17 -36.66 29.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 72.549999999999997 110.459 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 35.6 m -129.17 155.76 41.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.096 -0.502 . . . . 61.310000000000002 110.042 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.424 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 1.4 m -65.51 -20.88 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 53.130000000000003 111.044 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.95 85.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.765 -0.652 . . . . 74.140000000000001 111.161 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 86.0 mt-10 -62.13 -33.68 74.94 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.022 0.439 . . . . 63.039999999999999 110.277 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -58.83 -54.24 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.731 . . . . 75.239999999999995 110.19 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 95.3 mt -57.27 -45.27 84.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.988 -1.005 . . . . 72.549999999999997 111.362 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.9 mt -60.03 -38.57 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.83 0.347 . . . . 73.420000000000002 110.891 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.32 -46.81 78.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.374 -0.375 . . . . 73.420000000000002 110.261 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.93 -30.96 71.25 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.028 -0.533 . . . . 62.539999999999999 111.072 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 63.7 mt -66.64 -41.63 87.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.021 0.439 . . . . 74.439999999999998 110.764 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.497 ' HD3' HD22 ' A' ' 37' ' ' LEU . 53.9 mttp -71.41 -40.5 70.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 62.100000000000001 111.217 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 p -63.68 -35.51 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.098 -0.241 . . . . 72.299999999999997 110.966 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -57.36 -44.54 84.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.859 0.361 . . . . 72.030000000000001 111.765 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 m -80.35 -34.75 36.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 112.629 0.603 . . . . 22.25 112.629 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.328 0.585 . . . . 32.039999999999999 110.338 -179.416 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 112.989 0.736 . . . . 72.420000000000002 112.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.432 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 58.6 mt -79.07 -59.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.461 -0.79 . . . . 75.209999999999994 110.727 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.569 HD13 ' HB2' ' A' ' 64' ' ' LYS . 81.9 mt -89.58 131.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 64.230000000000004 110.365 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -84.56 166.75 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 74.150000000000006 111.3 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.24 172.72 8.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 75.430000000000007 111.933 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.6 -145.64 9.18 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.697 -0.683 . . . . 63.530000000000001 111.503 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -118.34 -8.62 10.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.358 0.599 . . . . 72.430000000000007 110.007 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.6 -0.98 23.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.275 -0.875 . . . . 73.530000000000001 109.26 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -115.56 135.46 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 63.43 110.24 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.658 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -134.22 134.64 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.758 -0.46 . . . . 72.439999999999998 109.758 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -106.69 141.54 37.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.98 0.419 . . . . 71.400000000000006 110.687 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.53 125.41 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.694 -0.685 . . . . 71.329999999999998 110.045 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -108.93 110.87 22.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.413 -0.812 . . . . 52.530000000000001 109.59 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.3 mt -99.16 142.77 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.091 -0.504 . . . . 65.129999999999995 110.718 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.85 138.95 54.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.532 -0.758 . . . . 75.299999999999997 109.011 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.4 173.1 11.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.862 0.363 . . . . 62.32 111.138 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.76 -42.21 67.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.771 -0.649 . . . . 72.019999999999996 110.541 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -131.8 165.61 23.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 61.420000000000002 110.936 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.69 -45.36 85.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.61 -0.723 . . . . 71.239999999999995 110.789 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.55 -39.56 91.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 71.140000000000001 110.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.67 88.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 63.310000000000002 110.448 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.9 tp -57.59 -50.0 74.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.621 -0.718 . . . . 64.140000000000001 109.67 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.87 -40.66 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.834 -1.075 . . . . 73.0 111.454 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -63.13 -47.62 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 71.230000000000004 111.17 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -35.4 74.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.357 -0.383 . . . . 74.409999999999997 110.782 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -55.96 -50.53 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 74.230000000000004 110.343 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.22 63.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.138 -0.937 . . . . 71.450000000000003 111.531 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.14 -41.84 81.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.64 0.257 . . . . 72.150000000000006 110.628 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -68.63 -38.78 80.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 71.329999999999998 110.77 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.22 -43.37 96.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.162 0.506 . . . . 75.540000000000006 110.244 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 73.109999999999999 110.881 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.27 -38.17 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.766 -0.652 . . . . 75.219999999999999 110.25 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.71 65.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 73.340000000000003 111.198 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -69.92 -22.54 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.337 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t -73.58 -24.43 60.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.135 -0.484 . . . . 44.229999999999997 109.842 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -95.07 -47.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 31.550000000000001 110.941 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.646 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 6.3 p -134.47 134.1 41.14 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.076 0.465 . . . . 73.340000000000003 110.988 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 -24.4 21.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.673 -0.694 . . . . 73.329999999999998 110.283 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 50.02 1.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.949 -0.569 . . . . 70.310000000000002 111.871 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.646 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.5 p -104.66 132.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 65.219999999999999 111.445 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -104.65 134.14 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.884 -0.784 . . . . 74.450000000000003 108.884 171.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 20.6 p90 -130.67 138.72 50.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.514 0.673 . . . . 64.430000000000007 112.141 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.432 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 8.3 m120 -107.93 154.77 21.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.077 -0.965 . . . . 74.540000000000006 108.879 174.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.95 136.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 108.512 -0.921 . . . . 62.299999999999997 108.512 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.18 176.27 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.055 0.455 . . . . 61.420000000000002 111.021 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.65 139.47 37.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.936 -0.575 . . . . 62.329999999999998 110.253 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.43 145.02 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -130.42 -169.02 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.072 -0.344 . . . . 73.109999999999999 110.072 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.41 -38.44 89.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.993 0.425 . . . . 55.299999999999997 111.225 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -121.52 29.61 7.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.477 -0.329 . . . . 65.519999999999996 111.813 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.418 ' O ' HD22 ' A' ' 27' ' ' LEU . 1.7 p -65.97 98.29 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.208 0.528 . . . . 74.420000000000002 110.664 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -97.21 5.01 50.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.216 -0.902 . . . . 74.040000000000006 109.854 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -146.4 150.26 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 64.439999999999998 110.201 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.8 pt? -155.45 154.24 31.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.438 -0.579 . . . . 75.200000000000003 109.438 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 m -115.79 117.12 29.33 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.322 -0.399 . . . . 74.109999999999999 110.335 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.01 121.08 43.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.619 . . . . 70.530000000000001 110.591 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 tpp85 -100.47 115.38 29.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.849 -0.614 . . . . 70.439999999999998 109.796 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.69 119.0 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 61.140000000000001 111.44 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.569 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -102.14 103.48 14.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.761 -0.829 . . . . 74.239999999999995 108.761 176.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -84.82 160.25 20.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.637 -0.505 . . . . 74.450000000000003 109.637 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -55.29 10.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.477 -0.329 . . . . 53.310000000000002 110.266 -175.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.27 161.09 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.304 . . . . 52.329999999999998 110.88 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.0 m -62.18 -29.68 70.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 71.340000000000003 111.651 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.19 -43.06 99.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 54.409999999999997 111.223 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.63 -33.52 76.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 70.319999999999993 110.586 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.658 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -60.98 -52.82 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.511 -0.768 . . . . 74.430000000000007 109.624 176.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -58.05 -38.83 77.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.642 -1.163 . . . . 71.329999999999998 111.605 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.9 mt -60.89 -46.74 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.774 0.321 . . . . 73.319999999999993 110.986 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -58.8 -41.2 86.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 110.33 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 51.8 mt-10 -67.04 -42.8 84.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.811 -0.631 . . . . 71.140000000000001 110.83 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -58.42 -40.3 82.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 120.956 0.408 . . . . 61.399999999999999 110.943 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 50.5 mtpt -71.92 -36.49 69.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 74.239999999999995 111.317 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 4.6 p -75.97 -20.57 57.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.902 0.334 . . . . 64.340000000000003 111.902 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 7.4 mmp_? -57.28 -54.63 44.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.052 0.453 . . . . 70.219999999999999 110.528 176.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -74.62 -15.33 60.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.693 -0.685 . . . . 33.240000000000002 111.505 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 13.7 tp . . . . . 0 N--CA 1.443 -0.805 0 CA-C-O 121.047 0.451 . . . . 74.349999999999994 110.663 -179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 97.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.705 0.288 . . . . 75.310000000000002 110.815 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.0 -54.1 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 64.549999999999997 110.282 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 64' ' ' LYS . 91.5 mt -80.09 134.17 28.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.644 -0.707 . . . . 71.340000000000003 110.037 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 45.1 mtmt -82.29 173.77 11.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.85 -0.614 . . . . 61.439999999999998 111.061 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 168.81 9.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.942 -0.572 . . . . 55.219999999999999 110.412 172.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.05 171.35 31.18 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.59 -0.814 . . . . 34.219999999999999 112.611 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.11 -35.65 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.536 0.684 . . . . 71.129999999999995 110.918 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.64 13.29 28.79 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.082 -0.963 . . . . 72.439999999999998 110.981 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.95 133.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 51.5 110.8 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.36 113.69 7.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.381 -0.372 . . . . 40.409999999999997 110.151 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.595 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 3.4 p30 -98.05 133.9 41.89 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.532 0.682 . . . . 71.349999999999994 110.742 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.46 135.53 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.056 -0.975 . . . . 54.25 109.731 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 73.8 m -102.44 126.78 49.58 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.704 -0.68 . . . . 61.310000000000002 110.113 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 57.3 mt -98.82 142.8 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.28 -0.873 . . . . 74.120000000000005 110.052 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.13 134.52 47.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.934 -0.575 . . . . 73.25 109.936 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -161.81 -175.35 4.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.609 -0.723 . . . . 60.109999999999999 109.972 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.96 -34.21 20.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 111.779 0.289 . . . . 60.420000000000002 111.779 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -134.92 162.22 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.831 0.308 . . . . 75.420000000000002 111.831 -173.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 52' ' ' LEU . 79.1 tttt -54.61 -43.67 72.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.701 -0.681 . . . . 61.020000000000003 110.292 172.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -53.46 -49.23 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.903 -1.044 . . . . 75.420000000000002 111.196 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.02 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.494 . . . . 42.439999999999998 110.603 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.1 mp -55.2 -51.08 67.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.016 -0.538 . . . . 73.310000000000002 110.682 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -59.92 -38.98 83.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.945 -0.57 . . . . 54.520000000000003 111.333 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 m -63.9 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.078 0.466 . . . . 54.210000000000001 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.57 -36.8 73.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.968 -0.56 . . . . 64.329999999999998 111.342 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.74 -46.72 86.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 74.019999999999996 110.026 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.74 69.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.269 -0.878 . . . . 53.109999999999999 111.383 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -65.01 -45.94 83.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.811 0.338 . . . . 72.120000000000005 111.076 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.32 -43.71 93.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.591 . . . . 74.239999999999995 111.371 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.74 -41.53 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 75.430000000000007 110.325 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -46.14 89.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 75.209999999999994 110.384 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -58.97 -37.83 77.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.737 -0.665 . . . . 72.439999999999998 110.707 177.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.43 -46.11 64.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 43.25 110.621 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 98.6 mttt -67.47 -25.96 66.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 74.230000000000004 111.117 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -70.55 -24.94 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.52 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -94.25 -39.44 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.023 0.439 . . . . 73.230000000000004 110.414 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 3.5 p -145.96 129.17 16.68 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.123 -0.49 . . . . 72.450000000000003 110.998 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.1 -15.17 36.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.014 0.435 . . . . 42.240000000000002 110.585 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.35 34.72 5.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.942 -0.646 . . . . 62.409999999999997 111.984 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -85.01 135.16 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.066 0.46 . . . . 61.020000000000003 111.083 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -104.55 124.77 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.904 -0.776 . . . . 74.25 108.904 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -136.87 147.01 46.23 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.295 0.569 . . . . 63.0 111.832 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -121.36 155.73 34.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.266 -0.879 . . . . 72.129999999999995 109.062 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 50' ' ' SER . 48.5 t -147.09 141.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.442 -0.799 . . . . 74.420000000000002 108.891 -176.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.8 m -66.41 165.46 14.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 63.100000000000001 109.609 173.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.04 133.03 34.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.577 -0.527 . . . . 63.25 109.577 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB3' ' HG3' ' A' ' 24' ' ' LYS . 6.1 mp -94.49 133.39 38.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.725 -0.671 . . . . 65.219999999999999 110.886 -172.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 11.3 p -124.59 174.26 7.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.803 -0.635 . . . . 72.230000000000004 109.559 172.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.03 -31.92 61.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.079 0.466 . . . . 73.219999999999999 111.85 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.1 -4.65 58.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.699 -0.682 . . . . 74.319999999999993 112.372 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -75.88 116.21 16.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.071 0.462 . . . . 54.520000000000003 110.746 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -109.44 1.91 20.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.343 0.592 . . . . 55.32 109.661 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.56 154.07 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.152 -0.931 . . . . 73.030000000000001 110.119 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.636 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.0 152.86 23.27 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.602 -0.518 . . . . 71.510000000000005 109.602 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.448 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 42.0 m -114.52 119.81 38.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.098 0.475 . . . . 70.120000000000005 110.476 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.52 28.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.841 -0.618 . . . . 50.439999999999998 109.686 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.595 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 37.1 ttm180 -92.62 116.18 28.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.396 -0.365 . . . . 74.230000000000004 110.485 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.01 119.37 38.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 71.549999999999997 110.294 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.501 ' HB2' HG21 ' A' ' 8' ' ' ILE . 14.4 tmtt? -107.11 116.07 31.28 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.118 -0.697 . . . . 75.319999999999993 109.118 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -98.69 -176.78 3.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.664 -0.698 . . . . 61.100000000000001 110.664 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.07 -41.22 12.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 61.100000000000001 109.954 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 164.09 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 75.319999999999993 110.568 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.7 m -67.82 -23.64 65.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 72.209999999999994 111.2 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.97 -48.38 82.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.0 -0.545 . . . . 54.039999999999999 110.796 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.49 -40.59 91.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.092 0.472 . . . . 61.119999999999997 110.237 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 3.0 tmmm? -56.42 -53.23 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.975 . . . . 60.030000000000001 109.722 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.61 -48.57 81.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.894 -1.048 . . . . 72.349999999999994 111.76 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.7 mt -61.63 -42.9 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.623 -0.262 . . . . 70.120000000000005 111.557 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.88 -44.64 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 65.5 110.136 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.717 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 25.6 mm-40 -63.59 -40.59 97.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.779 -0.646 . . . . 60.43 111.566 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.98 -40.71 96.99 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.773 0.321 . . . . 73.299999999999997 111.173 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.72 -43.05 85.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.439999999999998 111.242 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 22.3 p -66.44 -23.82 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 71.299999999999997 111.96 -175.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 16.7 mmt85 -58.6 -44.39 89.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.002 0.429 . . . . 73.010000000000005 110.616 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 m -84.24 -28.96 26.88 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.089 -0.505 . . . . 74.329999999999998 111.301 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 12.0 tp . . . . . 0 N--CA 1.447 -0.593 0 CA-C-O 121.155 0.502 . . . . 41.240000000000002 110.86 -178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--O 1.236 0.343 0 CA-C-O 120.89 0.376 . . . . 75.140000000000001 110.151 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.4 mt -79.64 -36.22 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.524 . . . . 71.030000000000001 110.28 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -84.64 120.34 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.157 -0.474 . . . . 72.420000000000002 110.708 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' HG11 ' A' ' 14' ' ' VAL . 4.2 ttmp? -82.81 161.39 22.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.542 -0.754 . . . . 61.409999999999997 110.32 -178.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.08 170.43 9.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.73 0.412 . . . . 73.040000000000006 111.04 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.58 -174.73 42.66 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.803 -0.713 . . . . 70.450000000000003 112.142 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.01 -15.6 58.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.997 0.427 . . . . 74.519999999999996 110.676 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.71 14.04 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 74.510000000000005 110.418 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' ' 9' ' ' LYS . 47.4 t -130.07 138.27 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.793 -0.64 . . . . 74.439999999999998 111.027 -177.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.697 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -156.74 140.74 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.742 -0.466 . . . . 61.109999999999999 109.742 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.722 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 18.1 p30 -107.35 150.26 26.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.417 0.627 . . . . 62.439999999999998 110.818 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 t -121.27 133.11 68.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.374 -0.83 . . . . 50.420000000000002 109.528 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -104.93 110.79 23.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.463 -0.79 . . . . 72.439999999999998 109.555 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' HD21 ' A' ' 59' ' ' LEU . 22.4 mt -99.0 143.62 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.515 . . . . 62.329999999999998 110.613 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -128.46 140.6 51.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.684 -0.689 . . . . 74.329999999999998 109.351 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.765 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -155.53 -179.43 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.682 0.277 . . . . 74.120000000000005 111.069 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.84 -42.56 90.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 62.009999999999998 111.772 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.504 ' H ' ' HB3' ' A' ' 26' ' ' ALA . 24.3 p -146.18 169.74 18.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 72.430000000000007 111.796 -171.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -48.91 -50.81 33.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.509 -0.769 . . . . 62.32 111.086 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.05 -45.49 86.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.436 -0.802 . . . . 72.230000000000004 110.834 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 23' ' ' THR . . . -63.19 -37.77 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 62.420000000000002 111.101 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.7 mp -56.38 -53.94 51.47 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.118 -0.492 . . . . 71.120000000000005 110.127 174.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.37 -33.69 76.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 65.450000000000003 111.947 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -64.56 -46.59 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 53.009999999999998 110.959 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -71.47 -39.25 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 73.310000000000002 110.163 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.76 -45.41 85.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.729 -0.669 . . . . 75.439999999999998 110.434 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.53 -41.23 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.251 -0.886 . . . . 72.239999999999995 111.01 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.76 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 63.43 111.143 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.03 -36.43 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.46 -0.336 . . . . 73.120000000000005 110.681 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 72.3 mt -64.95 -40.99 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.22 0.533 . . . . 71.120000000000005 109.81 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -61.81 -43.3 99.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.359 -0.837 . . . . 73.230000000000004 111.108 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 64.049999999999997 109.954 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.07 76.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 51.340000000000003 110.701 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 4.1 mptp? -64.32 -28.83 69.98 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.241 -0.436 . . . . 70.420000000000002 110.757 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -68.82 -33.8 74.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.954 -0.566 . . . . 73.439999999999998 110.262 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -86.85 -43.35 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 73.099999999999994 111.335 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -148.4 137.0 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.098 0.475 . . . . 41.240000000000002 110.517 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.49 -10.06 56.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.982 -0.554 . . . . 62.409999999999997 110.788 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.09 34.59 4.77 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.948 -0.644 . . . . 64.409999999999997 112.098 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.58 126.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.323 0.582 . . . . 72.450000000000003 111.307 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.13 132.8 46.42 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.142 -0.688 . . . . 71.329999999999998 109.142 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 18.6 p90 -144.34 142.21 30.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.846 0.684 . . . . 72.409999999999997 112.846 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.99 160.74 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.853 -1.067 . . . . 65.549999999999997 108.125 170.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -145.52 137.97 20.74 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 109.322 -0.621 . . . . 63.200000000000003 109.322 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.92 147.07 30.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.912 -0.773 . . . . 54.530000000000001 108.912 173.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.05 146.1 30.8 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.484 -0.486 . . . . 62.240000000000002 110.073 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 149.78 29.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.783 -0.644 . . . . 74.349999999999994 110.883 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.65 -165.95 1.11 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.441 -0.8 . . . . 73.099999999999994 109.258 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.69 -53.92 19.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.908 -0.317 . . . . 72.209999999999994 111.14 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -109.52 28.25 8.73 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 72.420000000000002 111.866 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -65.02 120.28 12.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.293 0.568 . . . . 51.450000000000003 110.774 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -119.79 8.55 11.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.112 -0.949 . . . . 72.510000000000005 108.663 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.9 142.66 30.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.182 -1.372 . . . . 75.019999999999996 109.868 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.659 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.4 pt? -146.16 152.97 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.775 0.322 . . . . 73.510000000000005 110.136 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 m -116.99 115.52 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.356 -0.383 . . . . 71.340000000000003 110.695 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.16 114.84 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.998 -0.547 . . . . 52.420000000000002 110.708 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.722 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 22.1 tpp85 -92.96 115.4 28.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.915 -0.584 . . . . 71.319999999999993 109.782 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.35 138.12 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 73.25 111.486 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -129.21 133.58 47.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.661 -0.699 . . . . 71.420000000000002 109.85 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -109.37 -177.96 3.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 73.340000000000003 110.332 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.88 -52.1 8.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.502 . . . . 73.420000000000002 110.022 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.1 m -115.83 155.99 17.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.252 -0.431 . . . . 53.509999999999998 110.592 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -27.16 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 64.230000000000004 111.435 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -63.07 -45.1 93.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 72.510000000000005 110.911 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 56.7 mt-10 -60.09 -36.97 78.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.155 0.502 . . . . 71.239999999999995 110.748 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -62.14 -53.68 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 74.409999999999997 109.652 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 92.3 mt -60.35 -43.12 96.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.185 -0.916 . . . . 72.040000000000006 111.525 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 69' ' ' ALA . 35.3 mm -60.91 -40.91 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 71.109999999999999 110.975 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 75.5 110.084 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.93 -39.54 94.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 62.119999999999997 110.791 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 82.4 mt -66.94 -43.97 81.81 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.079 -0.51 . . . . 33.240000000000002 111.506 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.74 -34.68 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.433 -0.349 . . . . 75.150000000000006 111.753 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 p -68.6 -29.16 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.943 -0.303 . . . . 74.349999999999994 110.795 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.9 mmt180 -59.58 -43.69 93.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.874 0.369 . . . . 72.239999999999995 111.102 175.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 m -76.06 -17.81 59.48 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.104 -0.498 . . . . 52.119999999999997 111.544 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 N--CA 1.444 -0.761 0 CA-C-O 121.385 0.612 . . . . 50.310000000000002 110.458 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.747 0.308 . . . . 73.420000000000002 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.0 -50.92 78.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.704 -0.68 . . . . 72.439999999999998 110.709 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.2 132.06 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 72.530000000000001 110.624 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -80.49 -175.86 5.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 72.140000000000001 110.657 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.89 177.24 8.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.964 0.411 . . . . 72.409999999999997 110.853 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.41 166.44 24.4 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.95 -0.643 . . . . 71.010000000000005 111.703 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.95 -14.42 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.066 0.46 . . . . 73.5 110.204 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -96.96 -4.67 39.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.515 0.674 . . . . 61.420000000000002 109.489 176.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -93.83 123.65 46.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 75.439999999999998 110.269 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 65' ' ' PHE . . . -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 35.450000000000003 110.261 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -88.42 129.38 35.44 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.177 -0.675 . . . . 73.299999999999997 109.177 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.94 138.58 53.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 121.297 0.57 . . . . 62.310000000000002 110.114 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 m -124.78 110.21 14.05 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.762 -0.653 . . . . 75.299999999999997 109.465 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -98.4 136.49 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.199 -0.667 . . . . 63.32 109.199 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -135.03 139.7 45.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.029 0.442 . . . . 74.129999999999995 111.34 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -166.64 170.01 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.176 -0.92 . . . . 54.32 108.784 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 67.9 mm-40 -86.28 -12.05 50.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.751 0.648 . . . . 74.140000000000001 112.751 -174.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.8 p -123.72 143.35 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.957 -0.297 . . . . 71.430000000000007 110.57 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.17 -35.21 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.37 0.605 . . . . 65.549999999999997 109.403 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.748 -1.114 . . . . 75.400000000000006 111.035 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.26 96.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.723 0.296 . . . . 40.399999999999999 110.601 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.3 mp -55.12 -48.95 72.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 73.310000000000002 110.359 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.75 -29.32 69.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.68 . . . . 72.230000000000004 111.697 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.7 m -77.19 -50.3 13.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 63.009999999999998 111.089 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -64.65 -38.6 91.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.279 -0.419 . . . . 53.210000000000001 111.054 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.0 -45.46 82.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.108 0.48 . . . . 71.409999999999997 110.419 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.96 -38.79 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.199 -0.909 . . . . 54.119999999999997 111.228 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.71 -38.93 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 75.109999999999999 111.354 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 59.0 m-85 -68.63 -38.64 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.453 -0.34 . . . . 72.540000000000006 110.392 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.04 -40.76 90.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 65.450000000000003 109.991 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -57.9 -48.88 78.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.742 -0.663 . . . . 63.299999999999997 111.1 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.47 -26.73 63.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.73 -0.668 . . . . 63.229999999999997 111.355 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.43 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 45.509999999999998 110.379 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 46.6 mtmt -64.28 -29.82 70.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.688 -0.687 . . . . 75.230000000000004 110.028 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -61.53 -34.77 76.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.202 -0.908 . . . . 74.420000000000002 110.417 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.57 -53.98 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.937 -0.574 . . . . 65.5 110.23 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 10.4 p -143.07 141.17 31.2 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.083 0.468 . . . . 51.43 110.713 -174.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.47 -25.17 22.75 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.694 -0.684 . . . . 72.040000000000006 110.091 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.83 44.62 2.53 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.743 -0.662 . . . . 73.209999999999994 112.366 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -98.16 122.82 50.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.018 0.437 . . . . 75.200000000000003 110.665 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.3 135.38 36.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.257 -0.646 . . . . 73.109999999999999 109.257 175.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 38.3 p90 -143.17 145.28 32.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.838 0.827 . . . . 63.039999999999999 112.325 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.94 167.12 12.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.759 -1.109 . . . . 75.310000000000002 108.337 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.78 152.83 5.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.932 -0.396 . . . . 65.540000000000006 109.932 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.74 161.64 27.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.7 -0.481 . . . . 60.210000000000001 109.7 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.64 133.16 34.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.072 0.463 . . . . 52.32 109.773 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 52' ' ' LEU . 3.2 mm? -69.37 117.83 11.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 75.140000000000001 110.811 -177.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 p -91.09 -170.68 2.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.759 -0.655 . . . . 70.120000000000005 109.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.7 -34.01 64.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.864 0.32 . . . . 74.430000000000007 111.864 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -131.98 39.0 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.891 0.33 . . . . 73.030000000000001 111.891 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -65.97 113.84 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 51.049999999999997 110.359 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 35.1 mmtp -84.06 -21.31 31.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 73.140000000000001 109.839 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.24 145.88 30.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 72.329999999999998 110.431 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 59' ' ' LEU . 2.4 pt? -131.55 146.8 52.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.802 -0.635 . . . . 73.219999999999999 109.398 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -106.93 124.72 50.03 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.073 -0.512 . . . . 74.340000000000003 110.445 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.13 138.39 53.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.839 -0.619 . . . . 61.200000000000003 110.074 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 32.5 ttm180 -117.11 115.41 25.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.24 -0.436 . . . . 72.400000000000006 110.177 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -105.36 114.27 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 72.430000000000007 110.959 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -95.35 105.96 17.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 64.319999999999993 109.954 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 95.2 m-85 -88.22 169.91 11.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.271 -0.422 . . . . 74.010000000000005 110.191 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.06 -56.91 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.323 0.582 . . . . 75.109999999999999 109.958 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 70' ' ' GLU . 26.6 m -133.56 171.59 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.513 -0.767 . . . . 72.120000000000005 109.816 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.0 p -68.59 -22.35 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.877 0.37 . . . . 71.409999999999997 111.536 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 73.319999999999993 110.754 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 67' ' ' VAL . 9.5 mm-40 -61.43 -38.04 85.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.393 0.616 . . . . 73.349999999999994 109.892 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 30.4 ttpt -57.75 -57.25 13.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.968 -1.015 . . . . 64.439999999999998 110.511 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 68' ' ' SER . 94.6 mt -51.99 -43.35 63.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.665 -1.152 . . . . 52.340000000000003 111.651 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 75.2 mt -61.48 -46.72 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 63.310000000000002 110.47 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.59 -46.45 84.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 65.400000000000006 110.531 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 39.0 mt-10 -61.83 -37.89 86.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.905 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.53 -42.9 86.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.391 -0.368 . . . . 62.450000000000003 111.451 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 43.4 mtmt -72.89 -34.21 66.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.107 -0.237 . . . . 70.439999999999998 111.545 -177.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 p -69.55 -24.84 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.712 0.264 . . . . 74.349999999999994 111.712 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 98.8 mtt180 -59.95 -44.51 94.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.864 0.364 . . . . 74.129999999999995 110.909 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.34 -12.88 61.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.165 -0.47 . . . . 75.450000000000003 111.863 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 121.028 0.442 . . . . 75.019999999999996 110.771 -179.639 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.439 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 56.4 m-85 . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.827 0.346 . . . . 64.150000000000006 111.836 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.7 mt -66.77 -65.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.586 -0.524 . . . . 64.140000000000001 109.586 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.2 120.92 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.305 -0.628 . . . . 72.030000000000001 109.305 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -79.38 -175.83 4.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.559 -0.746 . . . . 75.129999999999995 110.857 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.96 173.23 6.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.117 -0.492 . . . . 63.130000000000003 110.552 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.9 30.11 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 119.822 -1.18 . . . . 71.510000000000005 112.717 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.07 -20.46 13.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.702 0.763 . . . . 71.439999999999998 109.03 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -103.03 -4.07 25.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.558 -1.201 . . . . 72.200000000000003 109.138 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.78 126.46 55.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.267 -0.879 . . . . 55.009999999999998 110.57 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -111.95 104.4 12.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 65.040000000000006 109.48 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.7 134.75 34.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 65.25 110.155 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.71 139.66 50.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.568 -0.742 . . . . 74.519999999999996 110.575 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -109.56 116.36 31.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.203 -0.908 . . . . 73.310000000000002 109.063 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.552 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 14.0 mt -98.35 137.88 24.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.328 -0.396 . . . . 71.109999999999999 110.178 -174.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.8 137.93 53.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.852 -0.613 . . . . 71.140000000000001 110.407 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -160.73 160.13 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.992 -0.549 . . . . 73.510000000000005 110.131 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.03 -45.33 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.809 0.3 . . . . 74.030000000000001 111.809 -176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.5 p -107.39 151.88 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.068 -0.253 . . . . 74.019999999999996 111.127 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -61.05 -35.39 76.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 75.129999999999995 110.427 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.91 -43.9 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 74.420000000000002 110.481 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.82 98.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 60.43 110.509 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 21' ' ' ALA . 4.0 mp -55.28 -49.97 70.73 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.914 0.387 . . . . 72.319999999999993 110.62 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.01 -33.63 76.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 72.099999999999994 111.582 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -70.54 -50.1 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.538 -0.301 . . . . 54.130000000000003 110.958 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.27 -41.95 97.81 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.288 -0.415 . . . . 72.219999999999999 110.771 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 59' ' ' LEU . 52.3 tp -58.57 -51.22 70.84 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.903 -0.59 . . . . 50.229999999999997 109.93 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -51.49 -50.53 59.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.968 -1.014 . . . . 73.109999999999999 111.001 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -62.21 -39.39 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 72.120000000000005 111.742 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.497 -0.319 . . . . 65.439999999999998 110.341 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.4 -37.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.272 0.558 . . . . 74.140000000000001 109.607 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 25.7 mm-40 -63.37 -41.06 98.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.765 -0.652 . . . . 74.129999999999995 110.414 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HE3' ' A' ' 77' ' ' LYS . 2.5 tt -61.54 -38.14 86.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.694 -0.684 . . . . 75.430000000000007 109.978 174.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 40.329999999999998 110.838 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -63.25 -31.15 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.306 0.574 . . . . 72.120000000000005 110.536 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -72.41 -20.03 61.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 73.510000000000005 110.232 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -93.93 -47.16 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 110.735 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 t -147.36 139.83 24.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.897 0.38 . . . . 74.040000000000006 110.249 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -9.43 51.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.153 -0.476 . . . . 53.130000000000003 111.16 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.17 21.45 22.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 52.329999999999998 112.36 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.33 116.68 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.506 0.67 . . . . 63.420000000000002 111.639 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -90.85 138.1 31.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.469 -0.937 . . . . 74.329999999999998 108.469 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 55.3 p90 -142.73 155.78 44.92 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.626 -0.83 . . . . 73.0 112.781 -174.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 17.3 m120 -129.99 163.55 26.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.592 -1.185 . . . . 70.25 108.898 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.5 t -144.13 138.63 24.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.569 -0.742 . . . . 74.239999999999995 109.221 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 p -62.9 158.8 18.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 72.140000000000001 110.792 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 5.6 pt-20 -78.09 120.33 22.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.893 -0.594 . . . . 74.25 110.176 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD21 HD13 ' A' ' 59' ' ' LEU . 94.7 mt -76.35 144.23 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.345 -0.843 . . . . 71.340000000000003 111.12 -173.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.3 p -127.14 173.08 9.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.839 -0.618 . . . . 72.140000000000001 109.776 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.63 -48.12 82.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.414 -0.357 . . . . 72.150000000000006 111.672 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -115.26 44.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.626 0.602 . . . . 50.25 112.626 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -85.93 116.73 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.547 -0.909 . . . . 70.439999999999998 108.547 165.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -91.0 -2.9 57.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.162 0.506 . . . . 74.120000000000005 110.108 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.7 162.57 40.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 70.230000000000004 109.885 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.552 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -148.7 154.87 40.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 63.350000000000001 110.018 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.439 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 m -112.09 126.46 55.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.32 -0.4 . . . . 52.350000000000001 110.428 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.84 138.64 51.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.014 -0.539 . . . . 64.540000000000006 111.071 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.5 mmt180 -103.08 115.99 31.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.879 -0.6 . . . . 52.049999999999997 109.582 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.21 105.8 15.0 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.722 -0.391 . . . . 74.200000000000003 110.18 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -100.16 116.16 31.52 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 63.409999999999997 110.26 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -99.11 -171.3 2.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.011 -0.541 . . . . 70.019999999999996 110.073 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -87.31 -49.38 7.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.038 0.447 . . . . 75.120000000000005 110.51 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.41 157.01 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.805 -0.634 . . . . 71.319999999999993 110.885 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 m -62.66 -19.83 64.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 65.150000000000006 111.716 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -68.06 -37.96 81.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 65.209999999999994 111.105 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.34 -32.08 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.013 -0.539 . . . . 74.420000000000002 110.628 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 58.5 tttp -54.88 -59.39 4.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.839 0.828 . . . . 52.229999999999997 110.004 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -55.04 -47.56 74.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.092 -1.413 . . . . 75.150000000000006 111.698 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.8 mt -57.83 -45.59 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.738 0.304 . . . . 74.120000000000005 111.205 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.59 -44.86 95.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.411 . . . . 53.539999999999999 110.661 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.09 -28.96 69.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 62.450000000000003 111.216 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.72 -47.78 36.86 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.848 0.356 . . . . 73.450000000000003 111.314 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' A' ' 37' ' ' LEU . 32.5 mtmt -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 71.329999999999998 111.531 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -66.8 -31.23 71.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.599 0.238 . . . . 54.399999999999999 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 79' ' ' ARG . 3.9 mmp_? -62.04 -44.05 97.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.855 0.359 . . . . 64.510000000000005 111.247 178.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -82.49 -12.78 57.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.297 -0.41 . . . . 72.239999999999995 111.411 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 tp . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 121.064 0.459 . . . . 64.349999999999994 110.544 177.834 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.57 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 62.0 m-85 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.310000000000002 110.994 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -75.39 -52.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.734 -0.666 . . . . 74.319999999999993 110.212 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.35 131.08 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 71.450000000000003 110.438 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 13.0 tmtt? -81.43 155.94 25.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.082 -0.508 . . . . 75.0 110.057 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.651 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 4.1 tm-20 -53.83 162.76 0.84 Allowed 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 115.259 -0.882 . . . . 71.140000000000001 111.594 176.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.8 -177.55 43.08 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.391 -0.909 . . . . 40.149999999999999 112.816 -176.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.27 -40.2 96.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.243 0.544 . . . . 72.420000000000002 110.847 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.15 6.1 49.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.47 -0.786 . . . . 70.430000000000007 110.36 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -109.97 139.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.389 -0.823 . . . . 75.219999999999999 110.509 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -135.64 138.65 43.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.348 . . . . 72.140000000000001 110.422 175.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.95 138.38 35.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.062 0.458 . . . . 74.530000000000001 110.013 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.19 129.25 75.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.642 -0.708 . . . . 73.049999999999997 109.127 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 m -115.53 114.19 24.65 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.883 -0.598 . . . . 72.319999999999993 110.119 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 14.4 mt -97.95 134.8 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.037 -0.727 . . . . 73.239999999999995 109.037 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 29.2 p90 -140.42 140.95 35.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.026 -0.534 . . . . 75.409999999999997 110.621 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.32 -171.31 1.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.498 -0.773 . . . . 72.409999999999997 109.841 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.98 -15.17 23.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.708 -0.224 . . . . 63.409999999999997 111.261 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -130.22 143.75 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 74.319999999999993 111.542 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 54' ' ' GLU . 68.1 tttt -59.89 -38.95 83.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.499 0.666 . . . . 74.209999999999994 109.328 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.49 -45.29 66.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 70.209999999999994 111.495 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.47 91.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 55.25 110.251 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HD22 ' A' ' 59' ' ' LEU . 9.9 mp -54.72 -50.61 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 74.519999999999996 110.669 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.88 -41.57 98.03 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.024 -0.535 . . . . 75.299999999999997 111.526 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 m -63.92 -45.33 89.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 72.200000000000003 110.997 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -72.19 -37.9 69.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 116.043 -0.526 . . . . 74.200000000000003 111.119 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.18 -48.52 78.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.143 0.497 . . . . 55.140000000000001 109.917 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.93 -44.1 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.116 -0.947 . . . . 61.340000000000003 111.111 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.34 -41.6 96.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.765 0.317 . . . . 51.210000000000001 110.916 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.34 -36.53 79.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.244 -0.434 . . . . 71.329999999999998 110.833 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.545 HG22 ' HE3' ' A' ' 39' ' ' LYS . 78.0 mt -66.68 -36.57 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.484 . . . . 61.140000000000001 109.769 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -65.75 -43.73 88.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.758 -0.655 . . . . 63.509999999999998 111.309 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.539 HD11 HD22 ' A' ' 81' ' ' LEU . 64.5 mt -66.37 -34.09 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.854 0.359 . . . . 75.030000000000001 110.317 175.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.42 83.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 62.240000000000002 110.616 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HE3' HG22 ' A' ' 35' ' ' ILE . 92.1 mttt -65.37 -45.0 85.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.298 -0.41 . . . . 75.530000000000001 110.881 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 m -63.12 -31.36 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 35.340000000000003 111.177 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' LEU . 91.4 t -85.68 -39.27 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.378 -0.374 . . . . 43.409999999999997 111.195 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.541 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.3 t -145.96 116.3 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.847 0.356 . . . . 33.420000000000002 110.488 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.76 87.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.25 -0.432 . . . . 64.109999999999999 111.046 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.83 55.65 0.5 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.975 -0.631 . . . . 62.43 111.749 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.3 p -72.4 128.7 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 63.100000000000001 111.506 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -93.27 122.98 36.23 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.086 -0.506 . . . . 70.239999999999995 109.641 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 39.1 p90 -144.8 150.66 37.55 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.683 -0.69 . . . . 75.310000000000002 112.111 -176.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.51 167.62 13.14 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.134 -1.062 . . . . 73.230000000000004 108.134 172.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -157.77 148.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.806 0.336 . . . . 74.120000000000005 110.533 -176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.47 156.48 39.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.077 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.1 pm0 -95.84 129.15 43.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.366 0.603 . . . . 62.219999999999999 109.403 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' HE3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -116.65 162.65 17.32 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.619 -0.719 . . . . 63.140000000000001 112.284 -172.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.0 p -114.35 -166.54 1.11 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.017 -0.992 . . . . 50.030000000000001 108.751 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 2.6 mp0 -79.62 -12.75 59.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.861 0.362 . . . . 65.209999999999994 110.807 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.96 -5.51 24.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 112.134 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.7 m -69.27 122.4 18.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.141 0.496 . . . . 63.049999999999997 110.85 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 87.8 mttt -95.39 -9.8 31.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.87 -0.604 . . . . 72.230000000000004 110.739 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.4 pt-20 -143.57 150.86 39.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.847 0.356 . . . . 72.349999999999994 111.239 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD22 HD23 ' A' ' 27' ' ' LEU . 2.7 pt? -149.74 148.55 29.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.976 -0.75 . . . . 62.009999999999998 108.976 170.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.57 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 57.4 m -110.64 118.84 37.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.365 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.52 122.91 48.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.898 -0.592 . . . . 52.549999999999997 109.942 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 36.4 ttm180 -104.54 115.9 31.15 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.947 -0.569 . . . . 71.099999999999994 110.351 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.74 135.7 53.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 74.25 111.846 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -123.79 120.06 31.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.822 -0.807 . . . . 75.530000000000001 108.822 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.13 -169.87 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 74.409999999999997 111.5 -171.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 24.3 mm-40 -47.85 -55.04 10.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.587 -0.733 . . . . 74.430000000000007 110.512 178.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' HG2' ' A' ' 70' ' ' GLU . 21.8 m -144.42 175.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.249 -0.887 . . . . 63.399999999999999 109.11 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -67.79 -23.38 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 44.530000000000001 111.756 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.91 85.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.073 -0.512 . . . . 74.450000000000003 110.979 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HG3' ' HB2' ' A' ' 66' ' ' GLU . 7.9 mm-40 -64.13 -32.62 74.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 52.039999999999999 110.218 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 22.7 ttmt -53.42 -58.53 6.8 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.574 0.702 . . . . 54.420000000000002 109.842 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 91.0 mt -50.78 -47.76 59.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.096 -1.411 . . . . 63.329999999999998 111.316 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.53 HG22 ' HE2' ' A' ' 77' ' ' LYS . 63.4 mt -60.96 -43.78 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 53.119999999999997 111.158 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -62.3 -47.95 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 64.420000000000002 110.215 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 5.8 mm-40 -55.18 -47.21 75.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 63.100000000000001 110.487 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 56.7 mt -58.18 -45.7 87.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.041 -0.527 . . . . 74.109999999999999 111.647 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HE2' HG22 ' A' ' 73' ' ' ILE . 55.8 mtmt -73.57 -32.33 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.518 -0.31 . . . . 54.109999999999999 111.335 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.3 m -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.751 0.31 . . . . 61.32 110.599 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 79' ' ' ARG . 11.8 mmt180 -57.9 -44.9 87.04 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.732 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 m -67.23 -37.6 83.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.988 -0.551 . . . . 64.310000000000002 111.502 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.539 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp . . . . . 0 N--CA 1.442 -0.839 0 CA-C-N 116.299 -0.41 . . . . 60.399999999999999 110.427 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.592 ' HZ ' ' HG ' ' A' ' 50' ' ' SER . 61.1 m-85 . . . . . 0 C--O 1.234 0.281 0 N-CA-C 109.719 -0.474 . . . . 73.420000000000002 109.719 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.3 -54.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.932 0.396 . . . . 61.409999999999997 110.539 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 64' ' ' LYS . 77.3 mt -82.43 133.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.071 -0.513 . . . . 70.209999999999994 110.475 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -95.99 -175.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.76 . . . . 65.230000000000004 110.961 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -71.13 165.45 23.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.214 -0.448 . . . . 75.010000000000005 111.271 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.44 -164.77 34.15 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.335 -0.706 . . . . 61.210000000000001 111.335 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.54 -25.94 14.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.789 0.804 . . . . 71.049999999999997 109.26 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 1.2 pm0 -98.86 -0.33 42.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.49 -1.232 . . . . 71.209999999999994 110.092 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 13' ' ' GLU . 37.0 t -125.41 133.54 69.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 61.140000000000001 110.589 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -141.47 151.88 43.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.366 -0.379 . . . . 72.129999999999995 110.269 178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 5.9 p-10 -104.98 133.61 49.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.425 0.631 . . . . 75.329999999999998 110.238 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 t -120.46 128.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.327 -0.851 . . . . 62.130000000000003 109.704 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 57.5 m -111.15 117.53 33.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.193 -0.912 . . . . 61.039999999999999 109.258 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 55.5 mt -97.43 144.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 109.783 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.34 138.41 54.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.035 -0.529 . . . . 71.239999999999995 110.367 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.92 160.19 16.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.23 -0.895 . . . . 70.040000000000006 108.904 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.28 -36.45 27.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.962 0.356 . . . . 60.310000000000002 111.962 -174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -110.65 144.88 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.699 -0.228 . . . . 64.200000000000003 111.07 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 62.4 tttm -55.97 -43.11 77.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.196 -0.456 . . . . 71.140000000000001 110.956 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.26 -46.3 69.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.492 -0.776 . . . . 75.329999999999998 110.945 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.69 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.48 -0.327 . . . . 64.310000000000002 110.744 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.9 mp -54.23 -53.87 47.69 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.338 0.59 . . . . 73.109999999999999 110.137 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.04 -31.06 70.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.189 -0.914 . . . . 72.140000000000001 112.141 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -74.71 -46.82 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.507 0.194 . . . . 64.109999999999999 111.191 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -68.87 -34.65 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.042 0.449 . . . . 35.130000000000003 109.842 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.33 -50.27 59.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.406 -0.816 . . . . 73.5 110.347 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.56 71.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.004 -0.998 . . . . 42.409999999999997 111.303 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.63 -35.43 80.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 75.540000000000006 111.021 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.23 -39.22 78.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.33 -0.395 . . . . 75.109999999999999 110.564 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.6 mt -65.09 -40.56 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.915 -0.402 . . . . 72.209999999999994 109.915 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -59.98 -45.38 92.89 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.861 -0.609 . . . . 52.43 110.981 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -33.61 76.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 51.109999999999999 109.955 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.07 76.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 72.519999999999996 110.152 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.96 -30.81 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 74.430000000000007 110.762 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -65.88 -30.44 71.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.663 -0.698 . . . . 43.420000000000002 110.703 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.3 t -93.99 -45.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 61.149999999999999 111.029 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.6 t -134.28 125.54 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.248 -0.433 . . . . 75.430000000000007 110.168 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.15 -7.5 59.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.973 -0.558 . . . . 55.32 110.92 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.32 34.85 4.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.693 -0.765 . . . . 41.229999999999997 112.12 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.74 124.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 61.32 111.312 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -110.11 151.31 27.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.522 -0.763 . . . . 71.549999999999997 109.268 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 51.5 p90 -143.79 150.92 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.119 0.785 . . . . 70.540000000000006 113.119 -176.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 12.8 m120 -115.08 168.79 9.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.365 -1.289 . . . . 72.040000000000006 107.702 169.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.3 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.693 -0.403 . . . . 62.409999999999997 110.757 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.592 ' HG ' ' HZ ' ' A' ' 6' ' ' PHE . 1.5 m -68.91 168.19 14.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 65.219999999999999 109.679 174.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.48 133.36 34.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.967 0.413 . . . . 65.239999999999995 109.91 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.34 157.24 19.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 73.239999999999995 110.776 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.7 p -133.2 -171.95 2.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.758 -0.656 . . . . 64.409999999999997 109.655 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.14 -28.16 29.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 71.129999999999995 109.804 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -97.49 -4.22 38.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.955 -1.02 . . . . 74.109999999999999 111.988 -175.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 p -76.12 115.84 16.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.98 0.419 . . . . 61.149999999999999 111.332 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -97.44 9.92 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 53.439999999999998 109.558 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.1 pt-20 -150.12 154.06 37.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 73.120000000000005 110.356 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 HD23 ' A' ' 27' ' ' LEU . 2.6 pt? -150.61 141.87 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.639 -0.504 . . . . 61.340000000000003 109.639 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.1 m -104.27 120.62 41.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.475 . . . . 73.140000000000001 110.549 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.17 55.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.91 -0.586 . . . . 72.040000000000006 110.464 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 23.9 tpp180 -93.09 114.92 27.58 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.353 -0.61 . . . . 72.420000000000002 109.353 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -109.43 126.01 53.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.795 0.331 . . . . 72.299999999999997 111.265 -177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 8' ' ' ILE . 9.4 ptmt -112.33 131.01 55.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.256 -0.646 . . . . 73.549999999999997 109.256 171.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.48 169.48 8.83 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.195 -0.668 . . . . 64.510000000000005 109.195 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -49.6 67.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.68 -0.489 . . . . 74.329999999999998 109.68 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.14 163.42 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.031 -0.531 . . . . 71.329999999999998 110.442 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 19.5 m -68.5 -26.03 65.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.085 0.469 . . . . 73.120000000000005 111.189 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.06 79.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 74.340000000000003 111.01 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 71.200000000000003 110.605 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 11.9 ttpt -66.06 -50.24 64.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.161 -0.681 . . . . 72.019999999999996 109.161 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' SER . 87.4 mt -52.0 -49.96 62.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.513 -1.221 . . . . 72.420000000000002 111.747 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.24 -47.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 63.119999999999997 110.937 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.1 -51.01 70.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 73.549999999999997 110.454 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 9.9 mm-40 -60.27 -30.3 69.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 71.140000000000001 111.675 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.96 -39.97 65.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.977 0.417 . . . . 73.209999999999994 110.964 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -79.39 -29.16 41.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 111.7 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 p -69.54 -35.47 75.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.934 -0.307 . . . . 73.109999999999999 110.961 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.0 mmp_? -57.43 -44.4 84.66 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.17 0.51 . . . . 72.420000000000002 110.647 175.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -77.17 -19.96 56.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.666 -0.697 . . . . 50.450000000000003 111.403 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 N--CA 1.445 -0.722 0 CA-C-N 116.252 -0.431 . . . . 65.209999999999994 110.281 179.61 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.76 0.314 . . . . 71.430000000000007 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.41 -49.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 65.239999999999995 109.889 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.32 130.54 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.762 -0.654 . . . . 73.129999999999995 110.079 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -76.31 174.69 9.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.784 -0.644 . . . . 73.219999999999999 111.161 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.15 163.16 26.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.791 -0.64 . . . . 72.420000000000002 110.714 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.17 172.46 45.16 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.744 -0.741 . . . . 61.340000000000003 112.264 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.57 -23.24 42.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 72.329999999999998 110.686 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.27 4.12 33.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 74.310000000000002 110.484 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.87 139.28 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.865 -0.607 . . . . 64.140000000000001 110.563 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.16 114.57 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.863 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.575 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 p30 -101.02 129.29 46.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 53.229999999999997 110.63 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.26 142.08 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 64.010000000000005 110.435 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 m -105.33 110.18 22.44 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.733 -0.667 . . . . 75.450000000000003 110.198 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.436 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 53.6 mt -99.73 143.37 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 62.049999999999997 109.391 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -141.35 143.57 34.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 64.349999999999994 111.602 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -169.87 163.26 9.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.205 -0.907 . . . . 53.039999999999999 109.463 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.29 -28.25 53.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.283 0.475 . . . . 75.510000000000005 112.283 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -115.49 147.68 40.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.623 0.249 . . . . 73.340000000000003 111.38 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -62.87 -36.05 82.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.32 0.581 . . . . 45.340000000000003 110.093 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.06 -43.8 82.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.958 . . . . 74.439999999999998 110.923 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.39 91.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 72.200000000000003 110.38 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.5 mp -55.33 -53.56 54.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.381 -0.372 . . . . 71.409999999999997 110.431 175.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.757 -0.656 . . . . 64.219999999999999 111.823 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -65.15 -50.42 66.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.876 0.369 . . . . 74.540000000000006 110.917 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.97 -37.02 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 71.329999999999998 110.311 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.74 -50.92 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.567 -0.742 . . . . 64.329999999999998 110.329 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.54 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 71.329999999999998 111.406 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.97 -41.4 91.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.939 0.4 . . . . 74.140000000000001 110.794 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -41.89 98.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.699 . . . . 62.119999999999997 110.547 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.75 -41.19 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 75.430000000000007 110.773 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.76 -37.54 87.94 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.276 -0.42 . . . . 70.040000000000006 110.801 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -38.72 91.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 61.210000000000001 109.759 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.07 38.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 42.130000000000003 111.458 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 68.2 mttm -68.58 -21.32 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 65.120000000000005 111.807 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -70.72 -21.05 62.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 72.150000000000006 110.505 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.54 -52.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.606 -0.516 . . . . 72.219999999999999 109.606 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 37.0 t -122.18 100.95 7.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.665 -0.698 . . . . 74.310000000000002 109.185 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.02 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 73.420000000000002 111.46 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.77 39.66 3.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.956 -0.64 . . . . 72.540000000000006 112.763 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.59 127.52 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.083 0.468 . . . . 71.400000000000006 110.245 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.78 144.96 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.442 -0.577 . . . . 61.109999999999999 109.442 176.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.7 p90 -139.2 154.55 48.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.766 0.793 . . . . 74.349999999999994 112.017 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.51 166.62 15.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.216 -1.357 . . . . 53.130000000000003 108.342 168.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.94 142.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 116.056 -0.52 . . . . 74.140000000000001 110.177 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -69.66 163.57 25.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.067 -0.515 . . . . 65.420000000000002 110.074 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -92.97 132.59 36.94 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.67 -0.493 . . . . 75.299999999999997 109.67 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -88.18 120.56 29.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.707 -0.679 . . . . 62.149999999999999 111.042 -171.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -92.51 -164.54 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 62.130000000000003 111.344 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.06 -56.12 26.3 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.141 -0.481 . . . . 65.129999999999995 110.715 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -103.05 45.92 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 70.530000000000001 111.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -71.6 96.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.281 0.562 . . . . 63.229999999999997 109.82 172.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -106.84 16.76 23.99 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.307 -0.861 . . . . 70.140000000000001 108.927 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.3 pt-20 -167.02 154.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.525 -1.216 . . . . 71.340000000000003 109.755 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.06 150.55 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.727 -0.471 . . . . 65.209999999999994 109.727 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.7 m -108.87 118.03 35.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.029 0.442 . . . . 71.239999999999995 110.566 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.77 118.07 35.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 74.400000000000006 110.15 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 29.8 ttm180 -100.82 118.02 36.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.4 -0.364 . . . . 74.340000000000003 110.967 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.27 126.7 52.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.325 -0.398 . . . . 51.149999999999999 110.66 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -106.17 117.19 33.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.563 -0.532 . . . . 70.420000000000002 109.563 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.59 175.78 6.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.247 -0.433 . . . . 64.219999999999999 110.207 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.72 -43.98 24.55 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.485 -0.561 . . . . 65.420000000000002 109.485 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.98 155.5 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.688 -0.687 . . . . 75.319999999999993 109.98 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 15.9 m -65.57 -17.95 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 70.140000000000001 111.593 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.84 -38.33 86.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.07 -0.514 . . . . 65.439999999999998 110.379 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -66.38 -34.09 77.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 74.530000000000001 110.238 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 56.9 tttp -55.82 -59.94 4.17 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.633 -0.712 . . . . 70.239999999999995 109.686 174.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.8 mt -54.78 -47.89 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.485 -1.234 . . . . 74.109999999999999 111.558 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -57.81 -47.56 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.864 0.364 . . . . 63.32 111.058 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.033 0.444 . . . . 54.149999999999999 110.811 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 75.9 mt-10 -68.75 -28.73 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 74.299999999999997 110.883 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 49.2 mt -69.36 -43.26 73.98 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.866 0.365 . . . . 72.209999999999994 110.89 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.24 -41.18 77.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 75.230000000000004 111.162 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -68.63 -20.5 64.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 74.219999999999999 111.54 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 76' ' ' LEU . 9.9 mmm180 -59.05 -43.77 91.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.978 0.418 . . . . 54.32 110.807 174.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -77.63 -41.64 37.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.831 -0.622 . . . . 74.25 112.043 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 121.119 0.485 . . . . 74.120000000000005 110.43 -177.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 110.263 -0.273 . . . . 74.310000000000002 110.263 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.38 -50.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 71.340000000000003 110.417 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 64' ' ' LYS . 73.9 mt -80.14 120.42 31.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.719 0.771 . . . . 74.219999999999999 110.513 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' O ' HG11 ' A' ' 14' ' ' VAL . 89.5 mttt -94.06 -178.11 4.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.831 -1.077 . . . . 63.439999999999998 110.007 -178.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.55 164.36 26.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.029 0.442 . . . . 73.5 111.844 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.7 162.96 30.45 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.038 -0.825 . . . . 62.439999999999998 111.038 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 71.340000000000003 110.426 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.82 9.86 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.994 -0.548 . . . . 63.240000000000002 110.521 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 9' ' ' LYS . 43.5 t -109.88 124.67 66.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.499 -0.319 . . . . 73.030000000000001 110.638 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -129.66 126.39 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.908 0.385 . . . . 72.239999999999995 111.074 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.674 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.6 p30 -101.84 145.0 29.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.167 -0.47 . . . . 64.329999999999998 110.39 176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.12 132.54 71.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.656 -0.702 . . . . 55.43 109.716 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 m -105.83 109.62 21.64 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.821 . . . . 54.140000000000001 108.797 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 33.0 mt -98.84 142.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.02 -0.537 . . . . 74.299999999999997 110.419 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -121.97 140.66 52.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.889 -0.596 . . . . 71.420000000000002 110.081 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.05 167.96 24.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.113 -0.494 . . . . 64.329999999999998 109.922 173.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.04 -40.53 62.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.615 0.245 . . . . 73.349999999999994 110.923 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.6 p -131.39 170.63 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.326 -0.397 . . . . 51.329999999999998 110.721 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.08 -43.01 99.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.53 -0.304 . . . . 72.219999999999999 110.937 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.28 -48.39 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.268 -0.424 . . . . 71.439999999999998 111.254 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.74 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 110.559 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.9 tp -59.39 -49.99 75.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.824 -0.625 . . . . 74.120000000000005 110.169 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.0 -37.17 81.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 74.349999999999994 111.457 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.5 m -69.04 -44.86 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.035 0.445 . . . . 32.140000000000001 110.902 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.58 -46.84 86.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 62.32 110.577 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.79 -51.24 61.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.588 -0.733 . . . . 75.209999999999994 111.175 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 -31.41 63.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.271 -0.877 . . . . 35.109999999999999 111.7 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -74.82 -40.12 61.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 72.430000000000007 111.532 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.5 -33.1 70.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.375 -0.375 . . . . 70.030000000000001 110.899 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.527 HG22 ' HE2' ' A' ' 39' ' ' LYS . 70.4 mt -67.67 -35.86 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 71.230000000000004 110.047 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.18 -46.61 88.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.082 -0.508 . . . . 73.540000000000006 110.362 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.25 -37.97 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.803 -0.635 . . . . 61.149999999999999 110.175 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.16 -47.26 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 71.400000000000006 111.304 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 35' ' ' ILE . 58.3 mtmt -69.28 -22.72 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 61.140000000000001 111.249 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -70.53 -23.39 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.334 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.82 -44.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.191 0.519 . . . . 52.119999999999997 110.475 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.661 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 5.0 p -138.98 126.03 21.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.008 -0.542 . . . . 61.030000000000001 110.646 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -24.69 25.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 65.310000000000002 110.299 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.39 49.79 1.03 Allowed Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.871 -0.604 . . . . 61.130000000000003 111.66 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.661 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 11.6 p -99.68 133.83 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.772 0.32 . . . . 73.420000000000002 110.521 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . 11.8 mp0 -97.64 135.88 38.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 63.210000000000001 109.366 172.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 33.6 p90 -142.33 150.92 41.4 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.117 0.484 . . . . 73.319999999999993 111.259 178.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.81 160.78 20.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.926 -0.768 . . . . 63.210000000000001 108.926 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.04 139.34 37.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.558 -0.746 . . . . 71.209999999999994 109.198 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.5 161.61 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.958 -0.386 . . . . 71.129999999999995 109.958 177.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.18 128.08 34.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 74.209999999999994 109.218 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.79 122.13 26.24 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.86 -0.422 . . . . 73.219999999999999 109.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 p -84.55 -167.02 1.63 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.783 -0.644 . . . . 64.200000000000003 110.071 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -81.5 -39.05 25.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.47 0.652 . . . . 73.299999999999997 109.261 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.507 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 66.5 mm-40 -107.09 33.99 3.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.944 -1.025 . . . . 74.409999999999997 111.318 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -70.31 102.15 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.049 0.452 . . . . 73.129999999999995 111.245 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 55' ' ' GLU . 3.9 mppt? -98.38 4.26 48.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.2 -0.667 . . . . 73.019999999999996 109.2 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -156.15 157.89 36.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.34 -0.846 . . . . 63.130000000000003 110.19 179.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.1 pt? -157.05 157.11 34.0 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.341 -0.614 . . . . 70.200000000000003 109.341 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -113.27 115.36 28.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.905 0.383 . . . . 74.510000000000005 110.705 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.82 117.19 30.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.014 -0.539 . . . . 71.409999999999997 109.769 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.674 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 34.6 ttm180 -108.74 123.03 48.37 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.782 -0.367 . . . . 72.150000000000006 111.37 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -107.57 125.22 51.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.51 -0.768 . . . . 71.239999999999995 109.68 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -104.73 123.61 47.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.51 0.672 . . . . 74.0 109.824 174.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.458 ' HD1' ' HG ' ' A' ' 42' ' ' CYS . 87.1 m-85 -92.34 178.74 5.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.344 -0.844 . . . . 75.549999999999997 109.452 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.86 -40.29 11.84 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.755 0.312 . . . . 71.239999999999995 110.695 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 29.2 m -125.87 152.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.292 -0.413 . . . . 63.109999999999999 110.441 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -61.84 -23.74 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 73.019999999999996 111.826 -176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.96 73.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 71.340000000000003 111.148 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 52.0 mt-10 -68.42 -32.76 73.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.031 -0.531 . . . . 72.340000000000003 110.874 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.556 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 36.3 ttmt -61.05 -57.07 14.14 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.263 0.554 . . . . 71.310000000000002 109.931 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -50.13 -44.13 52.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.391 -1.277 . . . . 70.510000000000005 111.581 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.52 -52.69 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.524 -0.307 . . . . 73.129999999999995 110.856 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.32 -49.81 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 73.010000000000005 110.621 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.9 -37.81 74.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 62.340000000000003 111.267 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.79 -39.41 76.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.801 0.334 . . . . 74.219999999999999 111.185 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.09 -39.75 71.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 70.25 111.092 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.4 p -65.14 -40.83 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 41.439999999999998 110.821 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -59.99 -44.59 94.41 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 111.488 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 m -73.59 -22.47 60.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.118 -0.492 . . . . 74.230000000000004 111.433 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 tp . . . . . 0 N--CA 1.446 -0.632 0 CA-C-N 116.127 -0.488 . . . . 71.239999999999995 110.445 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 110.057 -0.349 . . . . 75.010000000000005 110.057 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.97 -41.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.399 0.619 . . . . 55.140000000000001 109.639 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.618 HD13 ' HG2' ' A' ' 64' ' ' LYS . 95.1 mt -92.21 126.85 44.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.321 -0.854 . . . . 62.229999999999997 110.693 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' HG11 ' A' ' 14' ' ' VAL . 20.5 pttm -93.37 166.15 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.738 -0.665 . . . . 73.409999999999997 110.929 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.37 165.85 7.15 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.868 0.73 . . . . 75.129999999999995 111.819 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.22 -160.04 27.61 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.532 -0.627 . . . . 73.340000000000003 111.532 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.34 -27.72 19.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.418 0.628 . . . . 73.340000000000003 109.942 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.48 3.08 45.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.164 -0.926 . . . . 72.030000000000001 109.914 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 9' ' ' LYS . 57.4 t -107.98 142.35 20.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.55 -0.75 . . . . 73.329999999999998 110.999 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -161.46 116.55 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 75.219999999999999 109.883 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.735 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.2 p30 -90.54 143.48 26.7 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.231 0.538 . . . . 75.140000000000001 110.063 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -113.98 125.14 71.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 115.192 -0.913 . . . . 74.030000000000001 109.513 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 m -98.53 111.36 23.75 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.844 -1.071 . . . . 72.329999999999998 108.816 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 15.8 mt -98.17 136.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.607 -0.516 . . . . 73.129999999999995 109.607 -176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 7.2 p90 -135.89 135.92 40.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.789 -0.641 . . . . 72.439999999999998 110.749 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -163.02 -179.45 6.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 60.439999999999998 109.981 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -94.87 -15.88 23.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.607 0.595 . . . . 74.349999999999994 112.607 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -133.94 156.21 48.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.103 0.477 . . . . 62.420000000000002 111.695 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 25.0 ttpp -65.2 -41.76 94.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 71.200000000000003 110.128 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.95 -35.97 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 73.230000000000004 110.898 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.22 -46.31 70.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.41 -0.359 . . . . 74.310000000000002 110.424 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.3 mp -54.24 -50.41 67.24 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.394 0.434 . . . . 64.030000000000001 110.692 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.07 -45.58 83.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.048 -0.524 . . . . 64.340000000000003 111.233 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 48.8 m -66.89 -46.7 74.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 30.050000000000001 111.293 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 29.5 mm-40 -64.6 -43.56 93.41 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.614 -0.266 . . . . 71.329999999999998 111.202 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.33 -49.32 72.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 73.430000000000007 110.175 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.02 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.053 -0.976 . . . . 23.399999999999999 111.231 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 29' ' ' SER . 75.8 mmtt -65.15 -37.43 87.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.712 -0.222 . . . . 74.030000000000001 111.441 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -69.29 -39.61 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.625 -0.261 . . . . 74.439999999999998 110.645 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.06 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 73.430000000000007 109.839 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.56 -45.52 88.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.604 -0.726 . . . . 73.310000000000002 110.794 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.96 -32.26 73.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 75.319999999999993 110.8 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.33 -49.09 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 62.310000000000002 110.756 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.49 -29.24 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 111.016 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -67.5 -27.08 66.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.561 . . . . 55.130000000000003 110.101 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.66 -49.75 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.948 -0.569 . . . . 52.039999999999999 111.19 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 t -139.43 133.07 30.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.06 0.457 . . . . 75.329999999999998 110.63 -171.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.11 -22.83 22.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.83 -0.623 . . . . 63.109999999999999 110.861 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.25 28.07 10.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.933 -0.651 . . . . 70.409999999999997 112.024 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -79.42 125.12 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.563 0.697 . . . . 71.230000000000004 111.008 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -108.75 145.06 35.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.386 -0.824 . . . . 41.32 109.142 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 49.4 p90 -144.49 152.13 40.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.749 0.785 . . . . 73.450000000000003 112.807 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.3 167.27 12.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.31 -1.313 . . . . 63.25 107.513 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.59 149.15 3.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 120.559 -0.457 . . . . 74.540000000000006 111.137 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -77.91 170.01 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 54.310000000000002 110.137 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 135.49 35.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.36 -0.608 . . . . 72.040000000000006 109.36 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.431 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -107.45 114.53 28.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.262 0.553 . . . . 60.329999999999998 111.227 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.0 p -122.27 176.8 5.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.679 . . . . 71.510000000000005 109.407 174.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.33 -19.31 58.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.33 . . . . 74.420000000000002 111.582 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.39 -12.84 48.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 62.119999999999997 110.277 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.1 m -87.9 101.17 13.47 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.287 -0.635 . . . . 72.239999999999995 109.287 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 14.4 mmmm -76.67 -9.22 58.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 71.530000000000001 110.163 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 8.8 pt-20 -146.45 146.72 30.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.703 -0.68 . . . . 71.019999999999996 110.864 -177.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.523 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -133.45 140.55 47.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.23 -0.656 . . . . 74.450000000000003 109.23 170.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 m -103.56 112.82 25.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.091 -0.504 . . . . 71.540000000000006 110.725 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.44 111.68 24.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 109.935 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 21.1 tpp85 -90.5 113.85 25.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 75.319999999999993 109.88 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -106.94 140.48 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 53.130000000000003 110.788 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -125.38 141.25 52.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.306 -0.628 . . . . 60.140000000000001 109.306 168.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 96.8 m-85 -110.77 -178.75 3.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.364 -0.606 . . . . 65.340000000000003 109.364 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.15 -49.35 19.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.102 0.477 . . . . 73.25 110.668 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.07 170.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.999 -0.546 . . . . 72.010000000000005 110.674 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 m -66.07 -28.17 68.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.041 0.448 . . . . 74.549999999999997 111.444 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.95 97.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 72.25 111.06 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 3.2 mm-40 -59.1 -42.33 90.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.455 0.645 . . . . 75.420000000000002 109.593 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.9 tmmm? -61.65 -52.27 65.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 74.420000000000002 110.032 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.14 -47.31 78.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.246 -0.888 . . . . 73.299999999999997 111.715 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 76' ' ' LEU . 71.9 mt -63.42 -34.52 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.968 0.414 . . . . 75.150000000000006 111.308 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.98 -48.01 64.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 74.420000000000002 110.195 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.638 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 55.2 mm-40 -66.94 -30.65 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.511 . . . . 54.149999999999999 111.765 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 73' ' ' ILE . 37.8 mt -59.83 -37.66 79.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.214 0.531 . . . . 65.310000000000002 110.288 174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -72.65 -46.49 53.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.293 -0.867 . . . . 74.25 110.971 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.638 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 11.5 p -66.3 -36.81 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.592 0.59 . . . . 52.020000000000003 112.592 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.2 mtm180 -54.66 -50.63 67.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 111.993 0.368 . . . . 74.150000000000006 111.993 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -87.29 -12.83 45.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 73.150000000000006 110.737 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.444 -0.739 0 CA-C-O 121.085 0.469 . . . . 73.5 109.836 177.547 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.059 -0.348 . . . . 73.219999999999999 110.059 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.04 -40.63 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.518 . . . . 63.109999999999999 109.82 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 64' ' ' LYS . 83.2 mt -98.83 124.13 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.569 -0.742 . . . . 70.219999999999999 110.429 176.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' HG11 ' A' ' 14' ' ' VAL . 46.9 mtmt -100.67 -176.51 3.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.737 . . . . 70.019999999999996 109.711 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.601 ' HG2' HH12 ' A' ' 62' ' ' ARG . 3.3 mm-40 -70.79 168.63 16.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.879 0.847 . . . . 64.230000000000004 112.656 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.33 -164.69 32.98 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.613 -1.176 . . . . 61.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' HE2' ' A' ' 71' ' ' LYS . 6.5 t70 -91.19 -19.78 22.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.213 0.53 . . . . 72.200000000000003 110.205 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.63 5.52 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.597 -0.729 . . . . 63.149999999999999 111.002 178.379 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 64' ' ' LYS . 47.0 t -106.21 141.29 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 71.310000000000002 110.611 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . -131.5 152.86 50.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.027 -0.361 . . . . 44.310000000000002 110.027 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.59 138.27 54.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.076 0.465 . . . . 64.319999999999993 110.541 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.01 135.28 55.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.534 -0.757 . . . . 52.210000000000001 109.943 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 m -133.79 116.47 15.74 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.836 -0.62 . . . . 74.209999999999994 109.983 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 59' ' ' LEU . 14.2 mt -100.33 139.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 74.099999999999994 109.812 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 37.5 m-85 -119.66 132.5 55.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 73.319999999999993 109.906 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -167.34 159.23 12.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.088 -0.505 . . . . 63.399999999999999 110.502 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.38 -51.57 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.308 0.484 . . . . 70.120000000000005 112.308 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -102.78 143.46 32.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.408 0.522 . . . . 62.409999999999997 112.408 -170.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 52' ' ' LEU . 55.4 tttm -54.26 -36.7 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.944 -1.026 . . . . 62.310000000000002 110.718 176.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.43 -46.89 83.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.508 -0.769 . . . . 70.109999999999999 111.091 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 64.340000000000003 110.684 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.818 ' HG ' HD22 ' A' ' 59' ' ' LEU . 10.2 mp -58.07 -54.66 44.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 110.296 174.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.74 -40.08 93.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 71.5 112.145 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.7 m -67.13 -46.46 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.716 0.294 . . . . 72.120000000000005 111.628 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.1 tp10 -70.89 -36.8 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 72.340000000000003 110.104 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' ALA . 24.5 tp -58.14 -46.93 84.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.902 -0.59 . . . . 54.420000000000002 110.505 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.229 -0.896 . . . . 71.409999999999997 111.467 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.49 -34.3 75.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.411 -0.359 . . . . 70.109999999999999 111.111 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 52.3 m-85 -75.41 -37.94 60.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 71.310000000000002 110.64 177.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.44 -38.79 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.63 -0.507 . . . . 61.229999999999997 109.63 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -63.16 -44.96 94.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.483 -0.78 . . . . 73.230000000000004 110.791 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.36 -41.42 89.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 51.119999999999997 109.797 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.4 -51.91 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.695 -0.684 . . . . 70.319999999999993 111.099 -174.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 49.3 mtmt -64.28 -30.81 71.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 72.129999999999995 111.151 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -66.6 -34.97 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.884 0.374 . . . . 64.400000000000006 110.328 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.15 -48.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 75.049999999999997 110.796 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.564 ' SG ' ' HG3' ' A' ' 66' ' ' GLU . 45.4 t -136.52 125.96 25.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.286 -0.416 . . . . 60.210000000000001 110.316 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.75 -20.16 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.007 0.432 . . . . 74.120000000000005 110.692 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.33 26.97 19.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.838 -0.696 . . . . 43.100000000000001 111.836 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 126.65 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.431 0.634 . . . . 71.209999999999994 110.939 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.18 116.9 33.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.762 -0.829 . . . . 71.439999999999998 108.762 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.3 p90 -131.16 149.98 52.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.653 0.739 . . . . 74.430000000000007 112.726 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.14 162.26 18.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.68 -1.145 . . . . 74.430000000000007 108.42 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.53 137.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.579 -0.526 . . . . 64.400000000000006 109.579 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -71.2 177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 65.329999999999998 111.065 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -82.62 129.19 34.9 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.024 -0.535 . . . . 54.109999999999999 111.423 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 85.3 mt -93.45 114.28 26.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.467 -0.788 . . . . 73.030000000000001 109.669 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.9 p -131.71 -177.6 4.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.353 -0.385 . . . . 60.130000000000003 110.479 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.26 -20.0 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.409 0.623 . . . . 63.409999999999997 109.897 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.18 -24.9 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.458 -0.792 . . . . 74.150000000000006 111.401 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.6 p -79.37 117.11 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.057 0.456 . . . . 74.209999999999994 111.934 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 4.8 mptp? -108.59 3.29 22.78 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.196 -1.039 . . . . 50.539999999999999 108.196 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.638 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 10.9 mt-10 -133.97 134.34 42.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.121 -1.4 . . . . 74.340000000000003 108.56 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.818 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -133.74 144.78 49.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.313 -0.555 . . . . 64.099999999999994 110.13 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.1 m -114.84 127.72 55.88 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.712 -0.676 . . . . 71.439999999999998 110.808 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -112.76 113.23 25.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.618 -0.719 . . . . 73.310000000000002 109.417 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' ' 10' ' ' GLU . 2.6 tpp180 -93.07 114.68 27.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.719 -0.673 . . . . 74.219999999999999 109.425 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -111.62 121.08 44.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.816 0.341 . . . . 75.329999999999998 111.211 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.63 ' HB2' HG21 ' A' ' 8' ' ' ILE . 49.9 tttm -113.9 123.74 50.49 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.712 -0.477 . . . . 72.430000000000007 109.712 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -95.27 -172.13 2.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.325 -0.398 . . . . 74.349999999999994 110.426 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.564 ' HG3' ' SG ' ' A' ' 42' ' ' CYS . 38.3 mt-10 -90.66 -42.51 10.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.981 0.42 . . . . 70.319999999999993 110.437 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.7 m -124.53 156.87 32.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 70.420000000000002 110.165 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 4.4 p -62.32 -28.99 70.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.355 0.502 . . . . 52.439999999999998 112.355 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.52 -33.89 73.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.797 -0.638 . . . . 71.219999999999999 111.335 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 54.7 mt-10 -67.84 -28.93 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 55.520000000000003 111.271 -176.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 1.6 tmmm? -62.0 -54.06 46.9 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.535 0.683 . . . . 75.409999999999997 109.374 175.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -55.58 -45.89 77.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.295 -1.32 . . . . 73.430000000000007 111.39 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -59.84 -43.36 91.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.943 0.401 . . . . 74.049999999999997 111.204 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -66.46 -50.06 64.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 75.109999999999999 110.459 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 21.3 mm-40 -58.98 -40.93 86.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 64.430000000000007 111.394 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.72 -47.38 82.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 73.030000000000001 111.113 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.53 -36.77 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.975 -0.557 . . . . 63.32 110.914 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 m -63.68 -32.59 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.046 -0.525 . . . . 65.230000000000004 111.243 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 13.4 mmp_? -58.12 -43.75 87.39 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.782 0.325 . . . . 73.299999999999997 110.929 176.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m -83.51 -38.31 21.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.944 -0.571 . . . . 72.400000000000006 111.799 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp . . . . . 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 74.430000000000007 110.886 -177.528 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 110.107 -0.331 . . . . 74.430000000000007 110.107 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.99 -49.83 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 71.340000000000003 110.612 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 46' ' ' GLU . 75.0 mt -94.13 139.18 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 62.109999999999999 111.019 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.94 -167.94 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.605 -0.725 . . . . 52.219999999999999 110.466 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.92 177.92 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.199 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.93 177.67 35.18 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 120.815 -0.707 . . . . 54.149999999999999 111.827 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -77.22 -22.39 52.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.464 0.649 . . . . 55.409999999999997 110.032 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 mt-10 -103.13 13.66 33.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 72.299999999999997 110.16 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -118.24 138.86 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.616 -0.72 . . . . 71.209999999999994 109.547 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -123.07 127.8 49.25 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.376 -0.231 . . . . 72.129999999999995 110.376 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.46 121.66 30.18 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.973 -0.751 . . . . 61.299999999999997 108.973 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.14 139.35 52.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 115.593 -0.73 . . . . 60.32 109.75 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -134.61 119.08 17.93 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.564 -0.743 . . . . 65.420000000000002 109.09 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 59' ' ' LEU . 23.1 mt -97.75 140.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.862 -0.422 . . . . 65.319999999999993 109.862 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -117.96 137.61 52.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 75.510000000000005 110.116 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.727 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.11 161.14 19.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.146 -0.934 . . . . 74.420000000000002 109.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.06 -42.14 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.782 -0.367 . . . . 61.119999999999997 111.284 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -110.06 149.21 30.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 64.329999999999998 111.241 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -58.78 -35.72 73.25 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.006 0.432 . . . . 63.200000000000003 110.456 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.07 -45.04 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 74.200000000000003 110.369 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.86 84.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 72.299999999999997 110.708 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' ALA . 7.0 mp -58.81 -51.52 69.64 Favored 'General case' 0 C--N 1.335 -0.046 0 CA-C-O 121.058 0.456 . . . . 74.230000000000004 109.974 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.36 -45.97 90.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.491 -0.777 . . . . 74.0 111.81 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -60.76 -48.5 81.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.487 -0.324 . . . . 51.100000000000001 111.208 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 18.2 tt0 -69.86 -41.2 75.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.539 -0.3 . . . . 73.420000000000002 110.229 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.41 -48.78 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 63.219999999999999 110.255 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.75 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.164 -0.925 . . . . 63.210000000000001 111.378 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 32.3 mmtp -72.07 -33.86 68.25 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.651 -0.25 . . . . 75.329999999999998 111.449 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.3 m-85 -68.08 -42.13 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.794 -0.447 . . . . 75.329999999999998 109.794 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.2 -40.94 90.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.213 -0.449 . . . . 75.140000000000001 110.098 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -57.55 -50.66 72.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.606 -0.725 . . . . 71.409999999999997 110.113 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 77' ' ' LYS . 1.2 tt -60.26 -37.86 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.487 -0.779 . . . . 72.310000000000002 110.127 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.86 63.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 71.340000000000003 110.985 -175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 64.3 mttm -69.02 -22.2 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 64.439999999999998 111.317 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 m -69.62 -29.54 67.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.834 0.35 . . . . 52.32 110.46 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.9 t -87.73 -51.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.400000000000006 110.061 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 42.5 t -139.13 124.6 19.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.897 -0.592 . . . . 72.200000000000003 110.417 -177.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.48 45.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.865 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 29.17 11.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.965 -0.636 . . . . 72.409999999999997 112.264 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.09 128.47 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.198 0.523 . . . . 74.5 110.738 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 8' ' ' ILE . 39.6 mt-10 -99.0 125.71 44.53 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.254 -0.647 . . . . 73.549999999999997 109.254 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.2 p90 -136.43 154.89 50.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.602 0.715 . . . . 71.209999999999994 111.598 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 14.0 m120 -122.57 167.65 13.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.534 -1.212 . . . . 74.209999999999994 108.086 172.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 60' ' ' THR . 13.6 p -156.15 146.14 12.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.112 -0.235 . . . . 72.120000000000005 110.414 -178.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.7 p -75.84 -166.62 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 65.519999999999996 110.696 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -92.47 132.33 36.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.116 0.484 . . . . 63.100000000000001 110.741 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.76 118.4 28.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.717 -0.845 . . . . 74.230000000000004 108.717 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 p -130.05 -170.05 2.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.57 . . . . 74.239999999999995 111.616 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.51 -32.55 66.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.392 -0.822 . . . . 73.230000000000004 111.342 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -102.9 -0.86 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.684 -0.689 . . . . 75.230000000000004 112.371 -173.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -74.84 103.89 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.249 0.547 . . . . 71.450000000000003 111.457 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -90.86 -8.17 50.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.488 -0.93 . . . . 73.540000000000006 108.488 170.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -143.29 138.64 29.7 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.607 -1.178 . . . . 64.430000000000007 110.329 -177.672 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -130.25 140.03 50.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.147 -0.479 . . . . 70.010000000000005 109.986 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 24.4 m -99.96 124.73 45.62 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.667 -0.697 . . . . 74.209999999999994 110.506 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -139.23 113.25 8.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.658 -0.497 . . . . 71.109999999999999 109.658 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.9 ptp180 -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.523 -0.471 . . . . 75.450000000000003 110.387 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -107.82 116.44 31.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.731 -0.668 . . . . 74.209999999999994 110.698 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -107.25 131.8 53.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.718 -0.674 . . . . 75.310000000000002 109.515 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 91.0 m-85 -107.38 174.28 5.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.695 0.283 . . . . 64.129999999999995 110.871 -176.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.34 -39.79 24.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.298 -0.41 . . . . 75.230000000000004 110.801 -174.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -122.61 156.47 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 35.200000000000003 110.393 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.3 m -64.47 -25.87 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.986 -0.552 . . . . 70.010000000000005 111.744 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.8 88.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 54.049999999999997 111.125 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 55.0 mt-10 -63.91 -31.27 72.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.065 0.459 . . . . 42.32 110.551 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -66.33 -46.73 75.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 71.329999999999998 110.553 178.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.53 -37.7 84.71 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.118 -0.492 . . . . 75.510000000000005 110.819 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HD3' ' A' ' 77' ' ' LYS . 83.2 mt -64.83 -47.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.836 -0.62 . . . . 71.299999999999997 110.732 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.76 -42.03 99.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.532 -0.304 . . . . 61.350000000000001 110.519 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 56.8 mm-40 -53.2 -53.34 52.06 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.347 0.594 . . . . 60.130000000000003 110.109 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.91 -41.07 95.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.531 -0.759 . . . . 50.149999999999999 111.986 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HG2' HD21 ' A' ' 37' ' ' LEU . 5.6 mptp? -63.56 -50.82 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 73.519999999999996 111.33 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -64.22 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.657 -0.247 . . . . 75.329999999999998 111.619 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 95.1 mtt180 -59.94 -43.15 95.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.207 0.527 . . . . 74.019999999999996 111.006 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -78.7 -16.39 57.32 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.883 -0.599 . . . . 74.349999999999994 111.394 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 37' ' ' LEU . 11.4 tp . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.222 0.534 . . . . 74.329999999999998 109.884 178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 120.757 0.313 . . . . 42.549999999999997 110.559 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.67 -159.26 24.75 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.591 -0.814 . . . . 61.439999999999998 111.492 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -92.96 129.74 38.77 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.324 -0.621 . . . . 72.510000000000005 109.324 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.4 mm -118.61 162.09 17.02 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.038 -0.528 . . . . 64.230000000000004 109.845 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.16 62.05 4.56 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.345 -0.455 . . . . 73.420000000000002 112.744 -176.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -124.25 161.68 25.29 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.761 -0.459 . . . . 73.299999999999997 109.761 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.577 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 62.4 mt -78.05 -66.65 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.162 -0.681 . . . . 71.140000000000001 109.162 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.1 mt -91.54 134.45 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 71.230000000000004 109.726 173.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -102.6 -163.79 1.03 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.756 -0.656 . . . . 72.420000000000002 109.853 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -61.54 163.88 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.889 0.376 . . . . 71.010000000000005 110.318 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.48 -168.91 32.94 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.506 -0.854 . . . . 51.409999999999997 111.985 -176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -93.47 -27.16 16.85 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.147 0.499 . . . . 71.420000000000002 109.918 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.0 17.41 11.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 71.519999999999996 110.804 178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 64' ' ' LYS . 24.2 t -105.51 125.44 60.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.988 -0.551 . . . . 71.430000000000007 110.417 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -134.35 125.57 27.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.525 0.202 . . . . 64.519999999999996 110.674 177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 1.052 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 2.8 p30 -108.18 145.97 33.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.443 0.639 . . . . 71.329999999999998 111.896 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.29 134.86 54.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 114.993 -1.003 . . . . 73.340000000000003 109.096 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.2 m -110.82 110.64 21.34 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.547 -0.751 . . . . 52.450000000000003 109.831 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.67 144.95 14.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 73.510000000000005 110.441 -174.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -125.07 137.01 54.21 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.288 -0.415 . . . . 73.430000000000007 110.003 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.58 167.79 9.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 123.356 0.41 . . . . 62.119999999999997 110.594 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -59.75 -45.06 93.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.229 0.455 . . . . 65.239999999999995 112.229 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 p -124.3 156.68 36.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.096 0.474 . . . . 51.409999999999997 111.939 -173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.777 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 28.3 ttpp -65.16 -36.83 85.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.385 -0.825 . . . . 65.310000000000002 109.215 175.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -52.66 -46.71 67.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.192 -0.913 . . . . 74.329999999999998 111.294 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.36 -44.06 88.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.128 -0.487 . . . . 61.210000000000001 110.474 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' ' 24' ' ' LYS . 95.3 mt -57.27 -46.49 83.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.803 -0.635 . . . . 64.150000000000006 110.756 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.45 -37.75 88.48 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.064 -0.517 . . . . 63.210000000000001 111.434 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.1 m -62.2 -43.78 98.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.063 0.459 . . . . 74.400000000000006 110.8 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -43.81 62.37 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.937 -0.574 . . . . 65.400000000000006 110.789 177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 61' ' ' ALA . 17.8 tp -57.47 -42.15 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.025 -0.534 . . . . 71.409999999999997 110.804 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.27 66.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.684 -0.689 . . . . 70.010000000000005 111.129 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 58.2 mmtt -76.07 -29.17 57.87 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.178 -0.465 . . . . 62.140000000000001 111.249 178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -71.78 -41.66 68.08 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.961 -0.385 . . . . 75.019999999999996 109.961 173.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 31' ' ' LEU . 66.6 mt -61.65 -37.92 79.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.505 0.669 . . . . 73.329999999999998 109.975 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.05 -46.38 89.42 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 115.263 -0.88 . . . . 74.439999999999998 110.558 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 81' ' ' LEU . 1.2 tt -63.26 -37.13 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.83 -0.623 . . . . 74.340000000000003 109.853 176.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.17 -45.91 82.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.853 -0.612 . . . . 70.019999999999996 110.824 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -65.57 -24.2 67.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 111.184 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -74.24 -29.33 61.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 54.409999999999997 110.299 178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -90.75 -45.48 14.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 63.210000000000001 110.466 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.8 t -147.08 109.16 4.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.011 -0.541 . . . . 75.129999999999995 110.292 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.78 -28.87 69.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.924 0.393 . . . . 64.439999999999998 110.849 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.13 24.35 13.85 Favored Glycine 0 N--CA 1.451 -0.3 0 CA-C-N 115.939 -0.573 . . . . 52.130000000000003 112.527 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG21 ' HB3' ' A' ' 63' ' ' PHE . 14.0 p -70.23 138.48 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.771 0.319 . . . . 65.310000000000002 110.539 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -114.32 133.7 55.48 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.965 -0.754 . . . . 71.430000000000007 108.965 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.1 p90 -140.78 149.04 41.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.111 0.481 . . . . 61.409999999999997 112.287 -174.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.577 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 14.5 m120 -124.11 167.21 14.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.253 -0.885 . . . . 75.530000000000001 109.109 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.44 153.13 25.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.203 -0.666 . . . . 73.519999999999996 109.203 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 m -62.97 174.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.766 0.317 . . . . 65.109999999999999 110.405 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -67.06 118.5 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.703 0.763 . . . . 74.430000000000007 110.254 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.777 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 94.8 mt -93.71 118.9 32.01 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.238 -0.892 . . . . 73.049999999999997 110.536 -175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.4 p -139.18 -170.58 2.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.727 -0.67 . . . . 71.150000000000006 109.937 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.74 -22.22 56.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.876 0.369 . . . . 74.120000000000005 110.083 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -103.2 12.59 35.48 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.668 0.618 . . . . 72.319999999999993 112.668 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 p -89.61 98.25 11.66 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.328 -0.549 . . . . 63.32 110.263 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 57' ' ' LYS . 3.7 mppt? -94.46 3.54 55.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.352 -0.981 . . . . 70.519999999999996 108.352 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -145.26 139.59 27.23 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 114.5 -1.227 . . . . 73.25 108.95 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 27' ' ' LEU . 1.9 pt? -145.37 148.62 33.56 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.044 0.45 . . . . 75.540000000000006 110.405 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -121.79 106.04 10.92 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.641 -0.709 . . . . 70.319999999999993 110.04 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' A' ' 31' ' ' LEU . . . -110.58 123.37 49.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.113 -0.494 . . . . 71.209999999999994 110.27 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 1.052 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -110.82 127.89 55.56 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.297 0.57 . . . . 75.409999999999997 111.951 -177.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.417 ' HB3' HG21 ' A' ' 45' ' ' VAL . 58.8 m-85 -102.98 119.54 39.03 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.56 -1.2 . . . . 72.439999999999998 109.061 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HB3' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -100.43 137.93 38.18 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.33 -0.619 . . . . 64.329999999999998 109.33 174.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . 94.2 m-85 -109.88 -172.68 2.09 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.466 -0.788 . . . . 71.010000000000005 110.082 -174.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -84.03 -37.79 21.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.077 0.465 . . . . 75.340000000000003 110.234 -178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.9 m -131.39 157.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.013 -0.539 . . . . 75.450000000000003 110.555 177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 56.1 m -66.18 -20.16 66.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.034 0.445 . . . . 74.209999999999994 111.332 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -65.31 -39.21 92.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.794 -0.639 . . . . 53.450000000000003 110.55 177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 62.1 mt-10 -65.75 -33.81 76.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 74.430000000000007 110.633 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 26.0 ttpp -59.22 -56.05 27.13 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 115.769 -0.65 . . . . 74.109999999999999 109.539 175.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.5 mt -54.04 -45.19 71.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.402 -1.272 . . . . 73.019999999999996 111.336 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 69' ' ' ALA . 89.3 mt -59.32 -45.07 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 71.299999999999997 110.813 178.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.49 -42.14 98.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.368 -0.378 . . . . 70.5 110.374 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 46.2 mt-10 -64.05 -40.69 96.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 110.694 177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.8 mt -64.91 -44.55 89.2 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 116.504 -0.316 . . . . 65.340000000000003 111.506 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -68.37 -40.0 81.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.604 -0.271 . . . . 61.119999999999997 111.625 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 10.7 p -65.5 -21.84 66.66 Favored 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 121.046 -0.262 . . . . 61.119999999999997 111.565 -178.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.47 ' O ' ' HG3' ' A' ' 83' ' ' ARG . 29.4 mmt180 -60.52 -43.89 96.64 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.742 0.306 . . . . 72.25 111.382 176.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.9 m -80.86 -13.36 59.0 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.897 0.38 . . . . 73.400000000000006 111.731 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 37' ' ' LEU . 11.7 tp -94.38 -39.4 10.48 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.282 -0.417 . . . . 74.430000000000007 111.049 -178.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.14 17.53 9.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.278 0.473 . . . . 64.310000000000002 112.278 -172.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 79' ' ' ARG . 38.1 mtm180 -94.81 -179.8 4.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.11 -0.7 . . . . 71.200000000000003 109.11 172.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 55.9 mt 54.11 80.11 0.12 Allowed 'General case' 0 N--CA 1.448 -0.549 0 O-C-N 123.552 0.532 . . . . 72.319999999999993 109.733 -172.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.3 134.49 27.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.325 -0.852 . . . . 54.350000000000001 110.163 -176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -118.89 8.0 11.63 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.253 -0.885 . . . . 74.439999999999998 111.701 -167.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -86.75 95.68 9.9 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.394 -0.965 . . . . 75.450000000000003 108.394 170.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -142.51 21.88 2.01 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.44 -0.8 . . . . 60.439999999999998 109.32 -172.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 74.17 -25.93 0.19 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.847 -1.069 . . . . 71.319999999999993 111.625 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -70.73 -20.95 62.59 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 107.744 -1.206 . . . . 53.310000000000002 107.744 166.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 C--O 1.244 0.782 0 CA-C-N 113.831 -1.531 . . . . 70.120000000000005 107.029 171.677 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.942 0.401 . . . . 70.430000000000007 111.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.08 81.17 0.3 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.206 -1.158 . . . . 43.520000000000003 110.206 174.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.35 96.9 1.93 Allowed 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.786 0.803 . . . . 64.239999999999995 113.081 -170.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.45 HG22 ' H ' ' A' ' 5' ' ' GLY . 16.2 mt -85.66 169.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 107.429 -1.323 . . . . 74.409999999999997 107.429 169.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.45 ' H ' HG22 ' A' ' 4' ' ' ILE . . . -67.74 53.98 0.35 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 113.906 0.322 . . . . 74.0 113.906 -178.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -124.44 168.14 13.45 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.185 -0.672 . . . . 74.230000000000004 109.185 174.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.415 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 39.4 mm -79.38 -58.3 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.849 0.356 . . . . 71.129999999999995 110.704 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.7 mt -80.62 137.49 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.186 -0.461 . . . . 74.530000000000001 111.33 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 24.8 pttt -106.22 -169.7 1.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 61.520000000000003 110.67 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -67.82 163.34 22.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.471 -0.331 . . . . 73.200000000000003 111.3 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.74 172.26 39.62 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.441 -0.664 . . . . 75.120000000000005 111.441 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -76.86 -27.89 55.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 42.219999999999999 111.214 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.12 4.14 46.82 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.024 -0.535 . . . . 52.399999999999999 110.59 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.5 t -107.38 120.46 58.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.991 -0.549 . . . . 60.310000000000002 110.455 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.853 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -113.75 104.59 12.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.202 -0.453 . . . . 74.239999999999995 110.179 176.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 1.012 ' HB3' ' HB3' ' A' ' 62' ' ' ARG . 4.8 p-10 -96.19 128.78 43.41 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 121.511 0.672 . . . . 74.040000000000006 110.159 174.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.05 133.47 60.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.115 0 CA-C-N 114.727 -1.124 . . . . 63.119999999999997 109.511 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.6 m -97.91 113.48 25.32 Favored 'General case' 0 C--N 1.306 -1.319 0 N-CA-C 108.465 -0.939 . . . . 65.349999999999994 108.465 174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 20.0 mt -96.11 136.18 27.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.348 -0.612 . . . . 74.409999999999997 109.348 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.05 127.57 55.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.57 -0.741 . . . . 74.439999999999998 109.94 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.83 179.45 6.23 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.529 -0.759 . . . . 51.229999999999997 109.817 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -74.19 -42.42 59.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.873 0.368 . . . . 72.209999999999994 110.519 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.3 p -137.25 171.18 14.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.389 -0.369 . . . . 61.539999999999999 111.535 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.612 ' HG2' HD12 ' A' ' 52' ' ' LEU . 2.2 tmpt? -57.32 -42.04 81.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.516 -0.766 . . . . 74.540000000000006 110.292 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.12 -46.94 81.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.88 -0.6 . . . . 75.140000000000001 111.323 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.42 80.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 64.439999999999998 110.171 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.3 tp -59.03 -46.94 86.95 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.69 -0.686 . . . . 73.400000000000006 110.269 176.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' HG3' HD11 ' A' ' 52' ' ' LEU . 20.8 mt-10 -59.27 -41.66 89.39 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.76 -0.655 . . . . 74.200000000000003 111.613 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 22.6 t -59.51 -52.3 66.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.119 0.485 . . . . 63.200000000000003 110.45 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -63.45 -41.61 98.64 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.583 -0.735 . . . . 73.209999999999994 111.108 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 35' ' ' ILE . 24.9 tp -59.03 -48.52 81.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.222 -0.445 . . . . 74.319999999999993 110.459 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.08 -38.3 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.569 -0.742 . . . . 53.399999999999999 111.265 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 29' ' ' SER . 94.5 mttt -64.7 -41.97 95.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 70.120000000000005 111.073 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -71.03 -34.27 71.14 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.454 . . . . 61.140000000000001 110.746 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -64.62 -41.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.132 0.492 . . . . 54.530000000000001 110.095 174.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.02 -42.78 94.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.84 -0.618 . . . . 52.32 110.616 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.7 -38.57 85.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 71.310000000000002 109.996 176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.14 89.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.836 -0.62 . . . . 52.310000000000002 110.863 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -67.6 -21.98 65.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 41.530000000000001 111.283 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.7 t -76.71 -19.92 57.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 74.439999999999998 110.393 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.72 -50.23 9.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.998 0.427 . . . . 53.109999999999999 110.737 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.492 ' CB ' ' HD1' ' A' ' 65' ' ' PHE . 52.1 t -131.04 121.04 24.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.832 -0.622 . . . . 63.399999999999999 110.203 -173.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.9 -39.93 41.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.812 -0.631 . . . . 54.420000000000002 110.924 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.78 34.22 4.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.102 -0.57 . . . . 75.530000000000001 112.6 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.11 126.68 33.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.436 0.636 . . . . 74.140000000000001 111.145 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' A' ' 64' ' ' LYS . 10.1 pt-20 -110.35 127.04 54.86 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.957 -0.757 . . . . 64.409999999999997 108.957 175.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.473 ' HB3' ' HA ' ' A' ' 63' ' ' PHE . 38.1 p90 -137.78 153.77 49.64 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.346 -0.542 . . . . 73.140000000000001 112.208 -170.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 13.2 m120 -124.78 167.18 14.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.01 -0.995 . . . . 70.219999999999999 108.581 170.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' THR . 8.3 p -161.77 145.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.277 -0.42 . . . . 64.099999999999994 110.502 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.45 152.99 28.39 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.566 -0.531 . . . . 73.319999999999993 109.566 174.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.2 pm0 -81.0 124.89 29.52 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.43 0.634 . . . . 64.109999999999999 109.67 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.692 ' H ' HD23 ' A' ' 52' ' ' LEU . 2.3 pt? -93.45 115.31 27.84 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.4 -0.818 . . . . 55.25 110.174 -175.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -106.82 -172.29 2.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.28 -0.873 . . . . 64.439999999999998 109.436 -178.528 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' H ' HG22 ' A' ' 53' ' ' THR . 7.7 mm-40 -59.02 -36.05 74.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.024 0.44 . . . . 73.25 111.563 -176.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.28 2.49 55.42 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.565 . . . . 71.420000000000002 112.153 -177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.8 m -91.87 102.82 15.41 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.06 0.457 . . . . 74.310000000000002 111.064 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 10.52 40.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.482 0.658 . . . . 73.120000000000005 109.652 173.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -147.73 154.34 40.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.9 -1.045 . . . . 72.420000000000002 109.463 174.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.56 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.4 pt? -154.41 148.54 25.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.157 -0.312 . . . . 73.430000000000007 110.157 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.449 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 62.8 m -106.05 110.74 23.1 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.22 -0.445 . . . . 73.140000000000001 110.765 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.59 126.47 54.94 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.87 -0.605 . . . . 55.130000000000003 110.33 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 1.012 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -116.48 118.66 33.27 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.163 0.506 . . . . 75.349999999999994 111.333 177.244 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.473 ' HA ' ' HB3' ' A' ' 47' ' ' TYR . 36.0 m-85 -97.68 119.3 36.01 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.021 -0.99 . . . . 72.340000000000003 109.388 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HB3' ' HG3' ' A' ' 46' ' ' GLU . 48.5 tttm -92.22 114.97 27.66 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.389 -0.597 . . . . 71.439999999999998 109.389 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 63.1 m-85 -90.33 179.49 5.87 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.663 -0.699 . . . . 63.240000000000002 109.929 -179.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -55.5 -58.95 5.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.48 0.657 . . . . 61.43 109.912 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.41 -174.68 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.217 -0.901 . . . . 73.109999999999999 110.073 -177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.437 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 20.7 m -65.77 -30.71 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.411 . . . . 53.439999999999998 111.093 -177.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -57.92 -49.07 78.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.531 -0.759 . . . . 64.540000000000006 111.424 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 4.7 mm-40 -61.83 -37.56 84.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.972 -0.558 . . . . 74.540000000000006 110.156 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.853 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -62.98 -49.3 75.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.427 -0.806 . . . . 74.450000000000003 110.224 -178.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 89.3 mt -62.05 -44.82 95.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.363 -0.835 . . . . 75.549999999999997 111.281 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 69' ' ' ALA . 43.6 mm -59.99 -42.23 88.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-O 120.936 0.398 . . . . 70.510000000000005 110.962 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.24 -47.69 84.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 74.340000000000003 110.319 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 30.8 mt-10 -62.62 -38.33 89.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.038 -0.528 . . . . 72.450000000000003 111.236 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 80.4 mt -59.44 -43.39 93.14 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.997 0.427 . . . . 55.340000000000003 110.869 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.47 -42.94 77.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 70.420000000000002 111.015 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.453 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 32.6 p -66.88 -28.67 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.023 -0.271 . . . . 71.030000000000001 111.619 -179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.6 OUTLIER -58.81 -43.83 90.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.068 0.461 . . . . 71.010000000000005 111.098 176.499 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.5 m -78.76 -17.3 56.01 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.893 -0.594 . . . . 73.010000000000005 111.453 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp -92.45 -39.02 11.65 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.133 -0.485 . . . . 72.219999999999999 110.413 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.35 15.94 11.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.633 0.73 . . . . 72.549999999999997 110.035 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.437 ' HG2' ' HG2' ' A' ' 85' ' ' GLU . 26.6 ttp180 -67.87 150.64 48.31 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.562 -1.199 . . . . 70.549999999999997 109.689 176.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.03 26.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.275 0.472 . . . . 71.329999999999998 112.275 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.437 ' HG2' ' HG2' ' A' ' 83' ' ' ARG . 13.3 pt-20 -154.14 154.67 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.55 0.691 . . . . 75.109999999999999 111.578 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.82 -19.31 12.87 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.624 -1.171 . . . . 75.209999999999994 109.766 173.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -169.98 -40.9 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.962 -1.017 . . . . 71.420000000000002 108.296 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -166.43 128.68 1.85 Allowed 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 107.545 -1.279 . . . . 75.530000000000001 107.545 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -109.35 -24.85 10.86 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.922 0.392 . . . . 64.150000000000006 110.394 -175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -78.73 125.79 29.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.545 . . . . 74.140000000000001 110.682 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 21.1 m80 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.275 -0.869 . . . . 73.150000000000006 109.824 175.795 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.654 0.264 . . . . 63.329999999999998 110.387 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.86 137.24 20.43 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.036 -0.602 . . . . 75.219999999999999 112.273 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -91.51 148.93 21.94 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.975 -0.38 . . . . 75.109999999999999 109.975 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.3 mt -75.19 154.56 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.929 0.395 . . . . 41.409999999999997 110.03 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.6 -46.2 5.83 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.85 -0.613 . . . . 71.209999999999994 112.942 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 55.47 -173.41 0.06 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.169 0.587 . . . . 72.549999999999997 111.347 -174.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.62 -47.2 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.15 -0.685 . . . . 75.040000000000006 109.15 171.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.427 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 69.0 mt -94.98 128.09 46.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.479 -0.782 . . . . 74.340000000000003 109.49 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' H ' ' HD3' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -106.26 -173.47 2.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.296 -0.411 . . . . 63.539999999999999 110.619 -175.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -67.47 167.72 12.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.205 -0.452 . . . . 64.209999999999994 110.96 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.03 -172.92 45.16 Favored Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.427 -0.892 . . . . 74.310000000000002 112.271 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -81.13 -27.94 35.33 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.506 0.67 . . . . 73.329999999999998 110.013 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.87 15.15 24.74 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.244 -0.889 . . . . 54.119999999999997 110.631 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG22 ' HG3' ' A' ' 64' ' ' LYS . 21.5 t -118.74 140.55 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 61.439999999999998 110.7 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.83 139.69 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.673 0.273 . . . . 74.209999999999994 111.019 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -97.27 139.44 33.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.082 0.468 . . . . 73.120000000000005 110.761 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -130.95 135.26 60.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.903 -0.777 . . . . 75.040000000000006 108.903 173.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.3 m -134.3 119.62 18.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 120.826 0.346 . . . . 64.109999999999999 110.503 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 3.4 mp -106.03 143.18 17.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.708 -0.479 . . . . 62.109999999999999 109.708 -178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 23.3 p90 -135.16 143.13 46.32 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.189 -0.459 . . . . 63.530000000000001 110.436 176.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.559 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.25 178.59 6.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.911 -0.586 . . . . 63.420000000000002 110.02 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.501 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 5.6 mm-40 -81.87 -36.09 28.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.0 0.37 . . . . 70.230000000000004 112.0 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.3 p -109.36 142.26 40.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.794 0.33 . . . . 75.340000000000003 111.155 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -58.55 -36.29 73.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.151 0.501 . . . . 74.25 109.773 176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -55.92 -44.17 78.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.218 -0.901 . . . . 72.430000000000007 111.143 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.9 97.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.719 0.295 . . . . 53.340000000000003 110.639 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.2 mp -56.26 -55.08 37.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.778 -0.646 . . . . 43.219999999999999 110.177 173.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.87 -39.49 92.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.451 -0.795 . . . . 71.219999999999999 111.756 -177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.537 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 42.4 m -66.36 -47.52 73.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.726 0.298 . . . . 71.310000000000002 111.41 -178.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.03 -40.16 75.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.103 0.478 . . . . 71.439999999999998 110.179 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 59' ' ' LEU . 2.3 tm? -59.54 -45.48 91.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 74.540000000000006 110.064 177.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.91 73.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.469 -0.787 . . . . 72.129999999999995 111.331 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 29' ' ' SER . 92.7 mttt -61.26 -44.83 96.61 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.101 0.477 . . . . 74.5 110.566 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -69.07 -36.85 78.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.837 -0.62 . . . . 74.010000000000005 111.13 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.7 mt -66.62 -39.97 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.048 0.452 . . . . 73.209999999999994 110.125 174.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.12 -40.31 95.91 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.964 -0.562 . . . . 73.319999999999993 111.026 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -66.5 -38.16 86.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.981 -0.554 . . . . 70.420000000000002 109.543 175.141 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.3 91.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.76 -0.655 . . . . 65.219999999999999 111.068 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.39 -30.53 71.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.45 -0.341 . . . . 74.209999999999994 111.113 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 t -73.78 -33.71 64.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.963 0.411 . . . . 62.43 110.13 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 83.9 t -82.56 -39.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.079 -0.51 . . . . 72.349999999999994 110.952 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 49.0 t -130.46 126.19 36.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.058 0.456 . . . . 65.150000000000006 110.355 -175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.08 -54.66 22.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.663 -0.698 . . . . 63.530000000000001 110.974 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.94 52.18 0.67 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.776 -0.726 . . . . 75.430000000000007 112.698 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.2 p -73.66 125.78 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.142 0.496 . . . . 53.340000000000003 110.642 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.39 119.2 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.402 -0.592 . . . . 74.040000000000006 109.402 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 14.9 p90 -130.79 142.22 50.39 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.44 0.638 . . . . 61.539999999999999 112.238 -174.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -108.84 167.2 10.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.234 -0.894 . . . . 65.540000000000006 109.196 171.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.0 t -146.53 147.35 18.05 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.86 -0.609 . . . . 73.400000000000006 109.364 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -70.4 167.33 18.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.805 -0.443 . . . . 70.450000000000003 109.805 174.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -82.52 129.64 34.96 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.109 0.48 . . . . 64.299999999999997 110.455 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.555 HD21 HD13 ' A' ' 59' ' ' LEU . 87.2 mt -83.6 123.54 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 71.019999999999996 110.453 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.2 p -121.13 -177.79 3.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.748 -0.66 . . . . 70.310000000000002 110.264 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -72.22 -36.21 69.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.122 0.487 . . . . 73.219999999999999 111.162 179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -97.13 -7.97 31.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.749 -0.66 . . . . 54.219999999999999 112.71 -171.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -66.12 116.78 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.358 0.599 . . . . 71.209999999999994 112.441 -175.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 5.5 mptp? -88.5 -22.22 23.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.918 -1.037 . . . . 64.409999999999997 110.302 173.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -131.97 158.73 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 70.310000000000002 111.253 -176.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.578 HD11 ' HG ' ' A' ' 31' ' ' LEU . 2.7 pt? -146.78 140.47 25.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.863 -0.608 . . . . 74.420000000000002 109.848 173.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.0 m -104.08 118.67 37.22 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.09 -0.504 . . . . 65.120000000000005 110.769 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -110.54 122.99 49.1 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.698 -0.683 . . . . 63.119999999999997 109.299 176.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 42.8 ttm180 -108.11 116.38 31.85 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.11 -176.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.5 113.4 26.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 75.439999999999998 111.141 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HG3' HG22 ' A' ' 14' ' ' VAL . 33.1 tttm -97.37 120.99 38.74 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.377 -0.601 . . . . 71.010000000000005 109.377 171.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 77.0 m-85 -93.75 -176.76 4.15 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.695 -0.483 . . . . 74.120000000000005 109.695 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -93.71 -36.16 12.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.028 0.442 . . . . 74.319999999999993 110.154 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -127.24 150.53 33.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.572 -0.74 . . . . 44.130000000000003 109.16 172.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 m -71.62 -12.29 61.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.057 0.456 . . . . 71.040000000000006 111.133 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 35.240000000000002 110.019 173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 61.1 mt-10 -59.21 -35.47 73.68 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 75.420000000000002 110.152 178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HA ' ' CE2' ' A' ' 65' ' ' PHE . 24.0 ttpp -59.04 -57.65 12.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.392 -0.822 . . . . 72.140000000000001 110.007 177.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.9 mt -54.76 -45.21 74.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.753 -1.112 . . . . 62.219999999999999 111.309 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.1 mt -59.15 -45.35 92.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.757 0.313 . . . . 74.099999999999994 110.969 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.403 ' HE1' ' HB3' ' A' ' 37' ' ' LEU . 84.6 t80 -65.2 -43.87 90.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.169 -0.468 . . . . 63.240000000000002 110.556 179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 44.8 mt-10 -62.31 -39.08 91.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 72.049999999999997 110.748 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.42 -43.3 97.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.29 -0.414 . . . . 63.32 111.787 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -72.92 -36.83 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.553 -0.294 . . . . 74.319999999999993 111.694 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.8 p -70.24 -35.22 73.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.764 -0.198 . . . . 60.100000000000001 111.22 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 92.4 mtt180 -56.22 -44.5 79.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.965 0.412 . . . . 61.340000000000003 111.38 177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -80.7 -19.31 45.41 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.038 -0.528 . . . . 60.219999999999999 112.235 -176.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 tp -95.42 -38.69 10.36 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.025 0.44 . . . . 73.049999999999997 111.249 -176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -102.03 16.38 26.2 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.099 -0.501 . . . . 73.310000000000002 112.054 -171.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -85.15 165.01 17.79 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.457 -0.942 . . . . 74.150000000000006 108.457 174.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.9 mt -77.74 50.77 0.87 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.206 0.527 . . . . 75.420000000000002 110.474 175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 67.73 169.22 0.26 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.639 -1.164 . . . . 73.219999999999999 111.398 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -110.52 79.82 1.25 Allowed 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.781 -1.563 . . . . 72.230000000000004 106.781 163.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -71.25 96.77 1.45 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.494 -0.776 . . . . 73.299999999999997 111.701 -165.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -89.79 147.17 23.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.663 -0.699 . . . . 74.540000000000006 109.762 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -101.85 -33.75 9.68 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.977 -0.289 . . . . 74.530000000000001 110.542 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -157.33 136.65 11.97 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.278 -0.267 . . . . 71.549999999999997 110.278 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.762 -0.637 . . . . 37.039999999999999 110.284 179.492 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.96 0.41 . . . . 53.140000000000001 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.01 -128.5 4.48 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.273 -0.731 . . . . 74.030000000000001 111.273 176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -131.85 136.92 47.83 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.805 -0.813 . . . . 71.420000000000002 108.805 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.519 ' HB ' ' NH2' ' A' ' 62' ' ' ARG . 7.8 mm -65.02 153.24 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.889 0.376 . . . . 72.450000000000003 110.681 -173.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -100.52 69.74 0.47 Allowed Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.725 -0.671 . . . . 70.310000000000002 112.735 -172.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -99.69 178.75 4.75 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.353 -0.424 . . . . 74.420000000000002 110.052 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.5 mt -67.75 -53.26 32.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.431 -0.581 . . . . 72.129999999999995 109.431 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.7 mt -89.42 126.37 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 53.219999999999999 109.741 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HA ' ' NH1' ' A' ' 62' ' ' ARG . 55.7 mtmt -96.0 -177.83 4.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.08 -0.509 . . . . 65.030000000000001 110.726 -178.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -66.75 168.18 9.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.405 0.622 . . . . 72.200000000000003 112.205 -175.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.35 177.86 40.25 Favored Glycine 0 N--CA 1.44 -1.043 0 CA-C-N 115.304 -0.862 . . . . 53.32 111.343 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -74.93 -17.44 60.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.766 0.317 . . . . 50.450000000000003 111.758 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -101.65 3.33 39.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.122 0.487 . . . . 74.319999999999993 109.894 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -111.36 136.51 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 73.340000000000003 111.318 -173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -131.53 109.98 10.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.727 -0.669 . . . . 72.239999999999995 109.735 174.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -96.92 134.98 39.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.231 0.538 . . . . 73.219999999999999 110.606 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.2 p -141.04 153.38 20.44 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 CA-C-N 115.504 -0.771 . . . . 50.229999999999997 111.165 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.0 m -134.19 127.05 31.18 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.564 -0.744 . . . . 65.420000000000002 109.752 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 27.2 mt -98.59 142.51 14.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.635 -0.506 . . . . 73.120000000000005 109.635 179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -126.63 140.03 52.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.754 0.311 . . . . 63.420000000000002 110.648 -178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.61 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -173.78 157.03 2.98 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.964 -0.754 . . . . 54.149999999999999 108.964 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 57' ' ' LYS . 70.9 mm-40 -74.2 -23.22 59.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.171 0.434 . . . . 73.450000000000003 112.171 -174.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -114.6 139.92 49.22 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.508 -0.477 . . . . 70.140000000000001 111.014 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 53' ' ' THR . 26.4 ttpp -62.35 -34.65 77.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.421 0.629 . . . . 61.020000000000003 109.711 178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.73 -38.21 81.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.197 -0.91 . . . . 55.240000000000002 110.599 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.38 83.55 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 110.077 -0.342 . . . . 72.549999999999997 110.077 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 21' ' ' ALA . 9.9 mp -55.72 -55.72 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.74 -0.664 . . . . 72.430000000000007 110.112 173.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.6 -41.18 98.81 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.499 -0.773 . . . . 74.420000000000002 111.955 -176.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.7 m -65.63 -43.45 89.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.587 0.232 . . . . 63.310000000000002 111.589 -177.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 17.3 tt0 -76.32 -34.38 59.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.836 0.35 . . . . 74.430000000000007 110.163 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' ILE . 38.3 tp -52.57 -47.97 66.48 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.852 -0.613 . . . . 74.299999999999997 110.524 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.95 -35.91 64.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.24 -0.891 . . . . 52.310000000000002 111.31 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.34 -44.16 88.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.209 0.528 . . . . 74.150000000000006 110.341 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.1 m-85 -65.89 -37.88 87.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.492 -0.777 . . . . 60.100000000000001 110.727 -179.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 31' ' ' LEU . 75.1 mt -63.27 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.318 -0.401 . . . . 73.099999999999994 110.549 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -63.85 -44.68 92.41 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.117 0.484 . . . . 72.420000000000002 110.098 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 41' ' ' VAL . 94.5 mt -63.16 -32.87 74.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.91 -0.587 . . . . 73.329999999999998 111.033 176.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -47.72 71.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.265 -0.425 . . . . 53.310000000000002 110.483 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -70.76 -25.36 62.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.14 0.495 . . . . 75.200000000000003 110.912 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 t -66.57 -41.55 88.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.678 -0.692 . . . . 74.549999999999997 109.768 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 37' ' ' LEU . 66.0 t -79.26 -52.97 14.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.171 -0.468 . . . . 61.119999999999997 110.697 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.4 t -128.45 118.95 23.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.182 0.515 . . . . 71.329999999999998 110.693 -175.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.04 79.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.716 -0.675 . . . . 53.329999999999998 111.115 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -106.75 33.04 6.71 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.479 -0.867 . . . . 65.129999999999995 112.567 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.568 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.5 p -62.82 127.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.191 0.519 . . . . 64.430000000000007 111.258 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -96.42 135.5 38.21 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.61 -0.723 . . . . 62.539999999999999 109.225 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.684 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 8.5 p90 -143.82 139.57 29.39 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.56 0.695 . . . . 74.340000000000003 112.862 -176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 14.6 m120 -112.46 167.8 10.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.865 -1.161 . . . . 70.5 107.865 170.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.4 p -156.63 152.24 8.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 110.227 -0.286 . . . . 74.340000000000003 110.227 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 m -66.98 165.36 15.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.941 0.401 . . . . 75.530000000000001 110.304 176.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -86.32 129.4 34.86 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.132 -0.485 . . . . 72.329999999999998 109.84 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.4 mt -75.97 125.6 29.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 71.439999999999998 110.75 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' HD3' ' A' ' 24' ' ' LYS . 24.8 p -116.8 -179.11 3.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.362 -0.607 . . . . 74.239999999999995 109.362 176.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -76.1 -30.29 58.2 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 120.883 -0.327 . . . . 65.519999999999996 111.784 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.6 25.5 11.73 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 111.876 0.324 . . . . 73.030000000000001 111.876 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 m -65.68 120.58 13.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 72.230000000000004 111.714 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.54 ' HG3' ' HA ' ' A' ' 22' ' ' GLU . 2.7 mptm? -107.01 -1.95 21.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.155 0.502 . . . . 73.25 109.995 169.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -149.24 154.79 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.727 -0.67 . . . . 73.219999999999999 110.611 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -152.12 140.38 20.41 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.847 -0.615 . . . . 73.209999999999994 109.369 170.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 m -105.57 128.48 53.63 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.884 -0.598 . . . . 53.409999999999997 110.114 -176.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.5 117.85 31.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.933 -0.576 . . . . 50.530000000000001 110.14 -178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.684 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 17.7 tpp85 -95.89 114.16 25.85 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.478 -0.783 . . . . 73.329999999999998 109.623 -178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.4 m-85 -112.65 124.77 53.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.725 0.297 . . . . 62.530000000000001 111.305 -178.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -115.79 123.87 49.32 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.241 -0.652 . . . . 73.540000000000006 109.241 170.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 71' ' ' LYS . 85.3 m-85 -90.93 -176.03 4.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.766 -0.652 . . . . 74.420000000000002 110.281 -177.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -93.19 -28.11 16.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 121.152 0.501 . . . . 75.230000000000004 110.083 -175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -134.49 160.13 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.705 -0.679 . . . . 54.350000000000001 110.001 171.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.6 m -68.86 -23.78 64.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.008 0.432 . . . . 73.049999999999997 111.721 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.65 67.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.098 -0.501 . . . . 71.120000000000005 111.43 -179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 71.3 mt-10 -68.44 -29.24 67.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.409 -0.36 . . . . 63.329999999999998 110.777 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 61.8 tttp -56.25 -60.33 3.66 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.677 0.751 . . . . 74.25 109.709 173.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -51.94 -48.0 64.46 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 113.812 -1.54 . . . . 73.120000000000005 111.68 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -59.88 -45.64 94.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 120.801 0.334 . . . . 72.340000000000003 111.148 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -66.62 -42.81 86.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.345 -0.389 . . . . 65.420000000000002 110.466 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -64.2 -36.82 85.3 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.167 -0.469 . . . . 51.109999999999999 110.994 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.68 -39.56 93.87 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.3 -0.409 . . . . 63.009999999999998 111.428 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -79.36 -32.74 43.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.769 0.285 . . . . 72.340000000000003 111.769 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.0 p -74.1 -29.35 61.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.0 -0.28 . . . . 70.140000000000001 111.573 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.2 mmt85 -55.32 -42.92 74.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.946 0.403 . . . . 63.240000000000002 111.841 175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.5 m -65.45 -30.63 71.44 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.284 -0.416 . . . . 63.450000000000003 111.758 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mt -79.35 -42.54 25.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.355 0.598 . . . . 70.120000000000005 109.631 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.22 92.98 2.92 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.989 -1.005 . . . . 70.420000000000002 110.541 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -87.91 -3.46 58.92 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.711 -0.677 . . . . 74.540000000000006 110.371 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 77.5 mt -111.31 34.98 3.78 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.638 -0.71 . . . . 70.409999999999997 111.211 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -76.31 161.39 28.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.179 0.514 . . . . 75.299999999999997 111.498 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -113.08 135.66 53.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.5 -0.773 . . . . 62.340000000000003 109.392 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -85.09 142.96 29.16 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.528 -0.545 . . . . 64.219999999999999 109.528 -172.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -91.36 26.34 2.28 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.303 0.573 . . . . 74.209999999999994 110.734 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -138.66 104.96 5.25 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.579 -0.737 . . . . 74.5 109.411 176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -130.99 100.78 5.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.09 0.472 . . . . 74.420000000000002 111.303 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 C--O 1.243 0.737 0 CA-C-O 118.436 -0.792 . . . . 72.5 109.203 174.138 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 110.081 -0.341 . . . . 61.409999999999997 110.081 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.58 84.01 1.73 Allowed Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.729 -0.748 . . . . 73.430000000000007 112.268 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.599 ' HG3' ' HD3' ' A' ' 9' ' ' LYS . 41.4 tt0 -91.96 137.19 32.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 63.310000000000002 109.622 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 mt -120.83 166.32 15.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 108.647 -0.871 . . . . 72.099999999999994 108.647 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.77 48.66 1.31 Allowed Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.337 -0.459 . . . . 52.420000000000002 113.25 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.15 175.57 9.46 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.895 -0.78 . . . . 72.120000000000005 108.895 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mm -83.62 -33.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.589 0.709 . . . . 74.219999999999999 110.122 177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 89.0 mt -94.83 124.91 47.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.349 -0.841 . . . . 71.430000000000007 111.433 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.599 ' HD3' ' HG3' ' A' ' 3' ' ' GLU . 9.5 mtmp? -104.06 -168.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.5 -0.773 . . . . 75.209999999999994 110.347 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.82 163.68 9.08 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.442 0.534 . . . . 72.010000000000005 112.442 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.61 -176.5 39.71 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.182 -0.767 . . . . 54.450000000000003 111.182 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.95 -30.44 13.61 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.654 0.74 . . . . 65.530000000000001 109.781 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.6 OUTLIER -81.42 -5.02 57.47 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.961 -1.018 . . . . 72.25 109.941 177.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.66 138.05 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 73.409999999999997 111.098 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.89 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.92 113.4 7.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.74 -0.664 . . . . 70.340000000000003 109.692 174.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.583 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 4.5 p-10 -106.3 142.56 35.78 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.082 0.468 . . . . 72.120000000000005 110.893 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.6 t -124.7 132.57 71.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.557 -0.747 . . . . 63.520000000000003 109.697 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 m -104.88 110.7 23.17 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.289 -0.869 . . . . 71.25 110.042 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 12.4 mt -99.77 136.77 29.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.25 -0.432 . . . . 55.539999999999999 110.151 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -151.35 142.29 22.99 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.867 -0.606 . . . . 75.140000000000001 110.061 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.97 -166.23 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.163 -0.471 . . . . 53.329999999999998 110.226 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.81 -30.65 28.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.399 -0.364 . . . . 74.239999999999995 110.985 -177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -135.27 154.47 51.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.431 -0.35 . . . . 63.299999999999997 111.085 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 2.3 ttmp? -59.21 -34.2 71.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.823 -0.626 . . . . 70.120000000000005 110.854 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.37 -42.86 74.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.636 -0.711 . . . . 74.450000000000003 111.349 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.81 -41.03 92.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 44.439999999999998 110.219 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 HD22 ' A' ' 59' ' ' LEU . 11.2 mp -58.36 -49.09 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.634 . . . . 74.340000000000003 110.507 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 24' ' ' LYS . 49.0 mt-10 -60.24 -42.17 94.69 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.916 -0.584 . . . . 54.109999999999999 111.165 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.1 m -62.47 -52.28 64.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 54.229999999999997 110.969 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -63.77 -40.83 97.66 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.167 -0.47 . . . . 64.409999999999997 111.052 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.9 tp -57.79 -51.22 70.47 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.04 -0.527 . . . . 71.209999999999994 110.307 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.85 -42.5 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.489 -0.778 . . . . 74.140000000000001 111.166 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -63.86 -41.03 97.88 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.29 -0.414 . . . . 72.010000000000005 111.134 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.01 -40.38 75.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.406 -0.361 . . . . 72.140000000000001 111.079 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.412 HG22 ' HE3' ' A' ' 39' ' ' LYS . 67.8 mt -64.69 -43.61 96.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.384 -0.371 . . . . 73.239999999999995 110.428 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -61.16 -46.75 89.23 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.106 -0.497 . . . . 73.219999999999999 110.308 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.05 -35.67 75.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.615 -0.72 . . . . 73.129999999999995 110.062 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.33 86.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.989 -0.551 . . . . 64.219999999999999 110.712 -178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HE3' HG22 ' A' ' 35' ' ' ILE . 85.5 mttt -69.47 -26.62 64.66 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.11 0.481 . . . . 71.219999999999999 110.5 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.5 t -69.06 -36.26 77.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 73.230000000000004 110.226 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.8 t -88.64 -42.22 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.400000000000006 111.387 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' CB ' ' HD2' ' A' ' 65' ' ' PHE . 44.7 t -130.49 135.22 47.73 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.293 0.568 . . . . 71.310000000000002 110.289 -174.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.87 -44.17 20.95 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.466 -0.788 . . . . 72.430000000000007 111.093 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.56 60.03 0.35 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.997 -0.62 . . . . 60.340000000000003 111.947 -177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.06 131.97 37.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.842 0.353 . . . . 64.219999999999999 111.114 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -91.73 140.45 29.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.262 -0.644 . . . . 65.109999999999999 109.262 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.506 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 45.6 p90 -144.47 151.65 39.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.303 0.573 . . . . 72.349999999999994 111.388 177.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 13.1 m120 -120.96 161.63 21.28 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.249 -0.887 . . . . 75.319999999999993 109.437 175.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 HD12 ' A' ' 59' ' ' LEU . 60.4 t -141.02 149.81 20.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 CA-C-N 115.362 -0.835 . . . . 73.040000000000006 108.962 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 59' ' ' LEU . 46.0 m -70.58 179.58 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.977 0.418 . . . . 74.420000000000002 110.887 177.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -74.72 117.6 16.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.031 -0.531 . . . . 73.329999999999998 110.918 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -82.92 113.7 20.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.114 -0.493 . . . . 64.430000000000007 110.457 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 p -139.4 172.21 13.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.515 -0.766 . . . . 53.25 109.311 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -43.21 82.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 71.549999999999997 110.915 -178.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -106.48 46.45 0.92 Allowed 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.152 0.426 . . . . 73.549999999999997 112.152 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 m -84.78 95.51 8.99 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.187 -1.042 . . . . 52.329999999999998 108.187 165.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -2.88 55.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.149 0.5 . . . . 65.040000000000006 109.873 -177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.36 156.51 18.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.493 -0.776 . . . . 63.039999999999999 110.044 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.568 HD22 HD23 ' A' ' 27' ' ' LEU . 2.5 pt? -152.2 148.99 28.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 110.045 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.6 m -113.21 115.2 27.85 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.069 -0.514 . . . . 74.209999999999994 110.166 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.39 113.42 26.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 70.439999999999998 110.001 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.583 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 24.3 mtp180 -98.7 116.41 30.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.243 -0.435 . . . . 75.450000000000003 109.952 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -103.15 126.62 50.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.153 0.283 . . . . 53.009999999999998 110.333 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -119.9 115.12 23.16 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.449 -0.574 . . . . 51.409999999999997 109.449 173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' HD2' ' CB ' ' A' ' 42' ' ' CYS . 71.4 m-85 -86.32 -173.65 4.65 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.655 -0.702 . . . . 63.310000000000002 110.572 -175.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -81.22 -39.1 25.92 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 121.132 0.491 . . . . 65.019999999999996 110.036 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 28.3 m -135.07 161.65 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.7 -0.682 . . . . 61.409999999999997 110.453 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.7 m -65.65 -27.49 68.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.245 -0.434 . . . . 51.340000000000003 111.406 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.77 84.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.914 -0.585 . . . . 73.510000000000005 110.93 178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.439 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 66.0 mt-10 -67.29 -35.06 78.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.868 -0.606 . . . . 64.150000000000006 110.271 178.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.89 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.2 tmmm? -62.59 -51.26 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.502 -0.772 . . . . 53.210000000000001 109.665 177.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.8 mt -53.52 -47.07 70.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.063 -0.971 . . . . 74.329999999999998 111.468 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.8 mt -60.06 -44.13 94.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.724 0.297 . . . . 64.310000000000002 111.018 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.951 0.405 . . . . 74.230000000000004 110.549 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 6.9 mm-40 -61.42 -45.07 95.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.858 -0.61 . . . . 74.120000000000005 110.674 177.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.8 mt -61.73 -39.38 91.35 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.213 -0.449 . . . . 75.150000000000006 111.788 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.46 -39.18 67.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.439 -0.346 . . . . 74.150000000000006 111.305 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.443 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 12.6 p -72.45 -21.3 61.26 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.922 0.342 . . . . 75.219999999999999 111.922 -177.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 2.3 mmp_? -55.44 -50.59 69.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.839 0.352 . . . . 71.25 111.647 178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 m -87.25 -12.17 47.5 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.389 -0.369 . . . . 73.239999999999995 111.652 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 15.8 tp -81.42 -44.6 17.28 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-O 121.17 0.51 . . . . 55.509999999999998 109.731 177.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.72 60.59 1.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 74.219999999999999 109.424 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.424 ' HG2' ' HG ' ' A' ' 84' ' ' LEU . 59.8 ttt180 -128.54 155.53 44.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.337 -0.847 . . . . 64.099999999999994 110.147 -172.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HG ' ' HG2' ' A' ' 83' ' ' ARG . 66.6 mt 60.85 47.53 7.67 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.516 0.675 . . . . 74.430000000000007 110.958 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -72.48 161.96 30.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.997 -1.001 . . . . 64.0 111.607 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -152.47 87.42 1.31 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.433 -0.803 . . . . 60.310000000000002 109.689 172.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -82.93 70.77 10.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.552 -0.749 . . . . 73.540000000000006 110.327 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 46.7 m80 62.74 -178.55 0.14 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.467 -0.788 . . . . 75.040000000000006 110.844 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.6 m170 60.31 29.88 19.37 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.758 -0.656 . . . . 75.549999999999997 111.686 170.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -72.57 89.76 1.31 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.329 0.585 . . . . 75.230000000000004 109.758 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-N 115.106 -0.952 . . . . 74.030000000000001 110.726 -179.245 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.536 ' HA ' HG21 ' A' ' 60' ' ' THR . . . . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.883 0.373 . . . . 63.520000000000003 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.25 -100.32 0.17 Allowed Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 110.481 -1.048 . . . . 75.219999999999999 110.481 177.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.88 176.51 6.79 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.577 -0.527 . . . . 71.140000000000001 109.577 169.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.75 157.23 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.477 0.656 . . . . 74.319999999999993 110.184 -178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 157.96 35.25 0.02 OUTLIER Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 109.399 -1.481 . . . . 64.409999999999997 109.399 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.69 150.26 30.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.633 -0.784 . . . . 74.010000000000005 110.261 -172.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.24 -46.81 9.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 N-CA-C 107.612 -1.255 . . . . 71.200000000000003 107.612 169.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.2 mt -106.36 131.94 54.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 114.408 -1.269 . . . . 64.519999999999996 109.082 171.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -94.39 -177.49 4.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.38 -0.373 . . . . 72.349999999999994 110.494 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -59.09 163.49 3.61 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.329 0.585 . . . . 64.340000000000003 111.473 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.11 -177.03 47.79 Favored Glycine 0 N--CA 1.441 -0.987 0 N-CA-C 110.02 -1.232 . . . . 73.5 110.02 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -30.36 66.98 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 117.141 0.47 . . . . 73.140000000000001 111.654 -176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.77 -0.32 23.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.202 -0.454 . . . . 73.219999999999999 111.249 -177.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -103.92 121.53 55.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 121.003 -0.279 . . . . 62.539999999999999 110.998 -177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.742 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -115.05 111.97 21.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.621 176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 19.7 t70 -88.83 136.42 33.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 74.150000000000006 110.381 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 145.79 35.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 114.886 -1.052 . . . . 73.230000000000004 109.695 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.7 m -130.42 110.39 11.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.114 0.483 . . . . 72.439999999999998 110.314 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.477 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 17.2 mt -100.62 141.44 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.847 -0.615 . . . . 72.200000000000003 110.0 -177.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -142.55 151.94 42.09 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.375 -0.375 . . . . 54.130000000000003 110.493 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.03 -172.2 2.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.944 -0.571 . . . . 73.25 110.255 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -72.13 -35.83 69.22 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.133 0.419 . . . . 73.209999999999994 112.133 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -143.66 162.4 36.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.889 0.376 . . . . 74.219999999999999 111.744 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 52' ' ' LEU . 76.8 tttt -58.71 -36.67 74.63 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.463 -0.79 . . . . 75.409999999999997 110.552 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -51.12 -44.02 61.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.235 -0.893 . . . . 74.129999999999995 111.137 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.92 -44.19 73.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.946 -0.57 . . . . 73.25 110.462 178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD23 HD22 ' A' ' 59' ' ' LEU . 10.8 mp -53.78 -49.29 68.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.563 176.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.83 -36.16 71.89 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.339 -0.846 . . . . 73.439999999999998 111.504 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -76.7 -47.88 20.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 71.099999999999994 111.111 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 4.9 mm-40 -65.41 -39.69 92.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.218 -0.446 . . . . 65.400000000000006 111.268 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD13 HD11 ' A' ' 59' ' ' LEU . 29.6 tp -55.87 -44.38 78.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.157 0.504 . . . . 75.140000000000001 110.418 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.58 -37.27 70.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.24 -0.891 . . . . 70.430000000000007 111.118 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -66.79 -40.26 88.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.193 -0.458 . . . . 71.140000000000001 110.65 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -68.28 -40.55 81.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.064 -0.516 . . . . 75.209999999999994 111.183 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.1 mt -62.36 -38.27 80.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.249 0.547 . . . . 72.030000000000001 109.889 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.42 -43.74 96.62 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.538 -0.756 . . . . 72.25 111.364 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD11 HD22 ' A' ' 81' ' ' LEU . 75.4 mt -66.4 -34.17 77.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.437 . . . . 65.140000000000001 110.52 177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.51 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 73.140000000000001 110.442 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -68.88 -32.31 71.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.921 -0.581 . . . . 74.150000000000006 110.894 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.3 t -65.93 -33.07 74.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.957 -0.565 . . . . 72.019999999999996 110.212 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -88.37 -49.75 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.006 -0.543 . . . . 75.109999999999999 111.27 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 38.0 t -128.79 129.68 45.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.327 0.584 . . . . 65.530000000000001 110.838 -172.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.72 -31.1 46.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.5 -0.773 . . . . 60.310000000000002 110.591 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.15 39.55 2.87 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.85 -0.69 . . . . 44.340000000000003 112.112 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 7.2 p -75.32 138.85 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.06 0.457 . . . . 71.340000000000003 110.588 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -132.21 129.8 40.19 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.303 -0.629 . . . . 73.209999999999994 109.303 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -131.11 156.59 44.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 64.120000000000005 112.761 -170.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -115.7 167.32 11.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.701 -1.136 . . . . 74.349999999999994 108.667 171.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -160.75 148.15 5.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.189 -0.46 . . . . 74.450000000000003 109.995 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.8 m -70.22 173.21 6.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.851 0.358 . . . . 74.219999999999999 110.508 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -74.58 137.47 42.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.964 0.412 . . . . 73.230000000000004 110.695 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 96.3 mt -98.23 120.76 39.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 64.030000000000001 111.383 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -124.54 178.38 5.45 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.089 -0.708 . . . . 74.120000000000005 109.089 170.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.42 -11.91 59.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.062 0.458 . . . . 71.099999999999994 110.665 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -83.41 -14.03 53.54 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.748 -0.66 . . . . 63.240000000000002 110.498 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.1 m -72.44 122.35 21.1 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.947 -0.569 . . . . 64.140000000000001 111.048 -178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.592 ' HG2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -121.61 7.5 10.03 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.645 -1.243 . . . . 72.420000000000002 107.645 175.186 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.592 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -156.79 140.59 16.1 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 113.639 -1.619 . . . . 65.209999999999994 109.245 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.477 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -143.97 153.28 42.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.959 0.409 . . . . 72.0 110.3 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.589 HG22 HH21 ' A' ' 62' ' ' ARG . 4.3 m -120.08 127.58 52.69 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.925 -0.58 . . . . 72.109999999999999 110.351 -178.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -138.68 137.27 36.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 64.340000000000003 110.376 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.589 HH21 HG22 ' A' ' 60' ' ' THR . 0.0 OUTLIER -117.77 130.09 56.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.789 0.328 . . . . 65.420000000000002 110.657 -178.04 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -103.12 117.35 34.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.008 -0.542 . . . . 73.129999999999995 110.269 -179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.55 115.66 28.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 75.010000000000005 109.844 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -96.55 -164.67 1.18 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.677 -0.692 . . . . 72.129999999999995 109.43 177.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -95.76 -45.32 7.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.843 0.354 . . . . 72.540000000000006 110.984 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.4 m -124.15 164.29 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.583 -0.28 . . . . 74.430000000000007 111.624 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.3 m -65.53 -29.63 70.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.101 -0.5 . . . . 55.450000000000003 111.456 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.74 -35.04 78.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.602 -0.726 . . . . 75.140000000000001 111.524 -178.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -67.36 -32.0 72.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 74.099999999999994 110.82 -178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.742 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 38.2 ttmt -58.4 -56.98 15.17 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.861 0.839 . . . . 62.5 109.51 172.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -52.29 -50.94 61.17 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 113.625 -1.625 . . . . 70.510000000000005 111.647 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 69' ' ' ALA . 76.8 mt -57.88 -45.1 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.783 0.325 . . . . 74.120000000000005 111.131 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.52 -49.7 72.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.289 -0.414 . . . . 62.329999999999998 110.737 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 7.4 mm-40 -67.32 -28.35 67.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.032 -0.531 . . . . 62.100000000000001 112.239 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 76' ' ' LEU . 19.2 mt -65.25 -37.37 87.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.137 0.494 . . . . 63.130000000000003 110.179 174.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.52 -35.5 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.772 -0.649 . . . . 72.030000000000001 111.382 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.0 p -67.93 -29.56 68.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.895 0.379 . . . . 65.140000000000001 110.499 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 9.1 mmm180 -61.09 -47.34 86.76 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.28 -0.418 . . . . 73.409999999999997 111.328 177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -81.26 -15.41 55.63 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 112.201 0.445 . . . . 75.420000000000002 112.201 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.437 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp -91.35 -40.56 11.4 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.003 0.43 . . . . 64.409999999999997 110.638 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.9 39.31 1.34 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.11 0.481 . . . . 72.109999999999999 111.046 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -151.34 129.31 11.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.63 . . . . 72.049999999999997 109.579 176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 80.9 mt 54.5 49.54 18.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.5 0.667 . . . . 72.010000000000005 110.659 -175.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 88' ' ' HIS . 2.6 mp0 -64.82 175.05 1.6 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.89 -1.05 . . . . 74.140000000000001 110.152 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -58.75 -75.61 0.05 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 75.109999999999999 111.096 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -138.76 75.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.679 0.752 . . . . 72.120000000000005 111.227 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -100.3 19.03 17.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.669 -1.151 . . . . 75.409999999999997 108.679 175.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.16 95.15 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 114.735 -1.12 . . . . 54.140000000000001 113.632 -172.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.511 ' HB3' ' HD2' ' A' ' 91' ' ' HIS . 1.6 m-70 160.07 -64.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.28 1.432 . . . . 72.200000000000003 108.338 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.511 ' HD2' ' HB3' ' A' ' 90' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.241 0.646 0 CA-C-N 115.526 -0.761 . . . . 75.0 109.678 175.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 74.319999999999993 110.401 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.472 ' HA2' ' HB2' ' A' ' 9' ' ' LYS . . . -101.07 -171.68 28.64 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.725 -0.75 . . . . 72.239999999999995 113.007 -177.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -147.92 143.99 27.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.111 -0.7 . . . . 64.310000000000002 109.111 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.6 pp -99.22 159.8 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.043 0.449 . . . . 73.420000000000002 111.833 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.97 -36.26 3.18 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.7 -0.682 . . . . 71.430000000000007 111.43 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 73.7 m-85 -110.53 157.95 19.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.321 -0.439 . . . . 72.549999999999997 110.088 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.1 mt -82.32 -56.17 6.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.595 -0.521 . . . . 74.439999999999998 109.595 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.581 HG21 ' HB2' ' A' ' 64' ' ' LYS . 67.2 mt -69.73 121.6 19.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.403 -0.817 . . . . 74.409999999999997 110.736 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' HB2' ' HA2' ' A' ' 2' ' ' GLY . 60.6 pttt -94.86 -173.83 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.639 -0.709 . . . . 61.009999999999998 110.509 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -70.1 164.34 24.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.357 0.599 . . . . 75.219999999999999 112.61 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.26 173.19 39.42 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 110.208 -1.157 . . . . 60.310000000000002 110.208 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -80.94 -18.91 45.48 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 117.396 0.598 . . . . 74.530000000000001 110.707 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -101.51 8.18 42.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.903 -0.589 . . . . 71.519999999999996 110.567 175.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.5 t -109.65 120.79 61.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 74.329999999999998 110.774 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.55 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -125.84 120.55 30.79 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 61.439999999999998 110.191 177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.915 ' HB3' ' HG3' ' A' ' 62' ' ' ARG . 9.3 p-10 -99.58 143.17 30.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.328 0.585 . . . . 73.439999999999998 110.868 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.3 t -127.12 130.64 71.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.303 -0.862 . . . . 61.340000000000003 109.737 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 58.5 m -113.18 116.12 29.32 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.545 -0.752 . . . . 72.150000000000006 109.678 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.446 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.7 mt -98.09 140.78 17.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.253 -0.431 . . . . 74.25 109.878 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.677 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 23.8 m-85 -123.08 133.6 54.3 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.927 -0.579 . . . . 74.420000000000002 109.457 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.586 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -159.84 -176.81 5.92 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.723 0.297 . . . . 72.120000000000005 111.02 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -90.38 -25.55 20.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 64.549999999999997 110.989 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.2 p -130.5 154.27 47.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.095 -0.502 . . . . 72.329999999999998 111.092 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HD2' ' HB3' ' A' ' 52' ' ' LEU . 31.8 ttpt -65.18 -36.31 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.448 -0.575 . . . . 73.420000000000002 109.448 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -56.46 -44.68 80.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.336 -0.847 . . . . 63.329999999999998 110.658 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.77 92.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.377 -0.374 . . . . 64.019999999999996 110.639 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.669 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.3 mp -57.58 -53.14 61.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.085 -0.507 . . . . 54.32 110.393 174.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' OE1' ' HE3' ' A' ' 24' ' ' LYS . 47.4 mt-10 -61.4 -39.26 90.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.652 -0.703 . . . . 74.209999999999994 111.403 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.554 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 21.2 m -67.09 -51.2 57.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.401 -0.363 . . . . 71.450000000000003 111.089 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -60.77 -40.91 94.28 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.984 0.421 . . . . 74.129999999999995 110.762 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 35' ' ' ILE . 22.5 tp -55.36 -49.02 73.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.647 -0.706 . . . . 72.109999999999999 110.427 178.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.95 -31.07 66.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.617 -0.719 . . . . 65.340000000000003 111.801 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 29' ' ' SER . 68.0 mmtt -70.28 -40.11 74.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.116 0.484 . . . . 71.019999999999996 110.012 178.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -74.97 -32.49 61.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.698 -0.683 . . . . 74.319999999999993 110.574 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 31' ' ' LEU . 77.0 mt -62.71 -39.2 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 73.219999999999999 110.042 174.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.53 -46.14 91.19 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 116.253 -0.43 . . . . 75.409999999999997 110.132 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 81' ' ' LEU . 60.3 mt -55.16 -43.04 73.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 71.400000000000006 110.784 175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.16 75.97 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.047 -0.524 . . . . 51.310000000000002 110.701 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -71.85 -23.51 61.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.068 -0.515 . . . . 75.230000000000004 111.339 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 t -76.17 -28.93 57.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.552 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.22 -38.28 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.526 -0.306 . . . . 65.549999999999997 111.467 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.679 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 1.8 p -145.52 145.76 31.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.176 0.512 . . . . 65.530000000000001 111.245 -173.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.15 14.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.513 -0.767 . . . . 73.019999999999996 110.76 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.16 29.11 5.73 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 121.103 -0.57 . . . . 70.109999999999999 112.842 -177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.679 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.2 p -91.81 132.38 36.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.971 0.415 . . . . 54.329999999999998 110.946 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.83 147.21 44.17 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.591 -0.892 . . . . 52.409999999999997 108.591 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' C ' HD22 ' A' ' 48' ' ' ASN . 12.6 p90 -137.15 141.75 42.23 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.706 0.765 . . . . 73.010000000000005 112.418 -174.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 1.0 OUTLIER -111.63 169.73 8.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.848 -1.069 . . . . 71.310000000000002 109.662 175.399 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.25 151.35 12.07 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.957 -0.565 . . . . 73.109999999999999 110.258 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.0 m -69.66 177.94 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 65.310000000000002 110.577 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.406 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -82.86 134.23 35.1 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.851 0.358 . . . . 73.129999999999995 110.274 179.24 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' HB3' ' HD2' ' A' ' 24' ' ' LYS . 6.5 mp -90.02 124.4 34.73 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.450000000000003 110.189 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.2 p -125.84 -168.41 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 73.450000000000003 110.522 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.42 -41.2 80.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.06 0.457 . . . . 63.210000000000001 110.677 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -112.49 19.75 17.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.537 -0.756 . . . . 74.230000000000004 112.091 -170.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 p -68.81 101.29 1.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.263 0.554 . . . . 43.020000000000003 111.229 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.579 ' HD2' ' HG3' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -104.79 6.43 33.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.446 -0.797 . . . . 72.540000000000006 109.897 175.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.677 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 47.6 mt-10 -142.56 140.39 31.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.077 -0.965 . . . . 64.319999999999993 109.666 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.669 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.9 pt? -148.02 145.66 28.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.954 0.407 . . . . 72.450000000000003 109.967 172.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 55.1 m -111.0 113.08 25.37 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.77 -0.65 . . . . 55.509999999999998 110.494 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -102.12 115.61 30.92 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.973 -0.558 . . . . 75.510000000000005 109.587 177.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.915 ' HG3' ' HB3' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -100.78 115.53 30.54 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.934 -0.395 . . . . 74.319999999999993 109.934 -176.492 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.402 ' CD1' ' HB3' ' A' ' 47' ' ' TYR . 95.3 m-85 -100.87 118.15 36.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.012 -0.54 . . . . 73.140000000000001 110.477 -176.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.581 ' HB2' HG21 ' A' ' 8' ' ' ILE . 13.7 tmtt? -101.7 107.66 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.312 -0.625 . . . . 73.219999999999999 109.312 175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.466 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 78.3 m-85 -82.87 -172.93 4.39 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.538 -0.755 . . . . 75.420000000000002 110.011 -178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -101.75 -42.95 5.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-O 120.785 0.326 . . . . 64.120000000000005 110.307 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.7 m -124.62 163.17 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.362 -0.381 . . . . 53.420000000000002 110.501 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 p -66.93 -26.54 66.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 60.530000000000001 111.815 -176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -50.9 72.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.092 -0.503 . . . . 74.129999999999995 110.721 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -58.14 -41.51 83.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.318 0.58 . . . . 71.420000000000002 110.316 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' ' 15' ' ' ALA . 13.0 tmtt? -58.42 -55.9 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.813 -1.085 . . . . 71.230000000000004 110.616 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.18 -42.75 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.286 -0.87 . . . . 75.340000000000003 111.591 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' A' ' 76' ' ' LEU . 76.5 mt -61.26 -39.06 81.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 73.420000000000002 110.975 -179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.42 -42.45 98.76 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.116 0.484 . . . . 70.010000000000005 110.272 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 35.4 mt-10 -68.69 -31.28 70.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.854 -0.612 . . . . 65.519999999999996 111.423 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 73' ' ' ILE . 90.2 mt -69.03 -48.84 61.91 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 120.924 0.392 . . . . 70.129999999999995 110.744 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 81' ' ' LEU . 68.3 mttm -61.5 -47.45 85.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.904 -0.589 . . . . 71.409999999999997 111.397 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.561 -0.29 . . . . 64.450000000000003 111.771 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 21.1 mtm180 -66.23 -43.98 85.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.691 0.256 . . . . 75.420000000000002 111.691 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.1 t -88.94 -34.48 16.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.599 0.238 . . . . 45.210000000000001 111.517 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.52 ' CD2' HD11 ' A' ' 37' ' ' LEU . 2.6 tp -72.98 -42.07 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.083 0.468 . . . . 63.32 110.424 -179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.67 85.95 2.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.969 -0.559 . . . . 62.340000000000003 109.501 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -72.61 110.06 6.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.525 -0.761 . . . . 72.120000000000005 109.54 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 88.8 mt -86.65 69.82 10.37 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.645 -1.161 . . . . 73.319999999999993 109.759 -174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 62.78 -128.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.332 -1.304 . . . . 75.099999999999994 110.156 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -142.66 86.65 1.95 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.527 0.68 . . . . 65.109999999999999 111.254 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -87.36 112.7 22.38 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.874 . . . . 71.239999999999995 108.639 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -75.27 93.97 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.924 0.869 . . . . 74.349999999999994 111.574 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -76.49 108.06 9.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.691 -1.141 . . . . 70.019999999999996 108.589 172.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -83.81 159.35 21.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 75.030000000000001 110.361 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.7 m80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.121 -0.942 . . . . 74.230000000000004 109.13 178.206 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.883 0.373 . . . . 74.230000000000004 110.262 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.739 ' HA3' ' HB3' ' A' ' 16' ' ' ASP . . . -91.95 -134.92 6.61 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.823 -0.704 . . . . 71.310000000000002 112.333 -176.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -110.58 138.44 46.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.099 0.476 . . . . 73.430000000000007 111.08 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.8 pt -97.69 165.76 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.831 0 CA-C-N 115.744 -0.662 . . . . 65.340000000000003 110.938 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.07 26.35 8.42 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.587 -0.816 . . . . 74.099999999999994 111.725 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -120.54 -172.36 2.36 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.666 -0.494 . . . . 73.310000000000002 109.666 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.613 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.4 mt -57.09 -56.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.94 0.4 . . . . 72.140000000000001 110.762 178.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 83.5 mt -93.92 137.07 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.338 -0.392 . . . . 73.109999999999999 109.955 175.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -87.53 -175.76 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 110.904 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.72 171.42 15.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.611 0.719 . . . . 73.120000000000005 112.097 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.02 167.91 20.36 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 110.237 -1.145 . . . . 63.420000000000002 110.237 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 68' ' ' SER . 34.7 t70 -75.14 -19.19 60.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.867 0.833 . . . . 74.230000000000004 110.302 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -87.42 -7.03 58.17 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.815 -0.63 . . . . 74.409999999999997 110.087 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.21 121.01 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.909 -0.587 . . . . 74.340000000000003 110.669 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.47 104.34 13.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.35 -0.386 . . . . 72.209999999999994 110.112 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.739 ' HB3' ' HA3' ' A' ' 2' ' ' GLY . 28.1 t70 -88.97 130.81 35.39 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.312 0.577 . . . . 40.039999999999999 109.75 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -136.1 139.61 45.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 114.995 -1.002 . . . . 61.439999999999998 110.534 -173.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -112.97 112.29 23.64 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.883 -0.599 . . . . 54.420000000000002 109.925 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' HB ' HD21 ' A' ' 59' ' ' LEU . 34.3 mt -98.17 145.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.412 -0.588 . . . . 61.030000000000001 109.412 -179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -139.38 151.84 46.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.849 0.357 . . . . 60.140000000000001 111.215 -177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.659 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -172.69 172.49 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.778 -0.823 . . . . 75.549999999999997 108.778 177.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -80.2 -25.23 39.76 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.572 0.582 . . . . 74.530000000000001 112.572 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.7 p -126.76 147.85 49.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 65.120000000000005 111.84 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 53' ' ' THR . 59.5 tttm -56.09 -42.08 76.19 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.611 -0.722 . . . . 63.219999999999999 110.364 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.95 -44.63 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.395 -0.82 . . . . 70.25 111.207 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.34 -40.84 96.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.139 -0.482 . . . . 72.099999999999994 110.736 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.659 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.2 mp -54.94 -54.15 46.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.214 0.531 . . . . 63.409999999999997 110.218 174.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.88 -41.95 98.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.237 -0.892 . . . . 75.099999999999994 111.714 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.3 m -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 62.210000000000001 111.497 -178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.468 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 34.1 tt0 -73.8 -42.71 60.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.899 0.38 . . . . 64.450000000000003 110.026 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 35' ' ' ILE . 26.2 tp -53.09 -46.07 68.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.63 -0.714 . . . . 70.239999999999995 110.667 177.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.18 65.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 41.229999999999997 111.59 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.6 mmtt -74.93 -35.55 62.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.699 0.285 . . . . 63.439999999999998 111.124 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 8.3 m-85 -67.29 -38.58 85.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.884 -0.413 . . . . 70.329999999999998 109.884 173.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 31' ' ' LEU . 76.1 mt -65.74 -38.68 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.24 -0.437 . . . . 65.329999999999998 110.186 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.4 -48.41 81.85 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.012 -0.54 . . . . 73.530000000000001 110.136 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.497 HD22 ' HD3' ' A' ' 77' ' ' LYS . 77.7 mt -63.79 -33.42 75.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.624 -0.717 . . . . 74.409999999999997 110.587 176.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 45' ' ' VAL . . . -65.1 -46.25 81.83 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.1 -0.5 . . . . 55.329999999999998 110.859 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.8 -30.84 71.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.736 0.303 . . . . 70.340000000000003 111.129 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.9 t -72.43 -27.58 62.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.112 0.482 . . . . 54.439999999999998 110.286 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.4 t -94.77 -43.44 13.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.213 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 37.4 t -139.94 122.1 15.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.989 0.423 . . . . 50.009999999999998 110.641 -173.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.51 -14.56 58.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.163 -0.471 . . . . 64.409999999999997 110.817 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.63 49.82 0.9 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.789 -0.719 . . . . 64.310000000000002 112.078 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 38' ' ' ALA . 6.6 p -90.55 118.73 36.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.3 0.571 . . . . 73.230000000000004 111.123 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -88.51 133.18 34.22 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.517 -0.549 . . . . 74.219999999999999 109.517 176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.539 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 24.9 p90 -143.47 140.03 30.16 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.515 0.674 . . . . 52.5 112.286 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 12.1 m120 -110.43 167.36 10.26 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.996 -1.113 . . . . 74.219999999999999 107.996 173.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -153.25 159.49 3.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 109.902 -0.407 . . . . 63.219999999999999 109.902 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 m -67.7 170.6 7.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.858 -0.423 . . . . 72.140000000000001 109.858 174.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.04 133.22 34.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.059 0.457 . . . . 73.140000000000001 109.933 177.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 99.4 mt -89.9 138.2 31.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.111 -0.495 . . . . 72.010000000000005 110.666 -177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 23.1 p -129.1 178.93 6.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.837 -0.62 . . . . 74.109999999999999 109.513 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -55.83 -41.73 74.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.721 0.296 . . . . 54.420000000000002 111.757 -177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -122.25 36.39 4.64 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.106 0.41 . . . . 61.340000000000003 112.106 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 p -69.28 112.45 5.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 119.897 -0.721 . . . . 54.350000000000001 109.25 170.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -94.94 3.98 54.33 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.914 -0.585 . . . . 64.530000000000001 110.438 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -146.39 148.47 32.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 60.439999999999998 110.725 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.577 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.2 pt? -151.35 132.32 14.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.384 0.611 . . . . 74.409999999999997 109.728 170.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.427 HG22 HH21 ' A' ' 62' ' ' ARG . 18.4 m -107.08 115.48 30.26 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.363 -0.835 . . . . 74.540000000000006 109.905 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -120.96 129.24 53.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.863 -0.608 . . . . 73.310000000000002 110.555 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.624 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -107.33 117.29 33.69 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.027 0.442 . . . . 74.109999999999999 110.826 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -95.07 106.94 18.98 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.585 -0.734 . . . . 64.409999999999997 110.341 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 65' ' ' PHE . 10.7 tmtt? -93.6 119.7 32.96 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.576 -0.527 . . . . 73.209999999999994 109.576 176.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.474 ' O ' ' HE2' ' A' ' 64' ' ' LYS . 86.3 m-85 -99.15 173.68 6.69 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.842 -0.617 . . . . 72.140000000000001 110.282 -178.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -81.17 -36.66 29.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.934 0.397 . . . . 72.549999999999997 110.459 -177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 35.6 m -129.17 155.76 41.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.096 -0.502 . . . . 61.310000000000002 110.042 176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.424 ' HB3' ' OD2' ' A' ' 12' ' ' ASP . 1.4 m -65.51 -20.88 66.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 53.130000000000003 111.044 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.06 -41.95 85.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.765 -0.652 . . . . 74.140000000000001 111.161 177.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 86.0 mt-10 -62.13 -33.68 74.94 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 121.022 0.439 . . . . 63.039999999999999 110.277 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -58.83 -54.24 49.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.591 -0.731 . . . . 75.239999999999995 110.19 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 95.3 mt -57.27 -45.27 84.19 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.988 -1.005 . . . . 72.549999999999997 111.362 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.9 mt -60.03 -38.57 77.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.83 0.347 . . . . 73.420000000000002 110.891 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -65.32 -46.81 78.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.374 -0.375 . . . . 73.420000000000002 110.261 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.93 -30.96 71.25 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.028 -0.533 . . . . 62.539999999999999 111.072 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 63.7 mt -66.64 -41.63 87.96 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 121.021 0.439 . . . . 74.439999999999998 110.764 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.497 ' HD3' HD22 ' A' ' 37' ' ' LEU . 53.9 mttp -71.41 -40.5 70.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 62.100000000000001 111.217 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.9 p -63.68 -35.51 80.79 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.098 -0.241 . . . . 72.299999999999997 110.966 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -57.36 -44.54 84.45 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.859 0.361 . . . . 72.030000000000001 111.765 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.0 m -80.35 -34.75 36.28 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 112.629 0.603 . . . . 22.25 112.629 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 tp -80.05 -39.6 29.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.328 0.585 . . . . 32.039999999999999 110.338 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.95 85.88 2.18 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.787 -0.642 . . . . 72.430000000000007 110.221 -175.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -56.94 118.42 4.94 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.23 -0.895 . . . . 74.450000000000003 110.646 176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.56 21.26 2.2 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.672 0.749 . . . . 71.329999999999998 110.385 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -94.8 154.52 17.23 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.636 -1.166 . . . . 71.030000000000001 109.915 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -120.74 -9.57 9.31 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.306 -0.998 . . . . 71.420000000000002 108.306 168.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -92.91 175.9 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.586 -1.188 . . . . 64.439999999999998 109.855 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -83.44 -26.72 30.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.499 -0.319 . . . . 72.540000000000006 111.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.7 t60 71.8 138.09 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.7 0.625 . . . . 70.420000000000002 111.094 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -135.41 169.98 16.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.284 -0.416 . . . . 73.420000000000002 109.889 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.639 -0.696 . . . . 74.230000000000004 109.907 177.251 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 120.802 0.334 . . . . 74.129999999999995 110.587 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.0 166.36 16.46 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 121.191 -0.528 . . . . 41.450000000000003 112.008 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -95.78 161.73 13.9 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.5 -0.555 . . . . 73.530000000000001 109.5 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.0 164.11 3.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 72.420000000000002 109.671 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -79.03 -57.62 3.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.751 . . . . 64.219999999999999 112.735 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 53.43 -171.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.669 0.787 . . . . 72.420000000000002 112.989 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.432 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 58.6 mt -79.07 -59.6 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.461 -0.79 . . . . 75.209999999999994 110.727 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.569 HD13 ' HB2' ' A' ' 64' ' ' LYS . 81.9 mt -89.58 131.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.371 -0.377 . . . . 64.230000000000004 110.365 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -84.56 166.75 16.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.844 -0.617 . . . . 74.150000000000006 111.3 -174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.24 172.72 8.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.947 -0.569 . . . . 75.430000000000007 111.933 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.6 -145.64 9.18 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.697 -0.683 . . . . 63.530000000000001 111.503 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -118.34 -8.62 10.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.358 0.599 . . . . 72.430000000000007 110.007 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.6 -0.98 23.38 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.275 -0.875 . . . . 73.530000000000001 109.26 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.1 t -115.56 135.46 55.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.575 -0.739 . . . . 63.43 110.24 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.658 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -134.22 134.64 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.758 -0.46 . . . . 72.439999999999998 109.758 177.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -106.69 141.54 37.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.98 0.419 . . . . 71.400000000000006 110.687 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 t -135.53 125.41 42.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.694 -0.685 . . . . 71.329999999999998 110.045 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.8 m -108.93 110.87 22.29 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.413 -0.812 . . . . 52.530000000000001 109.59 177.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 20.3 mt -99.16 142.77 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.091 -0.504 . . . . 65.129999999999995 110.718 -173.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -123.85 138.95 54.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.532 -0.758 . . . . 75.299999999999997 109.011 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.4 173.1 11.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 120.862 0.363 . . . . 62.32 111.138 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.76 -42.21 67.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.771 -0.649 . . . . 72.019999999999996 110.541 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 p -131.8 165.61 23.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.098 -0.501 . . . . 61.420000000000002 110.936 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.69 -45.36 85.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.61 -0.723 . . . . 71.239999999999995 110.789 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -65.55 -39.56 91.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.773 -0.649 . . . . 71.140000000000001 110.951 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.32 -37.67 88.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 63.310000000000002 110.448 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 ' HG ' HD22 ' A' ' 59' ' ' LEU . 9.9 tp -57.59 -50.0 74.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.621 -0.718 . . . . 64.140000000000001 109.67 176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -58.87 -40.66 85.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.834 -1.075 . . . . 73.0 111.454 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.8 m -63.13 -47.62 81.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 71.230000000000004 111.17 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -35.4 74.43 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.357 -0.383 . . . . 74.409999999999997 110.782 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -55.96 -50.53 70.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.103 0.478 . . . . 74.230000000000004 110.343 175.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.22 63.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.138 -0.937 . . . . 71.450000000000003 111.531 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -68.14 -41.84 81.04 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.64 0.257 . . . . 72.150000000000006 110.628 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -68.63 -38.78 80.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.056 -0.52 . . . . 71.329999999999998 110.77 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.22 -43.37 96.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.162 0.506 . . . . 75.540000000000006 110.244 176.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.98 -43.94 98.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.657 -0.701 . . . . 73.109999999999999 110.881 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.27 -38.17 85.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.766 -0.652 . . . . 75.219999999999999 110.25 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.71 65.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 73.340000000000003 111.198 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 mttm -69.92 -22.54 63.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.337 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t -73.58 -24.43 60.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.135 -0.484 . . . . 44.229999999999997 109.842 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.2 t -95.07 -47.12 13.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.303 -0.408 . . . . 31.550000000000001 110.941 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.646 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 6.3 p -134.47 134.1 41.14 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-O 121.076 0.465 . . . . 73.340000000000003 110.988 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.63 -24.4 21.67 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.673 -0.694 . . . . 73.329999999999998 110.283 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 50.02 1.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.949 -0.569 . . . . 70.310000000000002 111.871 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.646 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 12.5 p -104.66 132.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.929 0.395 . . . . 65.219999999999999 111.445 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -104.65 134.14 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.884 -0.784 . . . . 74.450000000000003 108.884 171.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.543 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 20.6 p90 -130.67 138.72 50.19 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.514 0.673 . . . . 64.430000000000007 112.141 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.432 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 8.3 m120 -107.93 154.77 21.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.077 -0.965 . . . . 74.540000000000006 108.879 174.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 59.4 t -143.95 136.91 23.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 108.512 -0.921 . . . . 62.299999999999997 108.512 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 p -66.18 176.27 1.81 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.055 0.455 . . . . 61.420000000000002 111.021 177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -79.65 139.47 37.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.936 -0.575 . . . . 62.329999999999998 110.253 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.0 mt -97.43 145.02 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.133 -0.485 . . . . 73.310000000000002 110.027 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 29.3 p -130.42 -169.02 2.06 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 110.072 -0.344 . . . . 73.109999999999999 110.072 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -65.41 -38.44 89.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.993 0.425 . . . . 55.299999999999997 111.225 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -121.52 29.61 7.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.477 -0.329 . . . . 65.519999999999996 111.813 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' O ' HD22 ' A' ' 27' ' ' LEU . 1.7 p -65.97 98.29 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.208 0.528 . . . . 74.420000000000002 110.664 177.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -97.21 5.01 50.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.216 -0.902 . . . . 74.040000000000006 109.854 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -146.4 150.26 35.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.798 -0.637 . . . . 64.439999999999998 110.201 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD22 ' HG ' ' A' ' 27' ' ' LEU . 1.8 pt? -155.45 154.24 31.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.438 -0.579 . . . . 75.200000000000003 109.438 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.9 m -115.79 117.12 29.33 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.322 -0.399 . . . . 74.109999999999999 110.335 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.01 121.08 43.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.837 -0.619 . . . . 70.530000000000001 110.591 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 8.3 tpp85 -100.47 115.38 29.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.849 -0.614 . . . . 70.439999999999998 109.796 -178.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -105.69 119.0 38.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.136 0.493 . . . . 61.140000000000001 111.44 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -102.14 103.48 14.03 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.761 -0.829 . . . . 74.239999999999995 108.761 176.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -84.82 160.25 20.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.637 -0.505 . . . . 74.450000000000003 109.637 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.74 -55.29 10.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.477 -0.329 . . . . 53.310000000000002 110.266 -175.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 m -118.27 161.09 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.304 . . . . 52.329999999999998 110.88 174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 10.0 m -62.18 -29.68 70.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 71.340000000000003 111.651 -176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -62.19 -43.06 99.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 54.409999999999997 111.223 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.63 -33.52 76.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 70.319999999999993 110.586 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.658 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.2 OUTLIER -60.98 -52.82 63.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.511 -0.768 . . . . 74.430000000000007 109.624 176.579 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.0 mt -58.05 -38.83 77.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.642 -1.163 . . . . 71.329999999999998 111.605 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 69' ' ' ALA . 82.9 mt -60.89 -46.74 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.774 0.321 . . . . 73.319999999999993 110.986 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -58.8 -41.2 86.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 110.33 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.736 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 51.8 mt-10 -67.04 -42.8 84.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.811 -0.631 . . . . 71.140000000000001 110.83 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.7 mt -58.42 -40.3 82.11 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 120.956 0.408 . . . . 61.399999999999999 110.943 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 50.5 mtpt -71.92 -36.49 69.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.94 -0.573 . . . . 74.239999999999995 111.317 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.497 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 4.6 p -75.97 -20.57 57.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.902 0.334 . . . . 64.340000000000003 111.902 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 7.4 mmp_? -57.28 -54.63 44.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.052 0.453 . . . . 70.219999999999999 110.528 176.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -74.62 -15.33 60.83 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.693 -0.685 . . . . 33.240000000000002 111.505 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 13.7 tp -79.89 -42.15 24.75 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 121.047 0.451 . . . . 74.349999999999994 110.663 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 11.82 9.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 75.030000000000001 111.845 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -68.99 -38.52 79.37 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.079 -0.509 . . . . 72.319999999999993 110.872 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -74.52 -30.83 61.95 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.395 0.616 . . . . 74.540000000000006 111.038 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.55 -48.79 63.36 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.646 -1.161 . . . . 61.240000000000002 110.195 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -82.36 43.14 0.79 Allowed 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.008 -0.997 . . . . 74.109999999999999 110.531 178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -153.77 -50.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.574 -1.194 . . . . 72.150000000000006 108.574 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 68.7 -71.25 0.12 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.694 -1.139 . . . . 74.140000000000001 110.847 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -71.78 119.09 15.45 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.833 -0.803 . . . . 71.400000000000006 108.833 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -148.85 168.09 23.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.778 0.323 . . . . 65.530000000000001 111.212 -171.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.543 -0.741 . . . . 71.430000000000007 110.247 175.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.628 0.251 . . . . 72.319999999999993 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -129.34 -76.29 0.18 Allowed Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.275 -0.73 . . . . 60.210000000000001 111.275 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -92.93 140.71 29.2 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.244 -0.65 . . . . 72.109999999999999 109.244 172.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.12 154.25 3.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.961 0.41 . . . . 74.519999999999996 110.281 -176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -121.89 75.5 0.35 Allowed Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.792 -0.64 . . . . 71.409999999999997 111.996 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 97.1 m-85 -71.0 -175.51 1.16 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.416 -0.392 . . . . 75.310000000000002 110.815 178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 53.1 mt -56.0 -54.1 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.881 -0.6 . . . . 64.549999999999997 110.282 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 64' ' ' LYS . 91.5 mt -80.09 134.17 28.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.644 -0.707 . . . . 71.340000000000003 110.037 175.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 45.1 mtmt -82.29 173.77 11.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.85 -0.614 . . . . 61.439999999999998 111.061 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.26 168.81 9.8 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.942 -0.572 . . . . 55.219999999999999 110.412 172.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.05 171.35 31.18 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.59 -0.814 . . . . 34.219999999999999 112.611 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.11 -35.65 80.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.536 0.684 . . . . 71.129999999999995 110.918 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.64 13.29 28.79 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.082 -0.963 . . . . 72.439999999999998 110.981 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -118.95 133.88 64.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 51.5 110.8 -175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -143.36 113.69 7.37 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.381 -0.372 . . . . 40.409999999999997 110.151 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.595 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 3.4 p30 -98.05 133.9 41.89 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.532 0.682 . . . . 71.349999999999994 110.742 176.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.46 135.53 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.056 -0.975 . . . . 54.25 109.731 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 60' ' ' THR . 73.8 m -102.44 126.78 49.58 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.704 -0.68 . . . . 61.310000000000002 110.113 -178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.622 ' HA ' ' CE1' ' A' ' 87' ' ' HIS . 57.3 mt -98.82 142.8 14.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 CA-C-N 115.28 -0.873 . . . . 74.120000000000005 110.052 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -130.13 134.52 47.38 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.934 -0.575 . . . . 73.25 109.936 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -161.81 -175.35 4.64 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.609 -0.723 . . . . 60.109999999999999 109.972 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -85.96 -34.21 20.92 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 111.779 0.289 . . . . 60.420000000000002 111.779 -175.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.7 p -134.92 162.22 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.831 0.308 . . . . 75.420000000000002 111.831 -173.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.722 ' HG3' ' HB3' ' A' ' 52' ' ' LEU . 79.1 tttt -54.61 -43.67 72.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.701 -0.681 . . . . 61.020000000000003 110.292 172.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -53.46 -49.23 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.903 -1.044 . . . . 75.420000000000002 111.196 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.45 -42.02 98.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.114 -0.494 . . . . 42.439999999999998 110.603 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.1 mp -55.2 -51.08 67.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.016 -0.538 . . . . 73.310000000000002 110.682 175.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -59.92 -38.98 83.91 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.945 -0.57 . . . . 54.520000000000003 111.333 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 m -63.9 -46.33 85.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.078 0.466 . . . . 54.210000000000001 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.57 -36.8 73.8 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 115.968 -0.56 . . . . 64.329999999999998 111.342 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.74 -46.72 86.76 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.968 -0.56 . . . . 74.019999999999996 110.026 178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.74 69.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.269 -0.878 . . . . 53.109999999999999 111.383 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -65.01 -45.94 83.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 120.811 0.338 . . . . 72.120000000000005 111.076 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -64.32 -43.71 93.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.899 -0.591 . . . . 74.239999999999995 111.371 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.2 mt -62.74 -41.53 92.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.789 0.328 . . . . 75.430000000000007 110.325 177.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.7 -46.14 89.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.056 -0.52 . . . . 75.209999999999994 110.384 177.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -58.97 -37.83 77.71 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.737 -0.665 . . . . 72.439999999999998 110.707 177.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.43 -46.11 64.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.946 -0.57 . . . . 43.25 110.621 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 98.6 mttt -67.47 -25.96 66.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.04 -0.527 . . . . 74.230000000000004 111.117 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.2 t -70.55 -24.94 62.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 72.230000000000004 110.52 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.7 t -94.25 -39.44 10.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.023 0.439 . . . . 73.230000000000004 110.414 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 3.5 p -145.96 129.17 16.68 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.123 -0.49 . . . . 72.450000000000003 110.998 -176.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.1 -15.17 36.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.014 0.435 . . . . 42.240000000000002 110.585 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.35 34.72 5.56 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.942 -0.646 . . . . 62.409999999999997 111.984 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -85.01 135.16 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.066 0.46 . . . . 61.020000000000003 111.083 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -104.55 124.77 49.89 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.904 -0.776 . . . . 74.25 108.904 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -136.87 147.01 46.23 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.295 0.569 . . . . 63.0 111.832 -175.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -121.36 155.73 34.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.266 -0.879 . . . . 72.129999999999995 109.062 173.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 50' ' ' SER . 48.5 t -147.09 141.91 20.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 115.442 -0.799 . . . . 74.420000000000002 108.891 -176.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.8 m -66.41 165.46 14.23 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.609 -0.515 . . . . 63.100000000000001 109.609 173.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.04 133.03 34.06 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.577 -0.527 . . . . 63.25 109.577 176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.722 ' HB3' ' HG3' ' A' ' 24' ' ' LYS . 6.1 mp -94.49 133.39 38.15 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.725 -0.671 . . . . 65.219999999999999 110.886 -172.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 24' ' ' LYS . 11.3 p -124.59 174.26 7.95 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.803 -0.635 . . . . 72.230000000000004 109.559 172.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.03 -31.92 61.46 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.079 0.466 . . . . 73.219999999999999 111.85 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -88.1 -4.65 58.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.699 -0.682 . . . . 74.319999999999993 112.372 -175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.4 m -75.88 116.21 16.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.071 0.462 . . . . 54.520000000000003 110.746 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -109.44 1.91 20.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.343 0.592 . . . . 55.32 109.661 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.56 154.07 29.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.152 -0.931 . . . . 73.030000000000001 110.119 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.636 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.0 152.86 23.27 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.602 -0.518 . . . . 71.510000000000005 109.602 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.448 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 42.0 m -114.52 119.81 38.08 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.098 0.475 . . . . 70.120000000000005 110.476 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.52 28.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.841 -0.618 . . . . 50.439999999999998 109.686 177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.595 ' HA ' ' HA ' ' A' ' 16' ' ' ASP . 37.1 ttm180 -92.62 116.18 28.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.396 -0.365 . . . . 74.230000000000004 110.485 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.01 119.37 38.64 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 71.549999999999997 110.294 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.501 ' HB2' HG21 ' A' ' 8' ' ' ILE . 14.4 tmtt? -107.11 116.07 31.28 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.118 -0.697 . . . . 75.319999999999993 109.118 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -98.69 -176.78 3.46 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.664 -0.698 . . . . 61.100000000000001 110.664 -175.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -89.07 -41.22 12.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.184 0.516 . . . . 61.100000000000001 109.954 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.2 m -130.47 164.09 34.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 75.319999999999993 110.568 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.7 m -67.82 -23.64 65.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.87 0.367 . . . . 72.209999999999994 111.2 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.97 -48.38 82.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.0 -0.545 . . . . 54.039999999999999 110.796 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.49 -40.59 91.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.092 0.472 . . . . 61.119999999999997 110.237 178.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.545 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 3.0 tmmm? -56.42 -53.23 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.054 -0.975 . . . . 60.030000000000001 109.722 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.61 -48.57 81.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.894 -1.048 . . . . 72.349999999999994 111.76 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' ALA . 85.7 mt -61.63 -42.9 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.623 -0.262 . . . . 70.120000000000005 111.557 -176.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -59.88 -44.64 94.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 65.5 110.136 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.717 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 25.6 mm-40 -63.59 -40.59 97.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.779 -0.646 . . . . 60.43 111.566 177.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.98 -40.71 96.99 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.773 0.321 . . . . 73.299999999999997 111.173 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.72 -43.05 85.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 64.439999999999998 111.242 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.564 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 22.3 p -66.44 -23.82 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.274 -0.421 . . . . 71.299999999999997 111.96 -175.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.717 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 16.7 mmt85 -58.6 -44.39 89.85 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.002 0.429 . . . . 73.010000000000005 110.616 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 m -84.24 -28.96 26.88 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 116.089 -0.505 . . . . 74.329999999999998 111.301 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.564 ' HB3' ' HA ' ' A' ' 78' ' ' THR . 12.0 tp -72.09 -40.28 68.33 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.155 0.502 . . . . 41.240000000000002 110.86 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.76 ' HB1' ' HB2' ' A' ' 87' ' ' HIS . . . -83.3 14.58 3.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.047 -0.524 . . . . 51.420000000000002 111.348 -177.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -76.61 -31.16 57.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.903 -0.589 . . . . 73.209999999999994 109.613 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.8 mt -94.67 -7.91 39.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.721 0.772 . . . . 72.439999999999998 110.511 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -108.58 -170.88 1.75 Allowed 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.252 -1.34 . . . . 71.209999999999994 108.93 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -114.95 88.98 2.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.998 0.427 . . . . 74.109999999999999 110.337 178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.76 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 89.3 m-70 -147.42 119.43 8.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.256 -0.429 . . . . 75.519999999999996 110.453 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -123.95 107.52 11.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.148 0.499 . . . . 72.129999999999995 110.056 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -68.85 105.96 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.66 -0.7 . . . . 61.240000000000002 111.208 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -99.57 100.09 11.05 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.235 -1.024 . . . . 74.319999999999993 108.235 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.371 -0.823 . . . . 74.010000000000005 109.913 -173.62 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 121.048 0.451 . . . . 71.140000000000001 110.416 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.22 65.98 0.58 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.753 -0.737 . . . . 71.319999999999993 111.632 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -67.7 114.8 6.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.832 0.349 . . . . 62.399999999999999 110.972 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.6 mm -86.19 163.68 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.806 -0.634 . . . . 72.299999999999997 109.296 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.37 52.61 4.76 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.215 -0.517 . . . . 64.340000000000003 113.568 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -123.82 157.94 32.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.89 0.376 . . . . 75.140000000000001 110.151 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.4 mt -79.64 -36.22 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.048 -0.524 . . . . 71.030000000000001 110.28 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.8 mt -84.64 120.34 35.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.157 -0.474 . . . . 72.420000000000002 110.708 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' HG11 ' A' ' 14' ' ' VAL . 4.2 ttmp? -82.81 161.39 22.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.542 -0.754 . . . . 61.409999999999997 110.32 -178.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.08 170.43 9.97 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.73 0.412 . . . . 73.040000000000006 111.04 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 167.58 -174.73 42.66 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.803 -0.713 . . . . 70.450000000000003 112.142 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -79.01 -15.6 58.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.997 0.427 . . . . 74.519999999999996 110.676 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.71 14.04 21.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.656 . . . . 74.510000000000005 110.418 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' ' 9' ' ' LYS . 47.4 t -130.07 138.27 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.793 -0.64 . . . . 74.439999999999998 111.027 -177.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.697 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -156.74 140.74 16.29 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.742 -0.466 . . . . 61.109999999999999 109.742 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.722 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 18.1 p30 -107.35 150.26 26.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.417 0.627 . . . . 62.439999999999998 110.818 177.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.2 t -121.27 133.11 68.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.374 -0.83 . . . . 50.420000000000002 109.528 177.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 m -104.93 110.79 23.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.463 -0.79 . . . . 72.439999999999998 109.555 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' HB ' HD21 ' A' ' 59' ' ' LEU . 22.4 mt -99.0 143.62 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.068 -0.515 . . . . 62.329999999999998 110.613 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -128.46 140.6 51.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.684 -0.689 . . . . 74.329999999999998 109.351 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.765 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -155.53 -179.43 8.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.682 0.277 . . . . 74.120000000000005 111.069 178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -65.84 -42.56 90.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 62.009999999999998 111.772 -176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.504 ' H ' ' HB3' ' A' ' 26' ' ' ALA . 24.3 p -146.18 169.74 18.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 72.430000000000007 111.796 -171.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -48.91 -50.81 33.42 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.509 -0.769 . . . . 62.32 111.086 172.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.05 -45.49 86.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.436 -0.802 . . . . 72.230000000000004 110.834 178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 23' ' ' THR . . . -63.19 -37.77 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 62.420000000000002 111.101 178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.7 mp -56.38 -53.94 51.47 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.118 -0.492 . . . . 71.120000000000005 110.127 174.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.37 -33.69 76.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 65.450000000000003 111.947 -177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.4 m -64.56 -46.59 82.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 53.009999999999998 110.959 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -71.47 -39.25 71.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 73.310000000000002 110.163 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 tp -57.76 -45.41 85.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.729 -0.669 . . . . 75.439999999999998 110.434 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.53 -41.23 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.251 -0.886 . . . . 72.239999999999995 111.01 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -63.76 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 63.43 111.143 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -70.03 -36.43 75.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.46 -0.336 . . . . 73.120000000000005 110.681 177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.404 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 72.3 mt -64.95 -40.99 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.22 0.533 . . . . 71.120000000000005 109.81 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -61.81 -43.3 99.12 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.359 -0.837 . . . . 73.230000000000004 111.108 176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.48 -33.38 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.969 -0.56 . . . . 64.049999999999997 109.954 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.07 76.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.938 -0.574 . . . . 51.340000000000003 110.701 -178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 35' ' ' ILE . 4.1 mptp? -64.32 -28.83 69.98 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.241 -0.436 . . . . 70.420000000000002 110.757 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -68.82 -33.8 74.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.954 -0.566 . . . . 73.439999999999998 110.262 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -86.85 -43.35 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 73.099999999999994 111.335 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.6 t -148.4 137.0 21.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.098 0.475 . . . . 41.240000000000002 110.517 -176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.49 -10.06 56.58 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.982 -0.554 . . . . 62.409999999999997 110.788 177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.09 34.59 4.77 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.948 -0.644 . . . . 64.409999999999997 112.098 -179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.0 p -77.58 126.77 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.323 0.582 . . . . 72.450000000000003 111.307 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.13 132.8 46.42 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.142 -0.688 . . . . 71.329999999999998 109.142 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 18.6 p90 -144.34 142.21 30.25 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.846 0.684 . . . . 72.409999999999997 112.846 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.99 160.74 22.16 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.853 -1.067 . . . . 65.549999999999997 108.125 170.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 44.5 t -145.52 137.97 20.74 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 109.322 -0.621 . . . . 63.200000000000003 109.322 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.92 147.07 30.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.912 -0.773 . . . . 54.530000000000001 108.912 173.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.05 146.1 30.8 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 120.484 -0.486 . . . . 62.240000000000002 110.073 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.49 149.78 29.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.783 -0.644 . . . . 74.349999999999994 110.883 -174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.65 -165.95 1.11 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.441 -0.8 . . . . 73.099999999999994 109.258 177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.69 -53.92 19.31 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.908 -0.317 . . . . 72.209999999999994 111.14 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -109.52 28.25 8.73 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.855 -0.338 . . . . 72.420000000000002 111.866 -176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -65.02 120.28 12.33 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.293 0.568 . . . . 51.450000000000003 110.774 176.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.9 mttt -119.79 8.55 11.17 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.112 -0.949 . . . . 72.510000000000005 108.663 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -144.9 142.66 30.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.182 -1.372 . . . . 75.019999999999996 109.868 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.659 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.4 pt? -146.16 152.97 40.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.775 0.322 . . . . 73.510000000000005 110.136 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.7 m -116.99 115.52 25.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.356 -0.383 . . . . 71.340000000000003 110.695 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.16 114.84 29.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.998 -0.547 . . . . 52.420000000000002 110.708 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.722 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 22.1 tpp85 -92.96 115.4 28.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.915 -0.584 . . . . 71.319999999999993 109.782 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -109.35 138.12 46.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.991 0.424 . . . . 73.25 111.486 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -129.21 133.58 47.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.661 -0.699 . . . . 71.420000000000002 109.85 171.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -109.37 -177.96 3.43 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 73.340000000000003 110.332 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -78.88 -52.1 8.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.097 -0.502 . . . . 73.420000000000002 110.022 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.1 m -115.83 155.99 17.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.252 -0.431 . . . . 53.509999999999998 110.592 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.95 -27.16 68.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.031 -0.531 . . . . 64.230000000000004 111.435 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.495 ' O ' HG12 ' A' ' 73' ' ' ILE . . . -63.07 -45.1 93.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.713 -0.676 . . . . 72.510000000000005 110.911 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 56.7 mt-10 -60.09 -36.97 78.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.155 0.502 . . . . 71.239999999999995 110.748 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.697 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -62.14 -53.68 51.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 74.409999999999997 109.652 178.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 92.3 mt -60.35 -43.12 96.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.185 -0.916 . . . . 72.040000000000006 111.525 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 69' ' ' ALA . 35.3 mm -60.91 -40.91 86.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.644 0.259 . . . . 71.109999999999999 110.975 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.391 -0.368 . . . . 75.5 110.084 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.93 -39.54 94.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.115 -0.493 . . . . 62.119999999999997 110.791 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 82.4 mt -66.94 -43.97 81.81 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 116.079 -0.51 . . . . 33.240000000000002 111.506 179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.74 -34.68 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.433 -0.349 . . . . 75.150000000000006 111.753 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.3 p -68.6 -29.16 67.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.943 -0.303 . . . . 74.349999999999994 110.795 178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.9 mmt180 -59.58 -43.69 93.55 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.874 0.369 . . . . 72.239999999999995 111.102 175.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.4 m -76.06 -17.81 59.48 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.104 -0.498 . . . . 52.119999999999997 111.544 -178.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 tp -91.45 -40.29 11.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.385 0.612 . . . . 50.310000000000002 110.458 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.91 28.66 7.37 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.723 -0.671 . . . . 72.409999999999997 111.075 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 83' ' ' ARG . 41.9 ttp180 -68.09 -18.01 64.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.347 0.594 . . . . 64.120000000000005 110.137 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.7 51.67 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.609 -0.723 . . . . 44.130000000000003 109.734 176.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -84.3 -166.78 1.54 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.305 -0.862 . . . . 50.039999999999999 111.831 -175.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -120.15 5.93 10.78 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.581 -0.736 . . . . 64.120000000000005 110.681 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.55 -173.48 3.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.517 -0.31 . . . . 43.32 110.987 -176.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 25.0 m170 71.68 -59.81 0.54 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 73.530000000000001 112.039 173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 72.63 -45.73 0.63 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 123.779 0.831 . . . . 74.129999999999995 110.335 -175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -82.18 135.04 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.022 -0.732 . . . . 64.140000000000001 109.022 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 16.7 m80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.805 -1.093 . . . . 72.200000000000003 110.856 177.401 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.895 0 CA-C-O 120.795 0.331 . . . . 62.100000000000001 110.672 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.48 -95.2 1.09 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.92 -0.657 . . . . 41.210000000000001 111.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -129.71 129.77 44.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.744 -0.465 . . . . 71.420000000000002 109.744 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 mt -107.8 154.85 8.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.149 0.499 . . . . 62.399999999999999 110.21 -178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 162.07 47.3 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 109.91 -1.276 . . . . 44.439999999999998 109.91 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -113.18 165.95 11.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.945 -0.627 . . . . 73.420000000000002 110.982 -172.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.0 -50.92 78.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.704 -0.68 . . . . 72.439999999999998 110.709 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 82.0 mt -68.2 132.06 33.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.8 -0.637 . . . . 72.530000000000001 110.624 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 55.1 pttt -80.49 -175.86 5.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.665 -0.698 . . . . 72.140000000000001 110.657 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -78.89 177.24 8.89 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.964 0.411 . . . . 72.409999999999997 110.853 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 165.41 166.44 24.4 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.95 -0.643 . . . . 71.010000000000005 111.703 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -83.95 -14.42 50.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.066 0.46 . . . . 73.5 110.204 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -96.96 -4.67 39.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.515 0.674 . . . . 61.420000000000002 109.489 176.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -93.83 123.65 46.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 75.439999999999998 110.269 179.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB3' ' HE1' ' A' ' 65' ' ' PHE . . . -109.75 114.78 28.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 35.450000000000003 110.261 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -88.42 129.38 35.44 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.177 -0.675 . . . . 73.299999999999997 109.177 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.4 t -124.94 138.58 53.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 121.297 0.57 . . . . 62.310000000000002 110.114 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.5 m -124.78 110.21 14.05 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 115.762 -0.653 . . . . 75.299999999999997 109.465 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -98.4 136.49 29.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.199 -0.667 . . . . 63.32 109.199 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -135.03 139.7 45.02 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.029 0.442 . . . . 74.129999999999995 111.34 -176.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -166.64 170.01 13.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.176 -0.92 . . . . 54.32 108.784 178.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 67.9 mm-40 -86.28 -12.05 50.56 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.751 0.648 . . . . 74.140000000000001 112.751 -174.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 68.8 p -123.72 143.35 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.957 -0.297 . . . . 71.430000000000007 110.57 176.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.17 -35.21 78.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.37 0.605 . . . . 65.549999999999997 109.403 176.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.99 -44.34 74.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.748 -1.114 . . . . 75.400000000000006 111.035 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.26 96.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.723 0.296 . . . . 40.399999999999999 110.601 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 21' ' ' ALA . 10.3 mp -55.12 -48.95 72.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 73.310000000000002 110.359 175.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -65.75 -29.32 69.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.703 -0.68 . . . . 72.230000000000004 111.697 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.7 m -77.19 -50.3 13.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.436 -0.347 . . . . 63.009999999999998 111.089 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.46 ' O ' ' HD1' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -64.65 -38.6 91.57 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.279 -0.419 . . . . 53.210000000000001 111.054 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.1 tp -57.0 -45.46 82.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.108 0.48 . . . . 71.409999999999997 110.419 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.96 -38.79 73.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.199 -0.909 . . . . 54.119999999999997 111.228 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.71 -38.93 92.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 75.109999999999999 111.354 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 59.0 m-85 -68.63 -38.64 80.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.453 -0.34 . . . . 72.540000000000006 110.392 177.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.1 mt -65.04 -40.76 90.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.107 0.479 . . . . 65.450000000000003 109.991 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -57.9 -48.88 78.57 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.742 -0.663 . . . . 63.299999999999997 111.1 175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.8 mt -70.47 -26.73 63.76 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.73 -0.668 . . . . 63.229999999999997 111.355 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.48 -51.43 51.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.839 0.352 . . . . 45.509999999999998 110.379 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 46.6 mtmt -64.28 -29.82 70.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.688 -0.687 . . . . 75.230000000000004 110.028 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -61.53 -34.77 76.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.202 -0.908 . . . . 74.420000000000002 110.417 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.57 -53.98 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 115.937 -0.574 . . . . 65.5 110.23 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.617 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 10.4 p -143.07 141.17 31.2 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.083 0.468 . . . . 51.43 110.713 -174.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.47 -25.17 22.75 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.694 -0.684 . . . . 72.040000000000006 110.091 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.83 44.62 2.53 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.743 -0.662 . . . . 73.209999999999994 112.366 -179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 7.1 p -98.16 122.82 50.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.018 0.437 . . . . 75.200000000000003 110.665 178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -95.3 135.38 36.97 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.257 -0.646 . . . . 73.109999999999999 109.257 175.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 38.3 p90 -143.17 145.28 32.67 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.838 0.827 . . . . 63.039999999999999 112.325 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -119.94 167.12 12.46 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.759 -1.109 . . . . 75.310000000000002 108.337 171.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 p -159.78 152.83 5.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.932 -0.396 . . . . 65.540000000000006 109.932 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -68.74 161.64 27.94 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.7 -0.481 . . . . 60.210000000000001 109.7 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -89.64 133.16 34.77 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.072 0.463 . . . . 52.32 109.773 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 52' ' ' LEU . 3.2 mm? -69.37 117.83 11.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 75.140000000000001 110.811 -177.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.6 p -91.09 -170.68 2.74 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.759 -0.655 . . . . 70.120000000000005 109.283 176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -73.7 -34.01 64.65 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 111.864 0.32 . . . . 74.430000000000007 111.864 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -131.98 39.0 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.891 0.33 . . . . 73.030000000000001 111.891 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -65.97 113.84 4.72 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 51.049999999999997 110.359 173.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 22' ' ' GLU . 35.1 mmtp -84.06 -21.31 31.61 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 73.140000000000001 109.839 176.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.24 145.88 30.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.186 -0.461 . . . . 72.329999999999998 110.431 -178.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 59' ' ' LEU . 2.4 pt? -131.55 146.8 52.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.802 -0.635 . . . . 73.219999999999999 109.398 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.3 m -106.93 124.72 50.03 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.073 -0.512 . . . . 74.340000000000003 110.445 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.13 138.39 53.61 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.839 -0.619 . . . . 61.200000000000003 110.074 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 32.5 ttm180 -117.11 115.41 25.32 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.24 -0.436 . . . . 72.400000000000006 110.177 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -105.36 114.27 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.058 -0.519 . . . . 72.430000000000007 110.959 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -95.35 105.96 17.96 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.657 -0.701 . . . . 64.319999999999993 109.954 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' HD2' ' SG ' ' A' ' 42' ' ' CYS . 95.2 m-85 -88.22 169.91 11.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.271 -0.422 . . . . 74.010000000000005 110.191 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.06 -56.91 15.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.323 0.582 . . . . 75.109999999999999 109.958 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.401 HG22 ' HG2' ' A' ' 70' ' ' GLU . 26.6 m -133.56 171.59 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.513 -0.767 . . . . 72.120000000000005 109.816 176.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.0 p -68.59 -22.35 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.877 0.37 . . . . 71.409999999999997 111.536 -177.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.9 76.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 73.319999999999993 110.754 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' HG22 ' A' ' 67' ' ' VAL . 9.5 mm-40 -61.43 -38.04 85.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.393 0.616 . . . . 73.349999999999994 109.892 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 30.4 ttpt -57.75 -57.25 13.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.968 -1.015 . . . . 64.439999999999998 110.511 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 68' ' ' SER . 94.6 mt -51.99 -43.35 63.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.665 -1.152 . . . . 52.340000000000003 111.651 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.426 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 75.2 mt -61.48 -46.72 96.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 63.310000000000002 110.47 178.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.59 -46.45 84.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 65.400000000000006 110.531 176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 39.0 mt-10 -61.83 -37.89 86.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 73.129999999999995 110.905 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.9 mt -66.53 -42.9 86.52 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 116.391 -0.368 . . . . 62.450000000000003 111.451 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 73' ' ' ILE . 43.4 mtmt -72.89 -34.21 66.52 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.107 -0.237 . . . . 70.439999999999998 111.545 -177.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 p -69.55 -24.84 63.77 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.712 0.264 . . . . 74.349999999999994 111.712 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 98.8 mtt180 -59.95 -44.51 94.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.864 0.364 . . . . 74.129999999999995 110.909 177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -68.34 -12.88 61.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.165 -0.47 . . . . 75.450000000000003 111.863 179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 tp -95.75 -38.23 10.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.028 0.442 . . . . 75.019999999999996 110.771 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 83' ' ' ARG . . . -97.59 32.35 2.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.853 -0.612 . . . . 73.209999999999994 112.197 -172.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB3' ' O ' ' A' ' 82' ' ' ALA . 14.4 tpp180 72.69 131.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.604 0.716 . . . . 73.540000000000006 111.869 179.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -100.91 63.95 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.513 -0.767 . . . . 73.239999999999995 110.947 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 87' ' ' HIS . 6.7 pt-20 -77.0 167.56 21.61 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.961 -0.563 . . . . 53.409999999999997 110.341 176.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -84.6 60.91 6.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.346 -0.613 . . . . 75.430000000000007 109.346 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 11.8 t60 -78.97 56.13 1.9 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.553 -0.749 . . . . 73.209999999999994 110.793 -174.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -130.98 33.97 4.12 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.251 -0.648 . . . . 74.439999999999998 109.251 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -142.47 138.67 31.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.747 -0.661 . . . . 74.349999999999994 109.855 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -149.02 120.87 8.15 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.71 -0.478 . . . . 73.219999999999999 109.71 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 56.9 m80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.502 -0.761 . . . . 71.540000000000006 109.803 175.57 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.083 -0.34 . . . . 52.340000000000003 110.083 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.55 171.23 17.66 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.208 -0.757 . . . . 62.539999999999999 111.208 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.16 145.88 25.14 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.189 0.519 . . . . 65.040000000000006 111.466 -177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 4' ' ' ILE . 2.4 mp -85.4 159.51 3.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.678 -0.692 . . . . 74.200000000000003 109.807 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.11 -24.66 39.99 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.009 -0.615 . . . . 62.210000000000001 113.028 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.439 ' CZ ' ' HB ' ' A' ' 60' ' ' THR . 56.4 m-85 59.23 -170.27 0.13 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.221 0.608 . . . . 64.150000000000006 111.836 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' ' OD1' ' A' ' 48' ' ' ASN . 59.7 mt -66.77 -65.09 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.586 -0.524 . . . . 64.140000000000001 109.586 176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.2 120.92 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 N-CA-C 109.305 -0.628 . . . . 72.030000000000001 109.305 171.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -79.38 -175.83 4.91 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.559 -0.746 . . . . 75.129999999999995 110.857 -176.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.96 173.23 6.66 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.117 -0.492 . . . . 63.130000000000003 110.552 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.67 -161.9 30.11 Favored Glycine 0 N--CA 1.44 -1.062 0 C-N-CA 119.822 -1.18 . . . . 71.510000000000005 112.717 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -107.07 -20.46 13.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.702 0.763 . . . . 71.439999999999998 109.03 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -103.03 -4.07 25.11 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.558 -1.201 . . . . 72.200000000000003 109.138 177.672 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -101.78 126.46 55.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.267 -0.879 . . . . 55.009999999999998 110.57 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.547 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -111.95 104.4 12.67 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.896 -0.593 . . . . 65.040000000000006 109.48 174.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -90.7 134.75 34.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 65.25 110.155 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.71 139.66 50.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.568 -0.742 . . . . 74.519999999999996 110.575 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -109.56 116.36 31.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.203 -0.908 . . . . 73.310000000000002 109.063 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.552 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 14.0 mt -98.35 137.88 24.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.328 -0.396 . . . . 71.109999999999999 110.178 -174.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.8 137.93 53.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.852 -0.613 . . . . 71.140000000000001 110.407 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -160.73 160.13 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.992 -0.549 . . . . 73.510000000000005 110.131 178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -83.03 -45.33 14.18 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.809 0.3 . . . . 74.030000000000001 111.809 -176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.5 p -107.39 151.88 24.93 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 121.068 -0.253 . . . . 74.019999999999996 111.127 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -61.05 -35.39 76.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 75.129999999999995 110.427 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.91 -43.9 94.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.929 -0.578 . . . . 74.420000000000002 110.481 174.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.82 98.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 60.43 110.509 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 21' ' ' ALA . 4.0 mp -55.28 -49.97 70.73 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.914 0.387 . . . . 72.319999999999993 110.62 174.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.01 -33.63 76.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.064 -0.516 . . . . 72.099999999999994 111.582 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -70.54 -50.1 41.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.538 -0.301 . . . . 54.130000000000003 110.958 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -61.27 -41.95 97.81 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 116.288 -0.415 . . . . 72.219999999999999 110.771 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD13 HD11 ' A' ' 59' ' ' LEU . 52.3 tp -58.57 -51.22 70.84 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.903 -0.59 . . . . 50.229999999999997 109.93 178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.589 ' O ' ' HG2' ' A' ' 36' ' ' GLU . . . -51.49 -50.53 59.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.968 -1.014 . . . . 73.109999999999999 111.001 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -62.21 -39.39 92.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 72.120000000000005 111.742 -177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -73.95 -31.3 62.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.497 -0.319 . . . . 65.439999999999998 110.341 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.4 -37.33 70.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.272 0.558 . . . . 74.140000000000001 109.607 172.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 25.7 mm-40 -63.37 -41.06 98.79 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.765 -0.652 . . . . 74.129999999999995 110.414 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD21 ' HE3' ' A' ' 77' ' ' LYS . 2.5 tt -61.54 -38.14 86.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.694 -0.684 . . . . 75.430000000000007 109.978 174.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.91 97.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 40.329999999999998 110.838 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -63.25 -31.15 72.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.306 0.574 . . . . 72.120000000000005 110.536 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.1 t -72.41 -20.03 61.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 73.510000000000005 110.232 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -93.93 -47.16 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 110.735 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 29.2 t -147.36 139.83 24.67 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 120.897 0.38 . . . . 74.040000000000006 110.249 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.9 -9.43 51.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.153 -0.476 . . . . 53.130000000000003 111.16 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.17 21.45 22.27 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.693 -0.765 . . . . 52.329999999999998 112.36 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.5 p -68.33 116.68 8.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.506 0.67 . . . . 63.420000000000002 111.639 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -90.85 138.1 31.85 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.469 -0.937 . . . . 74.329999999999998 108.469 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 55.3 p90 -142.73 155.78 44.92 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 119.626 -0.83 . . . . 73.0 112.781 -174.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 7' ' ' ILE . 17.3 m120 -129.99 163.55 26.21 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.592 -1.185 . . . . 70.25 108.898 171.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.5 t -144.13 138.63 24.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.569 -0.742 . . . . 74.239999999999995 109.221 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 p -62.9 158.8 18.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.02 0.438 . . . . 72.140000000000001 110.792 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.42 ' HG2' ' H ' ' A' ' 51' ' ' GLU . 5.6 pt-20 -78.09 120.33 22.77 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.893 -0.594 . . . . 74.25 110.176 -178.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD21 HD13 ' A' ' 59' ' ' LEU . 94.7 mt -76.35 144.23 40.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.345 -0.843 . . . . 71.340000000000003 111.12 -173.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.3 p -127.14 173.08 9.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.839 -0.618 . . . . 72.140000000000001 109.776 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.63 -48.12 82.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.414 -0.357 . . . . 72.150000000000006 111.672 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -115.26 44.39 1.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.626 0.602 . . . . 50.25 112.626 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p -85.93 116.73 24.34 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.547 -0.909 . . . . 70.439999999999998 108.547 165.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -91.0 -2.9 57.63 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.162 0.506 . . . . 74.120000000000005 110.108 -176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.7 162.57 40.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.771 -0.649 . . . . 70.230000000000004 109.885 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.552 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.5 pt? -148.7 154.87 40.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 63.350000000000001 110.018 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.439 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 18.3 m -112.09 126.46 55.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.32 -0.4 . . . . 52.350000000000001 110.428 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -116.84 138.64 51.37 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.014 -0.539 . . . . 64.540000000000006 111.071 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.517 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 10.5 mmt180 -103.08 115.99 31.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.879 -0.6 . . . . 52.049999999999997 109.582 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.21 105.8 15.0 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.722 -0.391 . . . . 74.200000000000003 110.18 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -100.16 116.16 31.52 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.245 -0.434 . . . . 63.409999999999997 110.26 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -99.11 -171.3 2.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.011 -0.541 . . . . 70.019999999999996 110.073 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -87.31 -49.38 7.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.038 0.447 . . . . 75.120000000000005 110.51 -178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.41 157.01 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.805 -0.634 . . . . 71.319999999999993 110.885 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.0 m -62.66 -19.83 64.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.456 -0.793 . . . . 65.150000000000006 111.716 -177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -68.06 -37.96 81.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.051 -0.522 . . . . 65.209999999999994 111.105 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.34 -32.08 71.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.013 -0.539 . . . . 74.420000000000002 110.628 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.547 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 58.5 tttp -54.88 -59.39 4.8 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.839 0.828 . . . . 52.229999999999997 110.004 173.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -55.04 -47.56 74.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.092 -1.413 . . . . 75.150000000000006 111.698 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.8 mt -57.83 -45.59 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.738 0.304 . . . . 74.120000000000005 111.205 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.59 -44.86 95.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.411 . . . . 53.539999999999999 110.661 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.09 -28.96 69.22 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 62.450000000000003 111.216 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.72 -47.78 36.86 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 120.848 0.356 . . . . 73.450000000000003 111.314 176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.536 ' HE3' HD21 ' A' ' 37' ' ' LEU . 32.5 mtmt -68.18 -32.24 72.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.493 -0.321 . . . . 71.329999999999998 111.531 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.4 p -66.8 -31.23 71.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.599 0.238 . . . . 54.399999999999999 111.559 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.572 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 3.9 mmp_? -62.04 -44.05 97.52 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 120.855 0.359 . . . . 64.510000000000005 111.247 178.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -82.49 -12.78 57.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.297 -0.41 . . . . 72.239999999999995 111.411 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 tp -93.49 -41.84 9.57 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.064 0.459 . . . . 64.349999999999994 110.544 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.0 16.91 19.6 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.9 -0.591 . . . . 72.049999999999997 111.339 -174.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.781 ' HA ' ' HE ' ' A' ' 83' ' ' ARG . 0.6 OUTLIER -167.71 162.98 14.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.73 -0.841 . . . . 70.109999999999999 108.73 178.798 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 78.2 mt -83.26 33.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 54.140000000000001 110.856 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG3' ' HB3' ' A' ' 83' ' ' ARG . 52.9 mt-10 -83.92 156.27 22.44 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.973 0.892 . . . . 62.329999999999998 111.913 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -164.12 94.44 0.74 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.749 -1.568 . . . . 64.040000000000006 108.473 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -46.2 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.879 -0.601 . . . . 73.319999999999993 110.655 -176.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 61.94 90.58 0.07 Allowed 'General case' 0 CA--C 1.529 0.16 0 O-C-N 123.79 0.681 . . . . 55.119999999999997 111.606 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -150.47 -64.84 0.2 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.459 -0.571 . . . . 73.510000000000005 109.459 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 69.58 140.85 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.258 0.974 . . . . 75.239999999999995 110.985 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 67.1 t60 . . . . . 0 C--O 1.249 1.035 0 N-CA-C 108.866 -0.79 . . . . 74.400000000000006 108.866 175.733 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.458 -0.201 . . . . 54.100000000000001 110.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 87.4 144.62 9.08 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.973 -0.632 . . . . 62.030000000000001 112.462 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.7 133.73 55.74 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.648 -0.501 . . . . 72.040000000000006 109.648 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mt -90.47 163.83 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.172 0.51 . . . . 73.230000000000004 110.468 -174.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.37 42.97 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.198 -1.161 . . . . 64.230000000000004 110.198 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.57 ' HZ ' ' HB ' ' A' ' 60' ' ' THR . 62.0 m-85 -110.27 174.28 5.94 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.929 -0.636 . . . . 73.310000000000002 110.994 -173.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -75.39 -52.37 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.734 -0.666 . . . . 74.319999999999993 110.212 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 79.6 mt -89.35 131.08 37.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.831 -0.622 . . . . 71.450000000000003 110.438 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.651 ' HD3' ' N ' ' A' ' 10' ' ' GLU . 13.0 tmtt? -81.43 155.94 25.63 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 116.082 -0.508 . . . . 75.0 110.057 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.651 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 4.1 tm-20 -53.83 162.76 0.84 Allowed 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 115.259 -0.882 . . . . 71.140000000000001 111.594 176.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.8 -177.55 43.08 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.391 -0.909 . . . . 40.149999999999999 112.816 -176.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.27 -40.2 96.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.243 0.544 . . . . 72.420000000000002 110.847 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -97.15 6.1 49.06 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.47 -0.786 . . . . 70.430000000000007 110.36 -176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -109.97 139.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.389 -0.823 . . . . 75.219999999999999 110.509 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -135.64 138.65 43.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.433 -0.348 . . . . 72.140000000000001 110.422 175.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -97.95 138.38 35.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.062 0.458 . . . . 74.530000000000001 110.013 177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.9 t -123.19 129.25 75.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-N 115.642 -0.708 . . . . 73.049999999999997 109.127 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.7 m -115.53 114.19 24.65 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 115.883 -0.598 . . . . 72.319999999999993 110.119 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 14.4 mt -97.95 134.8 34.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.037 -0.727 . . . . 73.239999999999995 109.037 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.595 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 29.2 p90 -140.42 140.95 35.55 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 116.026 -0.534 . . . . 75.409999999999997 110.621 -177.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -167.32 -171.31 1.68 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.498 -0.773 . . . . 72.409999999999997 109.841 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -94.98 -15.17 23.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.708 -0.224 . . . . 63.409999999999997 111.261 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -130.22 143.75 50.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 74.319999999999993 111.542 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD2' ' HA ' ' A' ' 54' ' ' GLU . 68.1 tttt -59.89 -38.95 83.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.499 0.666 . . . . 74.209999999999994 109.328 174.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.49 -45.29 66.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.54 -1.209 . . . . 70.209999999999994 111.495 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.45 -44.47 91.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.398 -0.365 . . . . 55.25 110.251 179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD23 HD22 ' A' ' 59' ' ' LEU . 9.9 mp -54.72 -50.61 67.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 74.519999999999996 110.669 175.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.88 -41.57 98.03 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.024 -0.535 . . . . 75.299999999999997 111.526 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 m -63.92 -45.33 89.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 72.200000000000003 110.997 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -72.19 -37.9 69.19 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 116.043 -0.526 . . . . 74.200000000000003 111.119 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.2 tp -57.18 -48.52 78.53 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.143 0.497 . . . . 55.140000000000001 109.917 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.93 -44.1 70.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.116 -0.947 . . . . 61.340000000000003 111.111 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -64.34 -41.6 96.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.765 0.317 . . . . 51.210000000000001 110.916 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -68.34 -36.53 79.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.244 -0.434 . . . . 71.329999999999998 110.833 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.545 HG22 ' HE3' ' A' ' 39' ' ' LYS . 78.0 mt -66.68 -36.57 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.115 0.484 . . . . 61.140000000000001 109.769 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -65.75 -43.73 88.08 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.758 -0.655 . . . . 63.509999999999998 111.309 177.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.539 HD11 HD22 ' A' ' 81' ' ' LEU . 64.5 mt -66.37 -34.09 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.854 0.359 . . . . 75.030000000000001 110.317 175.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.84 -36.42 83.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.794 -0.639 . . . . 62.240000000000002 110.616 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HE3' HG22 ' A' ' 35' ' ' ILE . 92.1 mttt -65.37 -45.0 85.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.298 -0.41 . . . . 75.530000000000001 110.881 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 m -63.12 -31.36 72.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 35.340000000000003 111.177 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 37' ' ' LEU . 91.4 t -85.68 -39.27 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.378 -0.374 . . . . 43.409999999999997 111.195 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.541 ' HB3' ' HB ' ' A' ' 45' ' ' VAL . 46.3 t -145.96 116.3 7.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.847 0.356 . . . . 33.420000000000002 110.488 -175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.76 87.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.25 -0.432 . . . . 64.109999999999999 111.046 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.83 55.65 0.5 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.975 -0.631 . . . . 62.43 111.749 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 42' ' ' CYS . 6.3 p -72.4 128.7 35.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.165 0.507 . . . . 63.100000000000001 111.506 -177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -93.27 122.98 36.23 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.086 -0.506 . . . . 70.239999999999995 109.641 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 39.1 p90 -144.8 150.66 37.55 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.683 -0.69 . . . . 75.310000000000002 112.111 -176.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -122.51 167.62 13.14 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.134 -1.062 . . . . 73.230000000000004 108.134 172.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -157.77 148.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.806 0.336 . . . . 74.120000000000005 110.533 -176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.47 156.48 39.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.125 -0.489 . . . . 75.5 110.077 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 1.1 pm0 -95.84 129.15 43.17 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.366 0.603 . . . . 62.219999999999999 109.403 177.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD13 ' HE3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -116.65 162.65 17.32 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.619 -0.719 . . . . 63.140000000000001 112.284 -172.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.0 p -114.35 -166.54 1.11 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.017 -0.992 . . . . 50.030000000000001 108.751 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.565 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 2.6 mp0 -79.62 -12.75 59.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.861 0.362 . . . . 65.209999999999994 110.807 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -101.96 -5.51 24.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.222 -0.444 . . . . 72.099999999999994 112.134 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.7 m -69.27 122.4 18.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.141 0.496 . . . . 63.049999999999997 110.85 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.595 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 87.8 mttt -95.39 -9.8 31.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.87 -0.604 . . . . 72.230000000000004 110.739 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.519 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.4 pt-20 -143.57 150.86 39.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.847 0.356 . . . . 72.349999999999994 111.239 -176.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD22 HD23 ' A' ' 27' ' ' LEU . 2.7 pt? -149.74 148.55 29.38 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.976 -0.75 . . . . 62.009999999999998 108.976 170.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.57 ' HB ' ' HZ ' ' A' ' 6' ' ' PHE . 57.4 m -110.64 118.84 37.28 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.207 -0.451 . . . . 75.420000000000002 110.365 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.52 122.91 48.03 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.898 -0.592 . . . . 52.549999999999997 109.942 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 36.4 ttm180 -104.54 115.9 31.15 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.947 -0.569 . . . . 71.099999999999994 110.351 -176.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -112.74 135.7 53.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.78 0.324 . . . . 74.25 111.846 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -123.79 120.06 31.55 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.822 -0.807 . . . . 75.530000000000001 108.822 169.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -100.13 -169.87 1.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 74.409999999999997 111.5 -171.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.626 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 24.3 mm-40 -47.85 -55.04 10.69 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.587 -0.733 . . . . 74.430000000000007 110.512 178.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG22 ' HG2' ' A' ' 70' ' ' GLU . 21.8 m -144.42 175.44 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.249 -0.887 . . . . 63.399999999999999 109.11 177.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -67.79 -23.38 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.859 0.361 . . . . 44.530000000000001 111.756 -178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.91 85.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.073 -0.512 . . . . 74.450000000000003 110.979 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.626 ' HG3' ' HB2' ' A' ' 66' ' ' GLU . 7.9 mm-40 -64.13 -32.62 74.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.17 -0.468 . . . . 52.039999999999999 110.218 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 22.7 ttmt -53.42 -58.53 6.8 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.574 0.702 . . . . 54.420000000000002 109.842 175.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 91.0 mt -50.78 -47.76 59.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.096 -1.411 . . . . 63.329999999999998 111.316 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.53 HG22 ' HE2' ' A' ' 77' ' ' LYS . 63.4 mt -60.96 -43.78 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.801 0.334 . . . . 53.119999999999997 111.158 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -62.3 -47.95 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.413 -0.358 . . . . 64.420000000000002 110.215 177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 5.8 mm-40 -55.18 -47.21 75.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 63.100000000000001 110.487 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 56.7 mt -58.18 -45.7 87.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.041 -0.527 . . . . 74.109999999999999 111.647 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HE2' HG22 ' A' ' 73' ' ' ILE . 55.8 mtmt -73.57 -32.33 64.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.518 -0.31 . . . . 54.109999999999999 111.335 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 85.3 m -64.83 -47.77 76.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.751 0.31 . . . . 61.32 110.599 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 79' ' ' ARG . 11.8 mmt180 -57.9 -44.9 87.04 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.732 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 m -67.23 -37.6 83.85 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.988 -0.551 . . . . 64.310000000000002 111.502 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.539 HD22 HD11 ' A' ' 37' ' ' LEU . 12.7 tp -70.77 -40.1 72.83 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.299 -0.41 . . . . 60.399999999999999 110.427 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.51 9.15 14.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.36 -0.382 . . . . 53.0 111.612 -176.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -103.26 -46.94 4.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.314 -0.403 . . . . 65.510000000000005 110.577 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -112.21 11.65 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.184 0.516 . . . . 72.409999999999997 110.787 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 52.33 -157.36 0.14 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.855 -1.066 . . . . 55.229999999999997 110.916 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.21 85.05 0.58 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.018 0.437 . . . . 65.040000000000006 110.163 174.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -86.44 135.0 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.286 -0.635 . . . . 74.420000000000002 109.286 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -122.25 119.07 30.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.111 0.481 . . . . 75.549999999999997 111.964 -176.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -134.56 -1.84 2.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.366 -0.834 . . . . 64.420000000000002 108.832 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -163.95 141.95 7.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.216 -0.902 . . . . 74.0 109.69 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.374 -0.822 . . . . 74.109999999999999 109.861 177.16 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.939 0.4 . . . . 72.430000000000007 109.974 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 109.94 51.42 0.64 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.978 -0.849 . . . . 45.539999999999999 110.978 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.69 134.47 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.489 . . . . 73.329999999999998 110.534 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.465 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -101.13 164.73 2.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.542 -0.754 . . . . 74.209999999999994 110.779 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -83.41 49.52 4.24 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.979 -0.629 . . . . 60.140000000000001 113.289 -176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.592 ' HZ ' ' HG ' ' A' ' 50' ' ' SER . 61.1 m-85 -108.51 157.67 18.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.719 -0.474 . . . . 73.420000000000002 109.719 175.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.3 mt -71.3 -54.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.932 0.396 . . . . 61.409999999999997 110.539 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.563 HD13 ' HG2' ' A' ' 64' ' ' LYS . 77.3 mt -82.43 133.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.071 -0.513 . . . . 70.209999999999994 110.475 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -95.99 -175.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.529 -0.76 . . . . 65.230000000000004 110.961 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -71.13 165.45 23.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.214 -0.448 . . . . 75.010000000000005 111.271 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.44 -164.77 34.15 Favored Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 111.335 -0.706 . . . . 61.210000000000001 111.335 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -98.54 -25.94 14.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.789 0.804 . . . . 71.049999999999997 109.26 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 1.2 pm0 -98.86 -0.33 42.62 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.49 -1.232 . . . . 71.209999999999994 110.092 177.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HG2' ' A' ' 13' ' ' GLU . 37.0 t -125.41 133.54 69.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.775 -0.648 . . . . 61.140000000000001 110.589 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . . . -141.47 151.88 43.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.366 -0.379 . . . . 72.129999999999995 110.269 178.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 5.9 p-10 -104.98 133.61 49.48 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.425 0.631 . . . . 75.329999999999998 110.238 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.6 t -120.46 128.32 76.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 115.327 -0.851 . . . . 62.130000000000003 109.704 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 59' ' ' LEU . 57.5 m -111.15 117.53 33.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.193 -0.912 . . . . 61.039999999999999 109.258 179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 55.5 mt -97.43 144.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 109.783 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -122.34 138.41 54.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.035 -0.529 . . . . 71.239999999999995 110.367 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.92 160.19 16.53 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.23 -0.895 . . . . 70.040000000000006 108.904 177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -82.28 -36.45 27.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.962 0.356 . . . . 60.310000000000002 111.962 -174.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -110.65 144.88 38.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.699 -0.228 . . . . 64.200000000000003 111.07 -178.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 62.4 tttm -55.97 -43.11 77.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.196 -0.456 . . . . 71.140000000000001 110.956 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -53.26 -46.3 69.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.492 -0.776 . . . . 75.329999999999998 110.945 174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.69 97.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.48 -0.327 . . . . 64.310000000000002 110.744 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' A' ' 21' ' ' ALA . 5.9 mp -54.23 -53.87 47.69 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.338 0.59 . . . . 73.109999999999999 110.137 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -68.04 -31.06 70.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.189 -0.914 . . . . 72.140000000000001 112.141 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -74.71 -46.82 35.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.507 0.194 . . . . 64.109999999999999 111.191 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -68.87 -34.65 75.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.042 0.449 . . . . 35.130000000000003 109.842 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.33 -50.27 59.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.406 -0.816 . . . . 73.5 110.347 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.44 -40.56 71.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.004 -0.998 . . . . 42.409999999999997 111.303 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.63 -35.43 80.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.795 0.331 . . . . 75.540000000000006 111.021 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -69.23 -39.22 78.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.33 -0.395 . . . . 75.109999999999999 110.564 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.6 mt -65.09 -40.56 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.915 -0.402 . . . . 72.209999999999994 109.915 176.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -59.98 -45.38 92.89 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.861 -0.609 . . . . 52.43 110.981 176.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -33.61 76.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.129 -0.487 . . . . 51.109999999999999 109.955 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.07 76.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 72.519999999999996 110.152 -179.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.96 -30.81 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 74.430000000000007 110.762 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -65.88 -30.44 71.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.663 -0.698 . . . . 43.420000000000002 110.703 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.3 t -93.99 -45.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 61.149999999999999 111.029 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 45.6 t -134.28 125.54 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.248 -0.433 . . . . 75.430000000000007 110.168 -174.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.15 -7.5 59.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.973 -0.558 . . . . 55.32 110.92 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -118.32 34.85 4.25 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.693 -0.765 . . . . 41.229999999999997 112.12 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.74 124.51 40.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.203 0.525 . . . . 61.32 111.312 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -110.11 151.31 27.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.522 -0.763 . . . . 71.549999999999997 109.268 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 51.5 p90 -143.79 150.92 39.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.119 0.785 . . . . 70.540000000000006 113.119 -176.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 62' ' ' ARG . 12.8 m120 -115.08 168.79 9.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.365 -1.289 . . . . 72.040000000000006 107.702 169.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.3 146.35 8.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.693 -0.403 . . . . 62.409999999999997 110.757 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.592 ' HG ' ' HZ ' ' A' ' 6' ' ' PHE . 1.5 m -68.91 168.19 14.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.942 -0.572 . . . . 65.219999999999999 109.679 174.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.48 133.36 34.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.967 0.413 . . . . 65.239999999999995 109.91 177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.34 157.24 19.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.957 -0.565 . . . . 73.239999999999995 110.776 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 47.7 p -133.2 -171.95 2.82 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.758 -0.656 . . . . 64.409999999999997 109.655 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -83.14 -28.16 29.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.706 0.765 . . . . 71.129999999999995 109.804 178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -97.49 -4.22 38.42 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.955 -1.02 . . . . 74.109999999999999 111.988 -175.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 p -76.12 115.84 16.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.98 0.419 . . . . 61.149999999999999 111.332 -178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -97.44 9.92 41.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.762 -0.654 . . . . 53.439999999999998 109.558 173.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 12.1 pt-20 -150.12 154.06 37.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.508 -0.769 . . . . 73.120000000000005 110.356 -177.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD22 HD23 ' A' ' 27' ' ' LEU . 2.6 pt? -150.61 141.87 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.639 -0.504 . . . . 61.340000000000003 109.639 174.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.1 m -104.27 120.62 41.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.099 0.475 . . . . 73.140000000000001 110.549 -178.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.17 55.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.91 -0.586 . . . . 72.040000000000006 110.464 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 23.9 tpp180 -93.09 114.92 27.58 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.353 -0.61 . . . . 72.420000000000002 109.353 179.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -109.43 126.01 53.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.795 0.331 . . . . 72.299999999999997 111.265 -177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.563 ' HG2' HD13 ' A' ' 8' ' ' ILE . 9.4 ptmt -112.33 131.01 55.75 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.256 -0.646 . . . . 73.549999999999997 109.256 171.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.48 169.48 8.83 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.195 -0.668 . . . . 64.510000000000005 109.195 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.04 -49.6 67.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.68 -0.489 . . . . 74.329999999999998 109.68 -177.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.14 163.42 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.031 -0.531 . . . . 71.329999999999998 110.442 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 19.5 m -68.5 -26.03 65.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.085 0.469 . . . . 73.120000000000005 111.189 -175.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.06 79.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.731 -0.668 . . . . 74.340000000000003 111.01 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 71.200000000000003 110.605 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.703 ' HD2' ' HB2' ' A' ' 15' ' ' ALA . 11.9 ttpt -66.06 -50.24 64.83 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.161 -0.681 . . . . 72.019999999999996 109.161 175.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' SER . 87.4 mt -52.0 -49.96 62.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.513 -1.221 . . . . 72.420000000000002 111.747 -178.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.3 mt -58.24 -47.58 87.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 63.119999999999997 110.937 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -61.1 -51.01 70.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.054 -0.521 . . . . 73.549999999999997 110.454 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 9.9 mm-40 -60.27 -30.3 69.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.854 -0.612 . . . . 71.140000000000001 111.675 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.9 mt -72.96 -39.97 65.72 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 120.977 0.417 . . . . 73.209999999999994 110.964 178.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -79.39 -29.16 41.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.132 -0.486 . . . . 75.409999999999997 111.7 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.6 p -69.54 -35.47 75.47 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.934 -0.307 . . . . 73.109999999999999 110.961 177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 4.0 mmp_? -57.43 -44.4 84.66 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.17 0.51 . . . . 72.420000000000002 110.647 175.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 m -77.17 -19.96 56.1 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.666 -0.697 . . . . 50.450000000000003 111.403 -178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.2 tp -83.55 -42.54 16.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.252 -0.431 . . . . 65.209999999999994 110.281 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.38 15.43 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.072 -0.513 . . . . 73.099999999999994 111.277 -175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.879 ' HG2' ' HG2' ' A' ' 85' ' ' GLU . 52.0 ttt180 -74.79 -56.73 4.48 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.379 -0.828 . . . . 72.310000000000002 109.815 179.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.1 mt 52.92 34.54 16.98 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.405 0.891 . . . . 75.109999999999999 113.405 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.879 ' HG2' ' HG2' ' A' ' 83' ' ' ARG . 12.8 pt-20 -122.25 -167.32 1.54 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.769 0.319 . . . . 74.299999999999997 110.368 178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -79.42 142.76 35.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.277 -0.42 . . . . 71.0 110.162 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -83.26 38.84 0.62 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.242 0.46 . . . . 52.439999999999998 112.242 -172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -142.71 56.95 1.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.005 -0.739 . . . . 72.109999999999999 109.005 173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -168.34 86.51 0.2 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.797 -0.638 . . . . 64.230000000000004 110.859 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -103.28 -33.66 9.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.955 -0.757 . . . . 74.209999999999994 108.955 173.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 115.385 -0.825 . . . . 64.450000000000003 109.435 178.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 120.652 0.263 . . . . 73.140000000000001 110.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.8 56.26 0.41 Allowed Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 110.871 -0.892 . . . . 71.430000000000007 110.871 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.52 136.96 35.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.442 -0.379 . . . . 53.43 110.285 -174.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.85 165.63 2.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.388 -0.369 . . . . 73.340000000000003 110.525 -175.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.78 40.25 0.13 Allowed Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.159 -0.777 . . . . 54.119999999999997 111.159 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -85.28 -175.96 5.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.158 -0.521 . . . . 71.430000000000007 111.149 -175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.41 -49.83 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.997 -0.547 . . . . 65.239999999999995 109.889 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.9 mt -86.32 130.54 36.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.762 -0.654 . . . . 73.129999999999995 110.079 177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -76.31 174.69 9.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.784 -0.644 . . . . 73.219999999999999 111.161 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -70.15 163.16 26.92 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.791 -0.64 . . . . 72.420000000000002 110.714 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.17 172.46 45.16 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.744 -0.741 . . . . 61.340000000000003 112.264 -177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -79.57 -23.24 42.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.068 0.461 . . . . 72.329999999999998 110.686 -178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.27 4.12 33.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.716 -0.675 . . . . 74.310000000000002 110.484 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.87 139.28 19.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.865 -0.607 . . . . 64.140000000000001 110.563 -177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.16 114.57 9.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.263 -0.426 . . . . 74.120000000000005 110.863 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.575 ' HA ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 p30 -101.02 129.29 46.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.563 0.697 . . . . 53.229999999999997 110.63 174.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.8 t -116.26 142.08 31.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 64.010000000000005 110.435 -176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.2 m -105.33 110.18 22.44 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.733 -0.667 . . . . 75.450000000000003 110.198 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.436 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 53.6 mt -99.73 143.37 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.391 -0.596 . . . . 62.049999999999997 109.391 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -141.35 143.57 34.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.167 0.508 . . . . 64.349999999999994 111.602 -177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -169.87 163.26 9.63 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.205 -0.907 . . . . 53.039999999999999 109.463 177.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.29 -28.25 53.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.283 0.475 . . . . 75.510000000000005 112.283 -175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.6 p -115.49 147.68 40.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.623 0.249 . . . . 73.340000000000003 111.38 -176.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -62.87 -36.05 82.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.32 0.581 . . . . 45.340000000000003 110.093 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.06 -43.8 82.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.958 . . . . 74.439999999999998 110.923 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.39 91.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.274 -0.421 . . . . 72.200000000000003 110.38 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 21' ' ' ALA . 6.5 mp -55.33 -53.56 54.67 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 116.381 -0.372 . . . . 71.409999999999997 110.431 175.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.94 -42.77 99.49 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.757 -0.656 . . . . 64.219999999999999 111.823 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.9 t -65.15 -50.42 66.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.876 0.369 . . . . 74.540000000000006 110.917 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.97 -37.02 83.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.175 0.512 . . . . 71.329999999999998 110.311 -177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.0 tp -58.74 -50.92 72.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.567 -0.742 . . . . 64.329999999999998 110.329 175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.68 -40.54 69.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 71.329999999999998 111.406 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.97 -41.4 91.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.939 0.4 . . . . 74.140000000000001 110.794 178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -41.89 98.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.661 -0.699 . . . . 62.119999999999997 110.547 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.0 mt -65.75 -41.19 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.082 -0.508 . . . . 75.430000000000007 110.773 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.76 -37.54 87.94 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 116.276 -0.42 . . . . 70.040000000000006 110.801 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.2 -38.72 91.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.174 -0.466 . . . . 61.210000000000001 109.759 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -53.07 38.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.901 -0.591 . . . . 42.130000000000003 111.458 -175.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 68.2 mttm -68.58 -21.32 64.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 65.120000000000005 111.807 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -70.72 -21.05 62.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.917 0.389 . . . . 72.150000000000006 110.505 177.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -103.54 -52.75 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.606 -0.516 . . . . 72.219999999999999 109.606 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 37.0 t -122.18 100.95 7.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.665 -0.698 . . . . 74.310000000000002 109.185 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.12 -46.02 91.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.911 0.386 . . . . 73.420000000000002 111.46 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.77 39.66 3.11 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.956 -0.64 . . . . 72.540000000000006 112.763 -177.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -76.59 127.52 37.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.083 0.468 . . . . 71.400000000000006 110.245 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -90.78 144.96 25.19 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.442 -0.577 . . . . 61.109999999999999 109.442 176.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 28.7 p90 -139.2 154.55 48.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.766 0.793 . . . . 74.349999999999994 112.017 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.51 166.62 15.1 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.216 -1.357 . . . . 53.130000000000003 108.342 168.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.94 142.84 5.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 116.056 -0.52 . . . . 74.140000000000001 110.177 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -69.66 163.57 25.31 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.067 -0.515 . . . . 65.420000000000002 110.074 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -92.97 132.59 36.94 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.67 -0.493 . . . . 75.299999999999997 109.67 176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mp -88.18 120.56 29.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.707 -0.679 . . . . 62.149999999999999 111.042 -171.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -92.51 -164.54 1.19 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.831 -0.622 . . . . 62.130000000000003 111.344 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.06 -56.12 26.3 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.141 -0.481 . . . . 65.129999999999995 110.715 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -103.05 45.92 0.94 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 70.530000000000001 111.852 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 p -71.6 96.64 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.281 0.562 . . . . 63.229999999999997 109.82 172.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -106.84 16.76 23.99 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.307 -0.861 . . . . 70.140000000000001 108.927 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 10.3 pt-20 -167.02 154.22 8.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 114.525 -1.216 . . . . 71.340000000000003 109.755 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.5 pt? -159.06 150.55 20.47 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.727 -0.471 . . . . 65.209999999999994 109.727 175.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.7 m -108.87 118.03 35.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.029 0.442 . . . . 71.239999999999995 110.566 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.77 118.07 35.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.87 -0.604 . . . . 74.400000000000006 110.15 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.593 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 29.8 ttm180 -100.82 118.02 36.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.4 -0.364 . . . . 74.340000000000003 110.967 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -106.27 126.7 52.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.325 -0.398 . . . . 51.149999999999999 110.66 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -106.17 117.19 33.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.563 -0.532 . . . . 70.420000000000002 109.563 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -92.59 175.78 6.7 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.247 -0.433 . . . . 64.219999999999999 110.207 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -78.72 -43.98 24.55 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.485 -0.561 . . . . 65.420000000000002 109.485 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.5 m -128.98 155.5 41.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.688 -0.687 . . . . 75.319999999999993 109.98 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 15.9 m -65.57 -17.95 64.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 70.140000000000001 111.593 -177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -66.84 -38.33 86.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.07 -0.514 . . . . 65.439999999999998 110.379 177.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -66.38 -34.09 77.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.016 -0.538 . . . . 74.530000000000001 110.238 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 56.9 tttp -55.82 -59.94 4.17 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 115.633 -0.712 . . . . 70.239999999999995 109.686 174.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 93.8 mt -54.78 -47.89 73.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.485 -1.234 . . . . 74.109999999999999 111.558 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -57.81 -47.56 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 120.864 0.364 . . . . 63.32 111.058 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -62.79 -42.32 99.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.033 0.444 . . . . 54.149999999999999 110.811 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 75.9 mt-10 -68.75 -28.73 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 74.299999999999997 110.883 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 79' ' ' ARG . 49.2 mt -69.36 -43.26 73.98 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.866 0.365 . . . . 72.209999999999994 110.89 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.24 -41.18 77.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.326 -0.397 . . . . 75.230000000000004 111.162 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -68.63 -20.5 64.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.28 -0.418 . . . . 74.219999999999999 111.54 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 76' ' ' LEU . 9.9 mmm180 -59.05 -43.77 91.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.978 0.418 . . . . 54.32 110.807 174.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.1 m -77.63 -41.64 37.76 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 115.831 -0.622 . . . . 74.25 112.043 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 tp -73.78 -42.81 60.49 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 121.119 0.485 . . . . 74.120000000000005 110.43 -177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.41 76.12 0.96 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.751 0.786 . . . . 62.030000000000001 110.294 -174.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.1 ttt-85 -94.59 3.27 55.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.352 -0.84 . . . . 64.140000000000001 109.585 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.0 mt -97.65 6.15 48.39 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 115.362 -0.836 . . . . 75.340000000000003 110.494 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -122.52 -175.69 3.2 Favored 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.702 -1.135 . . . . 71.340000000000003 109.277 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -120.51 76.22 1.17 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.494 0.664 . . . . 72.519999999999996 109.722 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -76.25 100.52 5.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.854 -1.066 . . . . 75.439999999999998 110.391 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -96.98 146.26 25.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.36 -0.382 . . . . 73.530000000000001 110.806 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.19 106.01 18.02 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.734 -0.469 . . . . 63.520000000000003 109.734 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -76.19 116.93 17.36 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.803 0.335 . . . . 73.310000000000002 110.25 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.559 -0.734 . . . . 73.430000000000007 109.502 175.307 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 110.185 -0.302 . . . . 52.109999999999999 110.185 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.9 108.56 0.51 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.912 -0.661 . . . . 70.120000000000005 111.866 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -68.23 137.81 55.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 60.340000000000003 110.823 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.563 ' HB ' ' HD1' ' A' ' 6' ' ' PHE . 1.2 pt -135.29 160.43 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 115.574 -0.739 . . . . 71.099999999999994 110.288 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.48 59.96 4.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.251 -0.5 . . . . 51.340000000000003 112.691 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.563 ' HD1' ' HB ' ' A' ' 4' ' ' ILE . 69.8 m-85 -115.87 175.64 5.45 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.559 -0.321 . . . . 74.310000000000002 110.263 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.8 mt -68.38 -50.17 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.433 . . . . 71.340000000000003 110.417 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.551 HD13 ' HG2' ' A' ' 64' ' ' LYS . 73.9 mt -80.14 120.42 31.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.719 0.771 . . . . 74.219999999999999 110.513 177.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' O ' HG11 ' A' ' 14' ' ' VAL . 89.5 mttt -94.06 -178.11 4.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.831 -1.077 . . . . 63.439999999999998 110.007 -178.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.55 164.36 26.77 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.029 0.442 . . . . 73.5 111.844 -174.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.7 162.96 30.45 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.038 -0.825 . . . . 62.439999999999998 111.038 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.48 -17.72 63.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.01 0.433 . . . . 71.340000000000003 110.426 -178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.82 9.86 16.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.994 -0.548 . . . . 63.240000000000002 110.521 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' O ' ' A' ' 9' ' ' LYS . 43.5 t -109.88 124.67 66.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.499 -0.319 . . . . 73.030000000000001 110.638 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.556 ' HB2' ' HG3' ' A' ' 71' ' ' LYS . . . -129.66 126.39 38.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.908 0.385 . . . . 72.239999999999995 111.074 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.674 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.6 p30 -101.84 145.0 29.79 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.167 -0.47 . . . . 64.329999999999998 110.39 176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.2 t -125.12 132.54 71.1 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.656 -0.702 . . . . 55.43 109.716 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.6 m -105.83 109.62 21.64 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.393 -0.821 . . . . 54.140000000000001 108.797 176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 59' ' ' LEU . 33.0 mt -98.84 142.79 14.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.02 -0.537 . . . . 74.299999999999997 110.419 -173.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -121.97 140.66 52.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.889 -0.596 . . . . 71.420000000000002 110.081 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.05 167.96 24.44 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.113 -0.494 . . . . 64.329999999999998 109.922 173.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -74.04 -40.53 62.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.615 0.245 . . . . 73.349999999999994 110.923 -176.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.6 p -131.39 170.63 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.326 -0.397 . . . . 51.329999999999998 110.721 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -62.08 -43.01 99.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.53 -0.304 . . . . 72.219999999999999 110.937 -178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -56.28 -48.39 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.268 -0.424 . . . . 71.439999999999998 111.254 178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.74 93.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 110.559 177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' HG ' HD22 ' A' ' 59' ' ' LEU . 6.9 tp -59.39 -49.99 75.69 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.824 -0.625 . . . . 74.120000000000005 110.169 177.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.0 -37.17 81.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 74.349999999999994 111.457 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.5 m -69.04 -44.86 71.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.035 0.445 . . . . 32.140000000000001 110.902 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -62.58 -46.84 86.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.731 -0.668 . . . . 62.32 110.577 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.9 tp -52.79 -51.24 61.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.588 -0.733 . . . . 75.209999999999994 111.175 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.04 -31.41 63.12 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.271 -0.877 . . . . 35.109999999999999 111.7 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -74.82 -40.12 61.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 72.430000000000007 111.532 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -70.5 -33.1 70.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.375 -0.375 . . . . 70.030000000000001 110.899 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.527 HG22 ' HE2' ' A' ' 39' ' ' LYS . 70.4 mt -67.67 -35.86 74.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 71.230000000000004 110.047 175.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.18 -46.61 88.18 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.082 -0.508 . . . . 73.540000000000006 110.362 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.25 -37.97 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.803 -0.635 . . . . 61.149999999999999 110.175 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.16 -47.26 71.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 71.400000000000006 111.304 -177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' HE2' HG22 ' A' ' 35' ' ' ILE . 58.3 mtmt -69.28 -22.72 63.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 61.140000000000001 111.249 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.3 t -70.53 -23.39 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 71.340000000000003 110.334 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.0 t -98.82 -44.73 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.191 0.519 . . . . 52.119999999999997 110.475 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.661 ' SG ' ' HB ' ' A' ' 45' ' ' VAL . 5.0 p -138.98 126.03 21.2 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.008 -0.542 . . . . 61.030000000000001 110.646 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.41 -24.69 25.63 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 65.310000000000002 110.299 178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.39 49.79 1.03 Allowed Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.871 -0.604 . . . . 61.130000000000003 111.66 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.661 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 11.6 p -99.68 133.83 41.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.772 0.32 . . . . 73.420000000000002 110.521 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HB2' ' CG ' ' A' ' 64' ' ' LYS . 11.8 mp0 -97.64 135.88 38.82 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.366 -0.605 . . . . 63.210000000000001 109.366 172.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 33.6 p90 -142.33 150.92 41.4 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.117 0.484 . . . . 73.319999999999993 111.259 178.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -116.81 160.78 20.31 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.926 -0.768 . . . . 63.210000000000001 108.926 172.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.3 t -140.04 139.34 37.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.558 -0.746 . . . . 71.209999999999994 109.198 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.5 161.61 25.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.958 -0.386 . . . . 71.129999999999995 109.958 177.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.18 128.08 34.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.218 -0.66 . . . . 74.209999999999994 109.218 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.79 122.13 26.24 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.86 -0.422 . . . . 73.219999999999999 109.86 -177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.4 p -84.55 -167.02 1.63 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.783 -0.644 . . . . 64.200000000000003 110.071 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -81.5 -39.05 25.33 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.47 0.652 . . . . 73.299999999999997 109.261 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.507 ' HB3' ' NZ ' ' A' ' 57' ' ' LYS . 66.5 mm-40 -107.09 33.99 3.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.944 -1.025 . . . . 74.409999999999997 111.318 -178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.5 p -70.31 102.15 2.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.049 0.452 . . . . 73.129999999999995 111.245 177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' A' ' 55' ' ' GLU . 3.9 mppt? -98.38 4.26 48.54 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.2 -0.667 . . . . 73.019999999999996 109.2 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 1.0 OUTLIER -156.15 157.89 36.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.34 -0.846 . . . . 63.130000000000003 110.19 179.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.596 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.1 pt? -157.05 157.11 34.0 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.341 -0.614 . . . . 70.200000000000003 109.341 174.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -113.27 115.36 28.06 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.905 0.383 . . . . 74.510000000000005 110.705 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -114.82 117.19 30.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.014 -0.539 . . . . 71.409999999999997 109.769 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.674 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 34.6 ttm180 -108.74 123.03 48.37 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.782 -0.367 . . . . 72.150000000000006 111.37 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -107.57 125.22 51.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.51 -0.768 . . . . 71.239999999999995 109.68 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.551 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -104.73 123.61 47.94 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.51 0.672 . . . . 74.0 109.824 174.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.458 ' HD1' ' HG ' ' A' ' 42' ' ' CYS . 87.1 m-85 -92.34 178.74 5.75 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.344 -0.844 . . . . 75.549999999999997 109.452 -177.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -90.86 -40.29 11.84 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 120.755 0.312 . . . . 71.239999999999995 110.695 179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 29.2 m -125.87 152.25 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.292 -0.413 . . . . 63.109999999999999 110.441 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.1 m -61.84 -23.74 66.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 73.019999999999996 111.826 -176.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -31.96 73.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 71.340000000000003 111.148 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 52.0 mt-10 -68.42 -32.76 73.02 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.031 -0.531 . . . . 72.340000000000003 110.874 -178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.556 ' HG3' ' HB2' ' A' ' 15' ' ' ALA . 36.3 ttmt -61.05 -57.07 14.14 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.263 0.554 . . . . 71.310000000000002 109.931 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.9 mt -50.13 -44.13 52.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.391 -1.277 . . . . 70.510000000000005 111.581 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.52 -52.69 56.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.524 -0.307 . . . . 73.129999999999995 110.856 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -59.32 -49.81 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 73.010000000000005 110.621 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -57.9 -37.81 74.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 62.340000000000003 111.267 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.0 mt -69.79 -39.41 76.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.801 0.334 . . . . 74.219999999999999 111.185 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.09 -39.75 71.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.19 -0.459 . . . . 70.25 111.092 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.4 p -65.14 -40.83 94.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 41.439999999999998 110.821 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -59.99 -44.59 94.41 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 111.488 176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.8 m -73.59 -22.47 60.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.118 -0.492 . . . . 74.230000000000004 111.433 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 tp -79.72 -39.28 31.49 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.127 -0.488 . . . . 71.239999999999995 110.445 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.71 66.33 5.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.336 0.588 . . . . 74.120000000000005 110.064 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -164.23 167.56 19.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.357 -0.838 . . . . 74.349999999999994 109.884 -175.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 87.0 mt -82.56 36.43 0.48 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.849 0.357 . . . . 64.310000000000002 111.814 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 68.69 176.81 0.27 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.469 -0.787 . . . . 53.5 112.579 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 64.46 -179.63 0.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 114.655 -1.157 . . . . 71.530000000000001 112.056 174.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.0 t60 64.62 81.01 0.22 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.678 -0.692 . . . . 72.420000000000002 111.033 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -139.38 58.17 1.63 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.997 -0.547 . . . . 73.120000000000005 110.144 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.6 t60 56.76 81.86 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.624 -0.716 . . . . 43.43 109.875 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -69.93 129.81 40.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.002 -0.545 . . . . 73.510000000000005 111.705 -172.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--O 1.245 0.834 0 CA-C-N 115.272 -0.876 . . . . 72.310000000000002 108.834 173.593 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.111 -0.329 . . . . 54.219999999999999 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -122.7 124.76 5.79 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.64 -0.79 . . . . 53.409999999999997 112.569 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -89.54 146.26 24.72 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.495 -0.557 . . . . 75.140000000000001 109.495 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.425 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.4 mt -115.96 163.04 13.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.614 -0.513 . . . . 74.439999999999998 109.614 -176.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.43 45.31 2.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.324 -0.465 . . . . 65.450000000000003 113.537 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' HE2' HD12 ' A' ' 4' ' ' ILE . 45.3 m-85 -79.91 166.04 22.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.057 -0.349 . . . . 75.010000000000005 110.057 175.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.8 mt -67.97 -41.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.399 0.619 . . . . 55.140000000000001 109.639 174.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.618 HD13 ' HG2' ' A' ' 64' ' ' LYS . 95.1 mt -92.21 126.85 44.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.321 -0.854 . . . . 62.229999999999997 110.693 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' HG11 ' A' ' 14' ' ' VAL . 20.5 pttm -93.37 166.15 12.43 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.738 -0.665 . . . . 73.409999999999997 110.929 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.37 165.85 7.15 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.868 0.73 . . . . 75.129999999999995 111.819 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.22 -160.04 27.61 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.532 -0.627 . . . . 73.340000000000003 111.532 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.34 -27.72 19.2 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.418 0.628 . . . . 73.340000000000003 109.942 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.48 3.08 45.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.164 -0.926 . . . . 72.030000000000001 109.914 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 9' ' ' LYS . 57.4 t -107.98 142.35 20.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.55 -0.75 . . . . 73.329999999999998 110.999 -175.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.571 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -161.46 116.55 2.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.921 -0.581 . . . . 75.219999999999999 109.883 176.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.735 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . 3.2 p30 -90.54 143.48 26.7 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.231 0.538 . . . . 75.140000000000001 110.063 174.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.6 t -113.98 125.14 71.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.006 0 CA-C-N 115.192 -0.913 . . . . 74.030000000000001 109.513 177.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 m -98.53 111.36 23.75 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.844 -1.071 . . . . 72.329999999999998 108.816 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 58' ' ' GLU . 15.8 mt -98.17 136.14 30.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 109.607 -0.516 . . . . 73.129999999999995 109.607 -176.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 57' ' ' LYS . 7.2 p90 -135.89 135.92 40.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.789 -0.641 . . . . 72.439999999999998 110.749 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -163.02 -179.45 6.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.844 -0.616 . . . . 60.439999999999998 109.981 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -94.87 -15.88 23.33 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.607 0.595 . . . . 74.349999999999994 112.607 -174.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.9 p -133.94 156.21 48.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.103 0.477 . . . . 62.420000000000002 111.695 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . 25.0 ttpp -65.2 -41.76 94.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.604 -0.725 . . . . 71.200000000000003 110.128 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -57.95 -35.97 71.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.425 -0.807 . . . . 73.230000000000004 110.898 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -68.22 -46.31 70.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.41 -0.359 . . . . 74.310000000000002 110.424 176.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD12 ' HB3' ' A' ' 21' ' ' ALA . 8.3 mp -54.24 -50.41 67.24 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.394 0.434 . . . . 64.030000000000001 110.692 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.07 -45.58 83.16 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.048 -0.524 . . . . 64.340000000000003 111.233 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 48.8 m -66.89 -46.7 74.1 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.191 -0.459 . . . . 30.050000000000001 111.293 -177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 29.5 mm-40 -64.6 -43.56 93.41 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.614 -0.266 . . . . 71.329999999999998 111.202 -179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.1 tp -55.33 -49.32 72.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.098 0.475 . . . . 73.430000000000007 110.175 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.02 74.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.053 -0.976 . . . . 23.399999999999999 111.231 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 29' ' ' SER . 75.8 mmtt -65.15 -37.43 87.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.712 -0.222 . . . . 74.030000000000001 111.441 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -69.29 -39.61 78.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.625 -0.261 . . . . 74.439999999999998 110.645 177.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.06 -38.92 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 73.430000000000007 109.839 175.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -58.56 -45.52 88.83 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.604 -0.726 . . . . 73.310000000000002 110.794 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -66.96 -32.26 73.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 75.319999999999993 110.8 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.33 -49.09 58.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 62.310000000000002 110.756 -177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -64.49 -29.24 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 111.016 -179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 t -67.5 -27.08 66.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.967 -0.561 . . . . 55.130000000000003 110.101 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -98.66 -49.75 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.948 -0.569 . . . . 52.039999999999999 111.19 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 18.3 t -139.43 133.07 30.48 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.06 0.457 . . . . 75.329999999999998 110.63 -171.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.11 -22.83 22.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.83 -0.623 . . . . 63.109999999999999 110.861 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.25 28.07 10.46 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.933 -0.651 . . . . 70.409999999999997 112.024 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -79.42 125.12 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.563 0.697 . . . . 71.230000000000004 111.008 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -108.75 145.06 35.71 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.386 -0.824 . . . . 41.32 109.142 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 49.4 p90 -144.49 152.13 40.16 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.749 0.785 . . . . 73.450000000000003 112.807 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.3 167.27 12.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.31 -1.313 . . . . 63.25 107.513 168.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -162.59 149.15 3.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 C-N-CA 120.559 -0.457 . . . . 74.540000000000006 111.137 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 m -77.91 170.01 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.898 -0.592 . . . . 54.310000000000002 110.137 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.25 135.49 35.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.36 -0.608 . . . . 72.040000000000006 109.36 174.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.431 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -107.45 114.53 28.6 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.262 0.553 . . . . 60.329999999999998 111.227 -175.37 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.0 p -122.27 176.8 5.66 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.705 -0.679 . . . . 71.510000000000005 109.407 174.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.33 -19.31 58.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.794 0.33 . . . . 74.420000000000002 111.582 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -86.39 -12.84 48.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.014 0.435 . . . . 62.119999999999997 110.277 173.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.1 m -87.9 101.17 13.47 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.287 -0.635 . . . . 72.239999999999995 109.287 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' A' ' 20' ' ' PHE . 14.4 mmmm -76.67 -9.22 58.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.976 0.417 . . . . 71.530000000000001 110.163 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.547 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 8.8 pt-20 -146.45 146.72 30.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.703 -0.68 . . . . 71.019999999999996 110.864 -177.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.523 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -133.45 140.55 47.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.23 -0.656 . . . . 74.450000000000003 109.23 170.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.8 m -103.56 112.82 25.91 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.091 -0.504 . . . . 71.540000000000006 110.725 -177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.44 111.68 24.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 109.935 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HE ' ' HB3' ' A' ' 16' ' ' ASP . 21.1 tpp85 -90.5 113.85 25.91 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.091 -0.504 . . . . 75.319999999999993 109.88 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -106.94 140.48 39.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 53.130000000000003 110.788 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HG2' HD13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -125.38 141.25 52.17 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.306 -0.628 . . . . 60.140000000000001 109.306 168.643 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 96.8 m-85 -110.77 -178.75 3.56 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 109.364 -0.606 . . . . 65.340000000000003 109.364 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -75.15 -49.35 19.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.102 0.477 . . . . 73.25 110.668 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.07 170.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.999 -0.546 . . . . 72.010000000000005 110.674 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.6 m -66.07 -28.17 68.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.041 0.448 . . . . 74.549999999999997 111.444 -176.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.95 97.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 72.25 111.06 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.498 ' HB2' ' HB3' ' A' ' 65' ' ' PHE . 3.2 mm-40 -59.1 -42.33 90.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.455 0.645 . . . . 75.420000000000002 109.593 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.571 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 1.9 tmmm? -61.65 -52.27 65.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.936 -1.029 . . . . 74.420000000000002 110.032 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.8 mt -56.14 -47.31 78.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.246 -0.888 . . . . 73.299999999999997 111.715 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.446 ' HA ' HD12 ' A' ' 76' ' ' LEU . 71.9 mt -63.42 -34.52 67.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.968 0.414 . . . . 75.150000000000006 111.308 -178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -68.98 -48.01 64.17 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.28 -0.418 . . . . 74.420000000000002 110.195 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.638 ' HA ' ' OG1' ' A' ' 78' ' ' THR . 55.2 mm-40 -66.94 -30.65 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.511 . . . . 54.149999999999999 111.765 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 73' ' ' ILE . 37.8 mt -59.83 -37.66 79.83 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.214 0.531 . . . . 65.310000000000002 110.288 174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -72.65 -46.49 53.68 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.293 -0.867 . . . . 74.25 110.971 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.638 ' OG1' ' HA ' ' A' ' 75' ' ' GLU . 11.5 p -66.3 -36.81 83.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.592 0.59 . . . . 52.020000000000003 112.592 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 43.2 mtm180 -54.66 -50.63 67.72 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 111.993 0.368 . . . . 74.150000000000006 111.993 -176.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.3 t -87.29 -12.83 45.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 73.150000000000006 110.737 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.6 tp -77.55 -47.3 19.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.085 0.469 . . . . 73.5 109.836 177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.0 12.02 6.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.315 0.579 . . . . 73.420000000000002 110.956 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -93.19 -21.18 19.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.396 -0.82 . . . . 44.149999999999999 110.139 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 68.4 mt 57.78 68.38 0.85 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.637 -0.711 . . . . 72.549999999999997 111.544 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 58.38 -146.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.976 -1.011 . . . . 72.209999999999994 111.769 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 43.17 69.65 0.37 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 122.476 1.131 . . . . 75.219999999999999 110.912 -173.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -135.05 49.37 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.262 -0.881 . . . . 74.310000000000002 112.462 -174.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -69.61 -35.38 75.23 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.638 -0.875 . . . . 74.219999999999999 108.638 173.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -134.52 128.79 34.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.671 -1.15 . . . . 54.009999999999998 108.474 170.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -73.76 -9.42 58.64 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.096 -0.242 . . . . 71.329999999999998 110.372 -177.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.25 1.086 0 O-C-N 124.42 1.075 . . . . 63.329999999999998 110.05 -178.42 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' H3 ' HD11 ' A' ' 4' ' ' ILE . . . . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 110.15 -0.315 . . . . 73.319999999999993 110.15 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.99 -100.84 0.48 Allowed Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.06 -0.591 . . . . 63.520000000000003 112.001 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.483 ' HA ' HH22 ' A' ' 62' ' ' ARG . 43.4 tt0 -138.31 136.82 36.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.059 0.457 . . . . 73.329999999999998 109.997 174.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.607 HD12 HG21 ' A' ' 60' ' ' THR . 15.1 mt -129.53 166.32 27.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.439 -0.948 . . . . 51.030000000000001 108.439 -177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.413 ' N ' HG22 ' A' ' 4' ' ' ILE . . . -73.96 55.63 2.22 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.664 -0.303 . . . . 52.240000000000002 113.074 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.458 ' CD2' ' HB ' ' A' ' 4' ' ' ILE . 48.4 m-85 -90.37 168.11 12.13 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 122.6 0.36 . . . . 73.219999999999999 110.059 175.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 73.3 mt -61.04 -40.63 86.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.187 0.518 . . . . 63.109999999999999 109.82 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 64' ' ' LYS . 83.2 mt -98.83 124.13 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.569 -0.742 . . . . 70.219999999999999 110.429 176.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' O ' HG11 ' A' ' 14' ' ' VAL . 46.9 mtmt -100.67 -176.51 3.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.58 -0.737 . . . . 70.019999999999996 109.711 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.601 ' HG2' HH12 ' A' ' 62' ' ' ARG . 3.3 mm-40 -70.79 168.63 16.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.879 0.847 . . . . 64.230000000000004 112.656 -176.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 179.33 -164.69 32.98 Favored Glycine 0 N--CA 1.439 -1.152 0 CA-C-N 114.613 -1.176 . . . . 61.0 110.92 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' HE2' ' A' ' 71' ' ' LYS . 6.5 t70 -91.19 -19.78 22.68 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.213 0.53 . . . . 72.200000000000003 110.205 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' HA ' ' HA ' ' A' ' 68' ' ' SER . 0.0 OUTLIER -111.63 5.52 19.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.597 -0.729 . . . . 63.149999999999999 111.002 178.379 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.522 HG22 ' HG3' ' A' ' 64' ' ' LYS . 47.0 t -106.21 141.29 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.034 -0.53 . . . . 71.310000000000002 110.611 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' HB2' ' HG2' ' A' ' 71' ' ' LYS . . . -131.5 152.86 50.36 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.027 -0.361 . . . . 44.310000000000002 110.027 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -122.59 138.27 54.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.076 0.465 . . . . 64.319999999999993 110.541 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 t -134.01 135.28 55.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.534 -0.757 . . . . 52.210000000000001 109.943 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 m -133.79 116.47 15.74 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.836 -0.62 . . . . 74.209999999999994 109.983 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 59' ' ' LEU . 14.2 mt -100.33 139.96 20.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.108 -0.496 . . . . 74.099999999999994 109.812 -177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' HD1' ' HG2' ' A' ' 58' ' ' GLU . 37.5 m-85 -119.66 132.5 55.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.994 -0.548 . . . . 73.319999999999993 109.906 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -167.34 159.23 12.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.088 -0.505 . . . . 63.399999999999999 110.502 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.38 -51.57 59.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.308 0.484 . . . . 70.120000000000005 112.308 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -102.78 143.46 32.38 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.408 0.522 . . . . 62.409999999999997 112.408 -170.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 52' ' ' LEU . 55.4 tttm -54.26 -36.7 63.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.944 -1.026 . . . . 62.310000000000002 110.718 176.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.43 -46.89 83.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.508 -0.769 . . . . 70.109999999999999 111.091 176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.3 -37.98 89.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 64.340000000000003 110.684 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.818 ' HG ' HD22 ' A' ' 59' ' ' LEU . 10.2 mp -58.07 -54.66 44.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 71.120000000000005 110.296 174.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.74 -40.08 93.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.831 -0.622 . . . . 71.5 112.145 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.7 m -67.13 -46.46 74.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.716 0.294 . . . . 72.120000000000005 111.628 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.533 ' HB3' HD13 ' A' ' 19' ' ' ILE . 1.1 tp10 -70.89 -36.8 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 72.340000000000003 110.104 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD11 ' HB2' ' A' ' 61' ' ' ALA . 24.5 tp -58.14 -46.93 84.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.902 -0.59 . . . . 54.420000000000002 110.505 179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.55 -37.62 65.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.229 -0.896 . . . . 71.409999999999997 111.467 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -68.49 -34.3 75.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.411 -0.359 . . . . 70.109999999999999 111.111 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 30' ' ' GLU . 52.3 m-85 -75.41 -37.94 60.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.278 -0.419 . . . . 71.310000000000002 110.64 177.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.8 mt -64.44 -38.79 83.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.63 -0.507 . . . . 61.229999999999997 109.63 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -63.16 -44.96 94.0 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.483 -0.78 . . . . 73.230000000000004 110.791 176.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.36 -41.42 89.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.037 -0.529 . . . . 51.119999999999997 109.797 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.4 -51.91 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.695 -0.684 . . . . 70.319999999999993 111.099 -174.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 49.3 mtmt -64.28 -30.81 71.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.404 -0.362 . . . . 72.129999999999995 111.151 -178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 t -66.6 -34.97 79.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.884 0.374 . . . . 64.400000000000006 110.328 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.15 -48.67 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.138 -0.483 . . . . 75.049999999999997 110.796 178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.564 ' SG ' ' HG3' ' A' ' 66' ' ' GLU . 45.4 t -136.52 125.96 25.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.286 -0.416 . . . . 60.210000000000001 110.316 -174.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.75 -20.16 28.05 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.007 0.432 . . . . 74.120000000000005 110.692 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.33 26.97 19.0 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.838 -0.696 . . . . 43.100000000000001 111.836 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 126.65 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.431 0.634 . . . . 71.209999999999994 110.939 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -100.18 116.9 33.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.762 -0.829 . . . . 71.439999999999998 108.762 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.3 p90 -131.16 149.98 52.35 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.653 0.739 . . . . 74.430000000000007 112.726 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -119.14 162.26 18.93 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.68 -1.145 . . . . 74.430000000000007 108.42 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.1 t -141.53 137.07 32.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.579 -0.526 . . . . 64.400000000000006 109.579 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 p -71.2 177.77 3.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 65.329999999999998 111.065 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -82.62 129.19 34.9 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.024 -0.535 . . . . 54.109999999999999 111.423 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 85.3 mt -93.45 114.28 26.64 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.467 -0.788 . . . . 73.030000000000001 109.669 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.9 p -131.71 -177.6 4.5 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.353 -0.385 . . . . 60.130000000000003 110.479 -177.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.26 -20.0 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.409 0.623 . . . . 63.409999999999997 109.897 173.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -89.18 -24.9 22.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.458 -0.792 . . . . 74.150000000000006 111.401 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.6 p -79.37 117.11 20.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.057 0.456 . . . . 74.209999999999994 111.934 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 4.8 mptp? -108.59 3.29 22.78 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.196 -1.039 . . . . 50.539999999999999 108.196 168.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.638 ' HG2' ' HD1' ' A' ' 20' ' ' PHE . 10.9 mt-10 -133.97 134.34 42.42 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 114.121 -1.4 . . . . 74.340000000000003 108.56 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.818 HD22 ' HG ' ' A' ' 27' ' ' LEU . 2.3 pt? -133.74 144.78 49.3 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.313 -0.555 . . . . 64.099999999999994 110.13 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.607 HG21 HD12 ' A' ' 4' ' ' ILE . 26.1 m -114.84 127.72 55.88 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.712 -0.676 . . . . 71.439999999999998 110.808 -177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -112.76 113.23 25.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.618 -0.719 . . . . 73.310000000000002 109.417 175.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.601 HH12 ' HG2' ' A' ' 10' ' ' GLU . 2.6 tpp180 -93.07 114.68 27.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.719 -0.673 . . . . 74.219999999999999 109.425 -178.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -111.62 121.08 44.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.816 0.341 . . . . 75.329999999999998 111.211 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.63 ' HB2' HG21 ' A' ' 8' ' ' ILE . 49.9 tttm -113.9 123.74 50.49 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.712 -0.477 . . . . 72.430000000000007 109.712 173.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -95.27 -172.13 2.58 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.325 -0.398 . . . . 74.349999999999994 110.426 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.564 ' HG3' ' SG ' ' A' ' 42' ' ' CYS . 38.3 mt-10 -90.66 -42.51 10.71 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-O 120.981 0.42 . . . . 70.319999999999993 110.437 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 34.7 m -124.53 156.87 32.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.125 -0.489 . . . . 70.420000000000002 110.165 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 4.4 p -62.32 -28.99 70.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.355 0.502 . . . . 52.439999999999998 112.355 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.44 ' O ' HG13 ' A' ' 73' ' ' ILE . . . -60.52 -33.89 73.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.797 -0.638 . . . . 71.219999999999999 111.335 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 54.7 mt-10 -67.84 -28.93 67.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.268 -0.424 . . . . 55.520000000000003 111.271 -176.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG2' ' HB2' ' A' ' 15' ' ' ALA . 1.6 tmmm? -62.0 -54.06 46.9 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.535 0.683 . . . . 75.409999999999997 109.374 175.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -55.58 -45.89 77.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.295 -1.32 . . . . 73.430000000000007 111.39 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 69' ' ' ALA . 80.0 mt -59.84 -43.36 91.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 120.943 0.401 . . . . 74.049999999999997 111.204 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -66.46 -50.06 64.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.124 -0.489 . . . . 75.109999999999999 110.459 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.633 ' O ' ' HG2' ' A' ' 79' ' ' ARG . 21.3 mm-40 -58.98 -40.93 86.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.267 -0.424 . . . . 64.430000000000007 111.394 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.72 -47.38 82.57 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 73.030000000000001 111.113 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -68.53 -36.77 79.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.975 -0.557 . . . . 63.32 110.914 178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 m -63.68 -32.59 74.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.046 -0.525 . . . . 65.230000000000004 111.243 178.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 75' ' ' GLU . 13.4 mmp_? -58.12 -43.75 87.39 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.782 0.325 . . . . 73.299999999999997 110.929 176.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.5 m -83.51 -38.31 21.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.944 -0.571 . . . . 72.400000000000006 111.799 -177.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.64 -40.91 80.05 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.965 0.412 . . . . 74.430000000000007 110.886 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.61 39.95 1.0 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.12 -0.491 . . . . 61.399999999999999 110.297 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HA ' ' HD2' ' A' ' 87' ' ' HIS . 45.1 ttm-85 -71.71 -55.73 7.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.653 -0.703 . . . . 73.439999999999998 110.555 -178.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.1 mt 57.94 22.04 8.33 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.935 0.772 . . . . 61.030000000000001 110.999 -175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 86' ' ' HIS . 19.3 mt-10 53.79 -178.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.479 -1.237 . . . . 73.519999999999996 111.243 -171.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 85' ' ' GLU . 12.2 t-80 68.59 -68.79 0.17 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 109.411 -0.589 . . . . 73.219999999999999 109.411 -171.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.487 ' HD2' ' HA ' ' A' ' 83' ' ' ARG . 8.9 t-80 55.54 99.48 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.007 0.923 . . . . 73.439999999999998 112.86 169.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -74.79 107.67 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.197 0.523 . . . . 74.040000000000006 111.096 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -97.8 141.25 31.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.849 -0.614 . . . . 64.409999999999997 109.742 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -114.58 107.49 15.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.888 0.375 . . . . 75.219999999999999 111.454 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.256 -0.878 . . . . 60.340000000000003 109.5 175.084 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 109.932 -0.395 . . . . 53.240000000000002 109.932 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.94 172.04 12.41 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.03 -0.828 . . . . 72.349999999999994 111.03 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -79.19 94.91 5.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.861 0.839 . . . . 73.209999999999994 110.81 -176.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.502 ' HB ' ' CE2' ' A' ' 6' ' ' PHE . 25.5 mm -90.01 167.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 114.099 -1.409 . . . . 72.439999999999998 108.239 176.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 4' ' ' ILE . . . -71.44 58.34 1.2 Allowed Glycine 0 CA--C 1.518 0.23 0 C-N-CA 121.59 -0.338 . . . . 51.549999999999997 113.389 -177.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.502 ' CE2' ' HB ' ' A' ' 4' ' ' ILE . 71.3 m-85 -95.82 -175.91 3.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.522 -0.339 . . . . 74.430000000000007 110.107 174.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.99 -49.83 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 71.340000000000003 110.612 176.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 46' ' ' GLU . 75.0 mt -94.13 139.18 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 62.109999999999999 111.019 -176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -80.94 -167.94 1.61 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.605 -0.725 . . . . 52.219999999999999 110.466 178.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.92 177.92 7.45 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.166 -0.47 . . . . 74.310000000000002 110.199 173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 161.93 177.67 35.18 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 120.815 -0.707 . . . . 54.149999999999999 111.827 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -77.22 -22.39 52.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.464 0.649 . . . . 55.409999999999997 110.032 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.486 ' HA ' ' HG3' ' A' ' 71' ' ' LYS . 34.1 mt-10 -103.13 13.66 33.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.294 -0.866 . . . . 72.299999999999997 110.16 -178.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 t -118.24 138.86 47.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.616 -0.72 . . . . 71.209999999999994 109.547 177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.605 ' HB2' ' HD3' ' A' ' 71' ' ' LYS . . . -123.07 127.8 49.25 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 110.376 -0.231 . . . . 72.129999999999995 110.376 176.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.46 121.66 30.18 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 108.973 -0.751 . . . . 61.299999999999997 108.973 174.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.3 t -128.14 139.35 52.15 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.25 0 CA-C-N 115.593 -0.73 . . . . 60.32 109.75 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 m -134.61 119.08 17.93 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.564 -0.743 . . . . 65.420000000000002 109.09 177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.669 ' HB ' HD21 ' A' ' 59' ' ' LEU . 23.1 mt -97.75 140.81 17.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 N-CA-C 109.862 -0.422 . . . . 65.319999999999993 109.862 -176.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -117.96 137.61 52.73 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.816 -0.629 . . . . 75.510000000000005 110.116 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.727 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -165.11 161.14 19.42 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.146 -0.934 . . . . 74.420000000000002 109.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -84.06 -42.14 16.44 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.782 -0.367 . . . . 61.119999999999997 111.284 -173.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.7 p -110.06 149.21 30.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.428 -0.351 . . . . 64.329999999999998 111.241 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -58.78 -35.72 73.25 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.006 0.432 . . . . 63.200000000000003 110.456 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -57.07 -45.04 83.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.513 -0.767 . . . . 74.200000000000003 110.369 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.86 84.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.884 -0.598 . . . . 72.299999999999997 110.708 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HB3' ' A' ' 21' ' ' ALA . 7.0 mp -58.81 -51.52 69.64 Favored 'General case' 0 C--N 1.335 -0.046 0 CA-C-O 121.058 0.456 . . . . 74.230000000000004 109.974 174.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -62.36 -45.97 90.77 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.491 -0.777 . . . . 74.0 111.81 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.3 m -60.76 -48.5 81.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.487 -0.324 . . . . 51.100000000000001 111.208 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' HG2' ' CE1' ' A' ' 34' ' ' TYR . 18.2 tt0 -69.86 -41.2 75.15 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.539 -0.3 . . . . 73.420000000000002 110.229 -177.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 45.6 tp -53.41 -48.78 68.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.142 0.496 . . . . 63.219999999999999 110.255 176.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.68 -37.75 68.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.164 -0.925 . . . . 63.210000000000001 111.378 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 32.3 mmtp -72.07 -33.86 68.25 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.651 -0.25 . . . . 75.329999999999998 111.449 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 2.3 m-85 -68.08 -42.13 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.794 -0.447 . . . . 75.329999999999998 109.794 175.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.2 -40.94 90.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.213 -0.449 . . . . 75.140000000000001 110.098 176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -57.55 -50.66 72.35 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.606 -0.725 . . . . 71.409999999999997 110.113 176.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 77' ' ' LYS . 1.2 tt -60.26 -37.86 81.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.487 -0.779 . . . . 72.310000000000002 110.127 177.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.13 -49.86 63.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 71.340000000000003 110.985 -175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' CYS . 64.3 mttm -69.02 -22.2 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 64.439999999999998 111.317 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 m -69.62 -29.54 67.07 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.834 0.35 . . . . 52.32 110.46 174.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.9 t -87.73 -51.61 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 75.400000000000006 110.061 176.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 42.5 t -139.13 124.6 19.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.897 -0.592 . . . . 72.200000000000003 110.417 -177.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.47 -24.48 45.95 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.09 -0.505 . . . . 61.229999999999997 110.865 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.65 29.17 11.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.965 -0.636 . . . . 72.409999999999997 112.264 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.09 128.47 33.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.198 0.523 . . . . 74.5 110.738 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' HB3' HD11 ' A' ' 8' ' ' ILE . 39.6 mt-10 -99.0 125.71 44.53 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.254 -0.647 . . . . 73.549999999999997 109.254 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' O ' ' A' ' 62' ' ' ARG . 36.2 p90 -136.43 154.89 50.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.602 0.715 . . . . 71.209999999999994 111.598 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 61' ' ' ALA . 14.0 m120 -122.57 167.65 13.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.534 -1.212 . . . . 74.209999999999994 108.086 172.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 60' ' ' THR . 13.6 p -156.15 146.14 12.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 121.112 -0.235 . . . . 72.120000000000005 110.414 -178.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.7 p -75.84 -166.62 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.061 -0.518 . . . . 65.519999999999996 110.696 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -92.47 132.33 36.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.116 0.484 . . . . 63.100000000000001 110.741 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.5 mp -88.76 118.4 28.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.717 -0.845 . . . . 74.230000000000004 108.717 173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.6 p -130.05 -170.05 2.24 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.296 0.57 . . . . 74.239999999999995 111.616 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -72.51 -32.55 66.23 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.392 -0.822 . . . . 73.230000000000004 111.342 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -102.9 -0.86 30.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.684 -0.689 . . . . 75.230000000000004 112.371 -173.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.6 p -74.84 103.89 5.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.249 0.547 . . . . 71.450000000000003 111.457 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -90.86 -8.17 50.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.488 -0.93 . . . . 73.540000000000006 108.488 170.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 0.3 OUTLIER -143.29 138.64 29.7 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 114.607 -1.178 . . . . 64.430000000000007 110.329 -177.672 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 19' ' ' ILE . 2.6 pt? -130.25 140.03 50.73 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.147 -0.479 . . . . 70.010000000000005 109.986 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 24.4 m -99.96 124.73 45.62 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.667 -0.697 . . . . 74.209999999999994 110.506 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 48' ' ' ASN . . . -139.23 113.25 8.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.658 -0.497 . . . . 71.109999999999999 109.658 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.464 ' O ' ' HA ' ' A' ' 47' ' ' TYR . 7.9 ptp180 -97.27 128.2 43.91 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.523 -0.471 . . . . 75.450000000000003 110.387 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -107.82 116.44 31.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.731 -0.668 . . . . 74.209999999999994 110.698 -178.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -107.25 131.8 53.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.718 -0.674 . . . . 75.310000000000002 109.515 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 70' ' ' GLU . 91.0 m-85 -107.38 174.28 5.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.695 0.283 . . . . 64.129999999999995 110.871 -176.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.34 -39.79 24.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.298 -0.41 . . . . 75.230000000000004 110.801 -174.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.435 ' CG2' ' HG3' ' A' ' 70' ' ' GLU . 33.0 m -122.61 156.47 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 35.200000000000003 110.393 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.3 m -64.47 -25.87 68.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.986 -0.552 . . . . 70.010000000000005 111.744 -174.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.8 88.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.862 -0.608 . . . . 54.049999999999997 111.125 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 55.0 mt-10 -63.91 -31.27 72.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.065 0.459 . . . . 42.32 110.551 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.605 ' HD3' ' HB2' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -66.33 -46.73 75.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.723 -0.671 . . . . 71.329999999999998 110.553 178.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.53 -37.7 84.71 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.118 -0.492 . . . . 75.510000000000005 110.819 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.417 ' O ' ' HD3' ' A' ' 77' ' ' LYS . 83.2 mt -64.83 -47.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.836 -0.62 . . . . 71.299999999999997 110.732 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -62.76 -42.03 99.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.532 -0.304 . . . . 61.350000000000001 110.519 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 79' ' ' ARG . 56.8 mm-40 -53.2 -53.34 52.06 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.347 0.594 . . . . 60.130000000000003 110.109 174.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.91 -41.07 95.89 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.531 -0.759 . . . . 50.149999999999999 111.986 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.53 ' HG2' HD21 ' A' ' 37' ' ' LEU . 5.6 mptp? -63.56 -50.82 68.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.978 -0.555 . . . . 73.519999999999996 111.33 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.3 p -64.22 -38.05 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.657 -0.247 . . . . 75.329999999999998 111.619 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 95.1 mtt180 -59.94 -43.15 95.16 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.207 0.527 . . . . 74.019999999999996 111.006 177.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -78.7 -16.39 57.32 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.883 -0.599 . . . . 74.349999999999994 111.394 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD22 HD12 ' A' ' 37' ' ' LEU . 11.4 tp -86.84 -41.05 14.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.222 0.534 . . . . 74.329999999999998 109.884 178.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.48 79.9 2.01 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.549 -0.75 . . . . 63.119999999999997 109.146 179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -58.99 106.77 0.45 Allowed 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.156 -0.929 . . . . 72.409999999999997 111.715 -175.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.57 59.17 4.18 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.885 -1.052 . . . . 65.310000000000002 110.025 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -68.68 145.44 53.87 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.939 -1.028 . . . . 72.310000000000002 110.108 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -139.04 101.11 4.2 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.716 -0.675 . . . . 72.200000000000003 110.062 -177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -94.27 77.89 3.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.32 0.581 . . . . 73.019999999999996 110.416 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -89.98 55.31 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.333 -0.988 . . . . 71.239999999999995 108.333 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.3 m170 65.75 -85.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.139 -0.937 . . . . 61.399999999999999 110.439 -170.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -166.04 120.98 1.2 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.935 0.398 . . . . 63.210000000000001 110.841 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.253 -0.879 . . . . 74.420000000000002 109.183 175.502 . . . . . . . . 0 0 . 1 stop_ save_