data_6tdn_residue ############################ # Computer software used # ############################ 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 6tdn _Structure_validation_residue.Date_analyzed 2020-08-07 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 ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.98 -53.13 51.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.968 1.307 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -68.4 -27.42 66.2 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.69 -53.49 21.95 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.805 0.73 . . . . 0.0 112.237 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.4 -30.94 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.613 1.565 . . . . 0.0 113.07 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -70.67 -18.54 62.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.407 1.083 . . . . 0.0 113.7 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.63 -43.27 2.95 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.806 1.193 . . . . 0.0 114.85 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.51 160.16 32.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.85 172.16 7.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.443 1.097 . . . . 0.0 113.789 -171.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -59.71 -29.93 68.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -66.18 -33.04 74.87 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -75.39 -32.97 60.97 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 0.0 111.453 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.24 -46.55 73.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.815 0.846 . . . . 0.0 110.889 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.28 72.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.681 0.793 . . . . 0.0 112.77 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.82 -17.87 64.94 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.6 -25.75 7.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.6 -37.15 56.93 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.152 0.887 . . . . 0.0 112.426 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.43 -124.06 33.79 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.618 1.104 . . . . 0.0 113.768 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -60.21 -31.48 70.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.438 1.095 . . . . 0.0 112.923 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -80.34 1.71 27.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.909 1.284 . . . . 0.0 114.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.17 146.01 49.09 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.003 -1.06 . . . . 0.0 111.196 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 123.651 0.78 . . . . 0.0 112.883 -171.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -77.7 -45.2 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.35 1.46 . . . . 0.0 112.281 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.78 -45.21 68.52 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.882 0.873 . . . . 0.0 112.202 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.35 -40.0 89.53 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.016 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -65.52 -50.76 64.03 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.921 1.289 . . . . 0.0 111.328 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.95 -37.03 85.42 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.63 -0.669 . . . . 0.0 112.003 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 t -62.37 -45.37 93.47 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.024 0.929 . . . . 0.0 112.586 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -61.85 -55.59 28.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.769 0.713 . . . . 0.0 110.971 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.45 -38.08 68.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -59.88 -27.16 66.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -99.56 -5.39 29.24 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.41 153.76 33.32 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 112.405 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -66.87 155.48 38.25 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 110.902 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -58.16 -36.27 72.77 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 120.726 -1.234 . . . . 0.0 112.095 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -61.18 -41.41 96.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.545 0.612 . . . . 0.0 112.13 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.09 -42.66 80.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.578 1.151 . . . . 0.0 112.226 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.42 -42.96 93.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.192 0.997 . . . . 0.0 112.817 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.84 -42.79 94.64 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.38 72.76 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.38 -37.6 88.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.723 1.147 . . . . 0.0 111.375 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.69 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.153 0.981 . . . . 0.0 112.109 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.82 -44.91 94.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.446 1.098 . . . . 0.0 111.125 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.55 -47.19 87.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.934 0.894 . . . . 0.0 112.935 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.22 -22.51 61.25 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -73.65 -39.61 64.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.777 1.231 . . . . 0.0 112.012 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.48 -36.39 83.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.868 0.867 . . . . 0.0 112.689 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.642 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.76 -45.07 94.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.588 0.755 . . . . 0.0 110.588 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.3 m -62.81 -30.66 71.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.093 0.957 . . . . 0.0 112.927 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -69.5 -49.33 55.64 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.943 0.897 . . . . 0.0 111.916 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.06 -33.93 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.431 1.093 . . . . 0.0 112.407 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.58 -22.67 66.13 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.301 1.041 . . . . 0.0 113.713 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.06 -38.11 5.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.736 1.16 . . . . 0.0 114.957 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.37 174.74 9.85 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.298 1.439 . . . . 0.0 113.564 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 176.39 7.87 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -61.1 -25.04 66.69 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.58 -33.77 76.7 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.553 1.141 . . . . 0.0 112.22 171.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.85 -38.87 31.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.906 1.283 . . . . 0.0 111.821 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.83 -47.94 76.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.407 0.683 . . . . 0.0 111.932 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.02 71.16 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.815 0.734 . . . . 0.0 112.723 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.27 62.71 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.09 -29.57 7.55 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.53 -36.03 52.8 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.374 1.07 . . . . 0.0 112.281 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.75 -121.48 26.0 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.492 1.044 . . . . 0.0 113.095 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -58.25 -38.78 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.372 1.069 . . . . 0.0 112.581 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.84 3.82 21.29 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.67 148.7 37.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.484 -0.76 . . . . 0.0 111.269 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.256 1.022 . . . . 0.0 112.319 -172.505 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -70.75 -37.35 73.43 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.319 1.047 . . . . 0.0 112.063 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -74.66 -40.24 61.57 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.199 0.999 . . . . 0.0 112.153 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -62.94 -49.3 75.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.012 0.925 . . . . 0.0 111.067 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.61 -52.05 29.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.889 0.876 . . . . 0.0 112.934 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.0 -28.2 68.05 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 42.1 t -60.82 -45.69 93.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.749 0.82 . . . . 0.0 112.139 172.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -63.77 -46.85 83.39 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.092 0.957 . . . . 0.0 110.81 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.88 -38.11 75.18 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.252 1.021 . . . . 0.0 112.465 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.2 t -71.1 -40.24 71.63 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.495 1.118 . . . . 0.0 112.947 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -64.33 -38.41 90.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.912 1.285 . . . . 0.0 113.142 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 151.22 41.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.401 1.48 . . . . 0.0 114.327 -173.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.6 t -68.29 160.54 29.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.853 1.661 . . . . 0.0 112.201 170.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.89 -36.43 70.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.406 1.082 . . . . 0.0 112.511 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -61.99 -42.98 99.74 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.797 -0.564 . . . . 0.0 112.139 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -70.54 -36.24 73.58 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.008 0.923 . . . . 0.0 112.649 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.14 -41.38 96.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.433 1.093 . . . . 0.0 111.978 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.95 -42.55 97.28 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.12 81.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -35.84 79.49 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.446 -0.784 . . . . 0.0 112.059 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.41 91.64 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.674 0.789 . . . . 0.0 112.064 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.46 -44.83 89.85 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.695 0.798 . . . . 0.0 110.629 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -56.72 -52.66 64.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.298 1.039 . . . . 0.0 112.943 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.3 -27.13 67.68 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.936 0.789 . . . . 0.0 112.984 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.01 -38.21 57.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.582 1.153 . . . . 0.0 112.474 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.69 -38.85 73.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.852 0.861 . . . . 0.0 112.503 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 179.71 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.25 -26.1 67.2 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.656 0.782 . . . . 0.0 112.647 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.0 t -85.44 -44.33 12.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.438 1.095 . . . . 0.0 111.671 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -64.55 -47.63 78.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.477 1.111 . . . . 0.0 113.013 -176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -67.96 -24.17 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.464 1.506 . . . . 0.0 112.307 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.0 -23.66 33.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.149 0.98 . . . . 0.0 113.526 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 -37.05 25.82 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.565 1.079 . . . . 0.0 114.169 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.72 177.26 6.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.113 1.365 . . . . 0.0 113.35 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.93 176.31 7.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.698 1.199 . . . . 0.0 113.82 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.68 -28.66 67.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.142 1.377 . . . . 0.0 114.266 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.02 -37.22 86.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.425 -0.797 . . . . 0.0 112.176 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -73.62 -38.06 65.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.093 0.957 . . . . 0.0 111.664 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.03 -48.16 83.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.286 0.634 . . . . 0.0 111.083 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.94 77.27 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.921 0.782 . . . . 0.0 112.903 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.92 89.13 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.49 -30.44 18.26 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.137 0.975 . . . . 0.0 112.657 171.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 -124.11 34.22 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.904 0.764 . . . . 0.0 112.504 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -57.87 -33.72 68.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.073 0.949 . . . . 0.0 112.646 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.09 2.13 18.9 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.25 139.75 56.66 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.06 -1.025 . . . . 0.0 111.19 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 124.215 1.006 . . . . 0.0 113.038 -170.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -84.75 -39.1 18.86 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.994 1.717 . . . . 0.0 112.309 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -73.23 -48.35 35.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.144 1.778 . . . . 0.0 113.019 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -72.91 -29.27 63.01 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.374 -0.828 . . . . 0.0 112.817 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.9 -52.62 18.94 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.87 1.668 . . . . 0.0 111.189 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.53 -35.67 80.15 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.532 -0.73 . . . . 0.0 112.368 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.1 t -61.34 -33.9 74.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.41 1.084 . . . . 0.0 113.227 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.08 -47.84 26.81 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.85 -1.156 . . . . 0.0 112.072 171.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.04 -29.75 69.91 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -69.84 -27.68 65.06 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.864 1.211 . . . . 0.0 113.313 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -87.44 -36.82 17.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.53 1.532 . . . . 0.0 113.518 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.0 151.12 43.72 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.899 1.28 . . . . 0.0 111.988 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 p -73.27 165.69 24.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.95 0.9 . . . . 0.0 113.368 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.43 -37.41 65.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.287 1.435 . . . . 0.0 112.795 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -70.98 -44.8 65.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.636 0.774 . . . . 0.0 112.449 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.05 -38.75 91.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.157 0.983 . . . . 0.0 111.856 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.39 -44.73 92.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.4 mtm -62.24 -43.35 99.02 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.672 0.669 . . . . 0.0 112.037 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.94 70.86 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.68 -40.25 95.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.114 0.87 . . . . 0.0 111.099 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.92 87.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.464 1.106 . . . . 0.0 112.401 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.94 -46.71 89.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.789 0.722 . . . . 0.0 110.952 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.42 -49.83 76.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.469 0.708 . . . . 0.0 112.623 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.59 -24.54 61.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -74.76 -38.32 62.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.734 1.213 . . . . 0.0 112.477 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -66.82 -36.47 82.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.453 1.101 . . . . 0.0 112.867 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 178.526 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 111.281 0.104 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.03 -42.99 93.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.136 0.975 . . . . 0.0 111.6 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -62.03 -41.68 98.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.147 0.979 . . . . 0.0 112.018 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.87 -48.07 67.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.748 0.819 . . . . 0.0 112.362 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.56 -29.61 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.699 1.2 . . . . 0.0 113.041 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.78 -22.26 46.62 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.87 -36.3 11.68 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.714 1.149 . . . . 0.0 114.218 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -75.4 176.19 7.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 0.0 113.51 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.09 174.37 8.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.956 1.302 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.44 -29.08 67.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.98 -34.82 79.34 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.252 1.021 . . . . 0.0 112.885 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.98 -36.8 62.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.052 0.941 . . . . 0.0 111.904 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.42 -47.88 84.16 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.019 0.528 . . . . 0.0 110.678 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.87 75.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.7 66.68 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -28.23 10.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.7 -38.96 37.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.851 1.26 . . . . 0.0 112.483 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.13 -120.41 22.52 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.059 1.314 . . . . 0.0 113.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.52 -29.95 69.44 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.256 1.022 . . . . 0.0 113.288 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -88.93 5.25 44.94 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.8 149.95 29.65 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.044 -1.035 . . . . 0.0 111.838 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.0 tp . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 123.273 0.629 . . . . 0.0 112.376 -172.571 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -63.43 -52.59 60.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.811 1.244 . . . . 0.0 110.887 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.73 -43.8 98.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.528 1.131 . . . . 0.0 112.524 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -65.48 -48.56 72.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.536 0.734 . . . . 0.0 112.473 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.69 -45.22 79.53 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.409 0.684 . . . . 0.0 111.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.47 -39.21 88.67 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.699 -0.626 . . . . 0.0 112.2 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 44.3 t -63.87 -44.58 92.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.548 0.739 . . . . 0.0 112.385 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -60.17 -45.93 91.42 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.449 -0.782 . . . . 0.0 111.958 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.94 -19.13 63.39 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 44.6 t -71.16 -41.86 69.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.313 -1.492 . . . . 0.0 112.054 166.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -78.16 -36.15 48.0 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.31 153.68 40.43 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.1 0.96 . . . . 0.0 112.933 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 29.7 t -67.34 154.74 40.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.814 1.246 . . . . 0.0 112.201 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -56.09 -35.13 66.68 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.786 -1.196 . . . . 0.0 112.13 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.81 -38.52 89.2 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.31 -0.869 . . . . 0.0 112.844 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.49 -40.11 77.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.16 -43.75 92.09 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.245 1.418 . . . . 0.0 112.082 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 66.3 mtm -60.02 -46.26 90.07 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.312 0.645 . . . . 0.0 111.56 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.61 67.83 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.33 -38.82 91.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.527 1.058 . . . . 0.0 111.461 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.13 89.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.665 1.186 . . . . 0.0 112.363 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -47.7 68.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.871 0.868 . . . . 0.0 110.863 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -62.25 -46.12 90.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 0.0 112.705 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.83 -28.17 68.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.07 0.85 . . . . 0.0 112.953 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -75.94 -36.14 59.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.168 1.387 . . . . 0.0 112.581 172.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -71.73 -39.59 69.99 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.351 1.06 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.88 -40.17 96.69 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.544 -1.348 . . . . 0.0 111.285 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -69.48 -33.25 72.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.948 0.899 . . . . 0.0 112.847 174.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -69.31 -47.6 64.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.782 0.833 . . . . 0.0 111.821 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -66.01 -31.18 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.164 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -68.95 -29.32 67.53 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.194 0.998 . . . . 0.0 113.513 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -31.28 10.86 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.56 178.33 4.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.217 1.407 . . . . 0.0 114.309 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 169.75 9.5 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.613 1.165 . . . . 0.0 112.882 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.52 -26.74 67.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -173.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.66 -34.34 77.62 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.238 1.015 . . . . 0.0 112.095 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.72 -34.7 62.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.444 1.097 . . . . 0.0 112.275 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.55 -49.48 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.33 72.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.98 65.34 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.1 -27.29 7.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.97 -39.25 66.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.202 0.91 . . . . 0.0 111.509 168.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.54 -121.97 26.44 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.91 1.243 . . . . 0.0 113.077 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.92 -26.14 65.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.04 1.336 . . . . 0.0 113.742 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -93.24 3.69 55.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.145 1.378 . . . . 0.0 114.374 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -57.12 145.14 32.09 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.961 -1.087 . . . . 0.0 112.552 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -168.634 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -85.8 -44.72 12.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.347 1.459 . . . . 0.0 113.278 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.43 -41.94 99.08 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.503 0.721 . . . . 0.0 112.776 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -71.23 -54.01 12.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.843 0.457 . . . . 0.0 110.771 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.17 -45.02 94.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.48 -34.67 75.86 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.309 -0.869 . . . . 0.0 111.664 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -72.11 -40.78 67.9 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.782 0.833 . . . . 0.0 112.163 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -56.45 -49.82 73.5 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.875 1.216 . . . . 0.0 111.153 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.48 -34.93 78.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.099 0.56 . . . . 0.0 111.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 t -67.65 -32.28 72.86 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -80.74 -26.97 36.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.03 1.332 . . . . 0.0 114.324 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.32 153.02 30.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.176 0.99 . . . . 0.0 112.745 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.1 t -67.16 157.96 32.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.473 1.509 . . . . 0.0 112.671 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -52.97 -36.56 60.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.089 1.356 . . . . 0.0 112.956 170.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -69.88 -42.62 73.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.189 0.596 . . . . 0.0 112.441 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.02 -37.62 88.21 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.212 1.005 . . . . 0.0 112.602 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.04 -45.2 93.63 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.631 1.572 . . . . 0.0 112.595 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 47.5 mtm -60.42 -43.32 96.85 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.875 -0.516 . . . . 0.0 111.818 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.64 -38.59 91.54 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.902 0.774 . . . . 0.0 111.351 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.78 83.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.625 0.77 . . . . 0.0 111.595 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.36 -42.72 96.06 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 0.0 111.285 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.31 -49.44 77.6 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.722 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.72 -26.03 65.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -72.54 -36.91 68.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.556 1.542 . . . . 0.0 112.845 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.57 -37.18 71.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.436 1.095 . . . . 0.0 112.709 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.77 -43.07 94.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.739 0.816 . . . . 0.0 112.212 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.5 m -70.11 -31.03 68.38 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.868 0.867 . . . . 0.0 112.805 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.44 -47.44 41.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.369 -0.832 . . . . 0.0 111.861 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.91 -26.51 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.445 1.498 . . . . 0.0 113.241 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -15.82 55.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 167.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -48.18 4.93 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.192 0.901 . . . . 0.0 113.515 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.45 156.43 35.27 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.038 1.335 . . . . 0.0 112.839 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 176.08 5.27 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.737 1.215 . . . . 0.0 113.614 -171.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -59.48 -30.64 68.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.8 -31.97 72.94 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.055 0.843 . . . . 0.0 113.168 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.59 -34.78 53.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.395 1.078 . . . . 0.0 111.518 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.74 -47.32 81.52 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.325 0.65 . . . . 0.0 110.863 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.23 71.01 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.922 0.783 . . . . 0.0 113.039 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.97 64.87 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.08 -28.83 8.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.96 -37.34 69.95 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.61 1.164 . . . . 0.0 112.032 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.51 25.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.622 1.106 . . . . 0.0 113.227 172.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.52 -23.5 66.99 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.556 1.143 . . . . 0.0 114.007 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.0 5.08 52.75 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.2 1.4 . . . . 0.0 114.279 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.03 149.13 37.88 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.401 -0.812 . . . . 0.0 112.34 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.477 0.897 0 O-C-N 121.448 -0.783 . . . . 0.0 112.421 -174.334 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -81.81 -63.08 1.46 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.513 1.925 . . . . 0.0 110.781 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.16 -42.44 93.73 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.71 -33.6 72.73 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.902 -1.124 . . . . 0.0 112.293 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -72.74 -52.3 15.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.009 0.924 . . . . 0.0 110.852 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.35 -39.88 94.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.886 0.874 . . . . 0.0 112.752 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 9.7 t -67.94 -41.73 82.06 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.753 0.706 . . . . 0.0 112.06 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -61.89 -42.22 98.82 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.069 0.849 . . . . 0.0 111.99 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.02 -28.29 69.48 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 t -73.17 -39.48 65.6 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.66 1.118 . . . . 0.0 112.615 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -72.89 -33.94 66.35 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.688 1.595 . . . . 0.0 113.815 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.84 151.81 44.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.791 1.636 . . . . 0.0 112.278 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.0 t -78.21 156.59 29.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.501 1.12 . . . . 0.0 111.263 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.54 -37.86 65.9 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.743 -1.223 . . . . 0.0 112.78 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.53 -40.99 89.01 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.361 173.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.58 -37.29 79.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 112.136 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.6 -38.88 92.54 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -59.67 -46.53 88.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.282 0.946 . . . . 0.0 111.124 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.99 66.56 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.96 -39.2 93.6 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.164 0.893 . . . . 0.0 111.865 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.71 -42.26 77.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.922 0.889 . . . . 0.0 112.535 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.47 -45.5 93.99 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.216 -0.927 . . . . 0.0 110.693 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -60.82 -48.1 83.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.734 0.814 . . . . 0.0 112.862 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.89 -25.98 64.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.324 0.966 . . . . 0.0 112.658 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -75.08 -33.71 61.69 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.987 1.315 . . . . 0.0 112.889 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.96 -38.32 69.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.089 0.956 . . . . 0.0 112.469 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.82 -47.11 87.86 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.805 1.184 . . . . 0.0 110.712 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 m -65.83 -34.75 78.86 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 112.658 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -68.32 -47.38 67.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.711 0.804 . . . . 0.0 112.016 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.82 -29.87 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.603 1.161 . . . . 0.0 112.559 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.55 -20.15 57.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.34 -29.34 14.65 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.734 1.159 . . . . 0.0 115.373 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.91 -177.92 4.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.53 1.532 . . . . 0.0 114.138 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.39 171.42 12.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.725 1.21 . . . . 0.0 113.112 175.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -59.75 -27.69 66.72 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -171.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.53 -33.98 77.17 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.907 0.883 . . . . 0.0 112.272 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.12 -38.05 72.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.296 1.038 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.49 -46.83 78.2 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.765 0.826 . . . . 0.0 111.307 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -33.5 70.84 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.71 63.81 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.54 -27.19 8.68 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mp -78.37 -38.36 42.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.497 1.119 . . . . 0.0 112.067 171.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.42 -125.51 39.75 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.785 1.183 . . . . 0.0 113.427 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -59.51 -24.32 63.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.292 1.437 . . . . 0.0 113.498 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -92.53 9.86 32.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.118 1.367 . . . . 0.0 114.144 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -61.32 140.84 57.92 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.819 -1.175 . . . . 0.0 111.293 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.476 0.852 0 O-C-N 121.378 -0.826 . . . . 0.0 113.214 -172.198 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -78.18 -42.54 31.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.829 1.652 . . . . 0.0 112.694 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -71.51 -47.94 52.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.22 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.27 -22.84 64.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 112.881 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -82.53 -56.29 3.96 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.989 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.7 -34.57 78.17 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.1 p -64.75 -34.84 79.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.584 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -72.98 -48.89 32.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.397 1.079 . . . . 0.0 110.663 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.32 -41.6 69.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.388 0.675 . . . . 0.0 112.24 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -67.7 -36.99 81.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -86.27 -25.18 25.66 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.98 153.55 40.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.73 1.212 . . . . 0.0 111.956 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -62.89 158.02 20.1 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.626 1.17 . . . . 0.0 111.912 171.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.161 -0.962 . . . . 0.0 111.918 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -64.97 -42.65 94.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.943 0.897 . . . . 0.0 112.327 171.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.7 -37.96 79.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.207 1.003 . . . . 0.0 111.979 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.47 -43.17 97.2 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 111.968 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.6 mtm -62.78 -42.72 99.82 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.97 68.81 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.57 -39.79 94.38 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.591 1.087 . . . . 0.0 112.017 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.4 83.64 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.336 1.054 . . . . 0.0 112.371 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -46.63 67.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.625 -0.672 . . . . 0.0 111.304 174.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.37 -47.8 84.51 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.64 -28.88 69.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.874 0.761 . . . . 0.0 112.959 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.31 -41.57 63.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.176 0.99 . . . . 0.0 111.697 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.72 -37.97 79.86 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.191 0.997 . . . . 0.0 112.075 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 178.763 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.29 -50.83 71.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.772 1.169 . . . . 0.0 111.443 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 78.2 p -70.48 -28.51 65.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.674 0.79 . . . . 0.0 112.972 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.35 -54.86 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.008 0.923 . . . . 0.0 111.52 173.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -61.39 -34.03 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.582 1.553 . . . . 0.0 112.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -70.61 -21.86 62.6 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.38 -39.99 5.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.952 1.263 . . . . 0.0 114.7 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.4 176.09 10.01 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.533 1.133 . . . . 0.0 113.953 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 173.66 6.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.231 1.412 . . . . 0.0 113.567 -171.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.76 -30.28 67.4 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.004 1.321 . . . . 0.0 114.312 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -65.31 -35.96 82.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.476 0.71 . . . . 0.0 112.044 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.98 -30.42 50.18 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.054 0.942 . . . . 0.0 112.434 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.02 -47.97 72.68 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.319 0.648 . . . . 0.0 110.64 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.63 -29.8 69.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.15 -17.94 65.07 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.49 -25.56 5.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.49 -34.28 67.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.927 0.891 . . . . 0.0 112.326 168.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.98 -140.6 45.74 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.928 1.251 . . . . 0.0 113.095 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -64.05 -16.72 62.32 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.147 0.979 . . . . 0.0 113.476 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.09 -0.02 38.12 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.286 1.434 . . . . 0.0 113.654 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -56.22 143.49 33.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.787 -1.196 . . . . 0.0 112.835 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -167.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -80.17 -42.32 23.62 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.161 1.784 . . . . 0.0 112.387 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -70.69 -42.96 70.0 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.483 1.113 . . . . 0.0 112.543 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -64.19 -35.23 80.1 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.408 0.683 . . . . 0.0 112.359 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.9 -53.05 16.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.364 1.466 . . . . 0.0 111.952 174.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 63.1 tp -58.59 -37.0 74.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.262 1.025 . . . . 0.0 112.699 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 57.8 m -64.29 -20.8 66.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -86.17 -47.69 9.25 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.39 0.995 . . . . 0.0 111.237 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.13 -28.41 69.09 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.8 p -68.36 -27.87 66.63 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.409 1.004 . . . . 0.0 113.519 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.83 -34.04 17.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.261 1.824 . . . . 0.0 113.97 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.79 156.85 26.03 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.951 1.301 . . . . 0.0 112.358 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.9 t -68.55 156.79 37.36 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.677 1.191 . . . . 0.0 111.583 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -61.56 -34.02 74.86 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.922 -1.111 . . . . 0.0 112.008 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -63.27 -42.12 99.08 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.482 -0.761 . . . . 0.0 112.436 172.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.67 -39.03 90.9 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.682 0.793 . . . . 0.0 111.643 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.68 -45.1 95.44 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.962 0.905 . . . . 0.0 113.052 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -56.7 -48.33 77.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.175 0.898 . . . . 0.0 111.451 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.99 65.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.93 -36.87 84.54 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.061 0.846 . . . . 0.0 111.64 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.82 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.7 0.8 . . . . 0.0 111.71 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.86 -44.24 97.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.331 -0.855 . . . . 0.0 111.128 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -60.5 -50.21 74.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.141 0.976 . . . . 0.0 112.902 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.92 -26.41 65.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -75.31 -33.24 61.15 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.855 1.262 . . . . 0.0 112.424 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.64 -42.08 71.32 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.63 1.172 . . . . 0.0 112.302 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -177.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.52 -43.11 91.05 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.572 1.149 . . . . 0.0 111.109 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.9 t -64.35 -38.24 90.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.983 0.513 . . . . 0.0 112.326 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.19 -45.97 75.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.529 -0.732 . . . . 0.0 112.545 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.67 -26.6 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.771 1.228 . . . . 0.0 113.223 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -84.49 -21.45 30.61 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.858 -1.151 . . . . 0.0 113.921 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.39 -27.91 28.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.707 1.146 . . . . 0.0 115.303 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.66 179.84 3.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.103 1.761 . . . . 0.0 114.042 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.63 168.68 11.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.362 1.465 . . . . 0.0 112.418 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -60.81 -23.16 64.85 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.06 -32.84 74.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.491 1.116 . . . . 0.0 112.431 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -74.37 -33.75 63.16 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.419 1.088 . . . . 0.0 112.111 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.06 -47.02 78.82 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.078 0.551 . . . . 0.0 110.644 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.79 70.94 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.618 -0.676 . . . . 0.0 112.739 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.16 64.16 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.91 -27.54 5.37 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.81 -34.77 62.43 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.524 1.13 . . . . 0.0 111.77 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 -128.27 46.58 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.72 1.152 . . . . 0.0 113.103 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.19 -19.14 62.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.558 1.143 . . . . 0.0 113.907 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -94.36 8.53 41.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.192 1.397 . . . . 0.0 114.275 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.65 149.09 36.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.388 -0.82 . . . . 0.0 110.98 167.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.221 0.608 . . . . 0.0 112.351 -172.336 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.13 -51.85 6.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.844 1.658 . . . . 0.0 111.184 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -64.55 -53.7 43.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.391 1.476 . . . . 0.0 112.719 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.55 -45.16 88.31 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.282 0.633 . . . . 0.0 111.959 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.81 -54.06 47.41 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.143 0.577 . . . . 0.0 111.763 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.92 -38.39 88.24 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.683 -0.636 . . . . 0.0 112.234 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -58.02 -58.42 8.48 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.403 0.681 . . . . 0.0 111.23 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -65.32 -36.59 84.51 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.84 -31.69 65.02 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.957 0.799 . . . . 0.0 112.545 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 t -71.38 -24.74 62.13 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -82.27 -30.53 30.6 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.8 1.24 . . . . 0.0 112.608 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.0 156.54 38.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.822 1.249 . . . . 0.0 112.922 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 160.4 31.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.656 1.182 . . . . 0.0 112.572 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.43 -37.11 79.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.188 -0.945 . . . . 0.0 112.249 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -64.91 -41.05 95.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 111.691 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.86 -40.28 87.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.944 0.898 . . . . 0.0 112.253 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.77 -45.45 89.78 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.686 1.194 . . . . 0.0 112.079 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.93 -40.24 97.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.705 0.684 . . . . 0.0 112.419 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.35 63.81 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.68 -38.05 89.69 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.11 -0.994 . . . . 0.0 110.799 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.07 85.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.916 0.886 . . . . 0.0 112.608 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 -45.49 77.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.767 0.827 . . . . 0.0 111.328 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -60.73 -45.17 95.27 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.245 -0.909 . . . . 0.0 112.494 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.38 -22.67 61.1 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -74.23 -32.3 62.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.587 1.085 . . . . 0.0 112.732 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.64 -32.18 62.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.205 1.002 . . . . 0.0 112.796 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.259 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.93 -46.03 92.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.396 1.078 . . . . 0.0 111.29 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.3 m -72.48 -29.97 64.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.008 0.923 . . . . 0.0 113.226 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.97 -45.51 85.38 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.241 -0.912 . . . . 0.0 112.144 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.71 -30.73 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.462 1.505 . . . . 0.0 112.783 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -74.47 -27.99 60.82 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 169.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.68 -42.53 31.8 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 123.635 0.636 . . . . 0.0 113.663 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.69 164.53 25.2 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.986 1.315 . . . . 0.0 113.249 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.3 177.72 4.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.469 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -58.88 -30.97 68.16 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.1 -33.84 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.627 0.771 . . . . 0.0 112.132 174.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -75.88 -38.16 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.842 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.64 -48.47 81.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.172 0.589 . . . . 0.0 110.931 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.99 -34.88 76.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.7 71.78 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.86 -28.86 39.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.14 -61.24 2.01 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.12 0.873 . . . . 0.0 111.749 169.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.5 110.2 0.04 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.04 1.305 . . . . 0.0 113.996 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 62.21 -38.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 129.307 3.043 . . . . 0.0 116.688 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.09 -3.54 45.87 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.782 1.633 . . . . 0.0 114.052 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.93 146.67 13.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.71 0.804 . . . . 0.0 110.221 161.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -168.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -74.24 -47.06 37.61 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.683 1.993 . . . . 0.0 111.466 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.18 -49.75 70.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.83 1.252 . . . . 0.0 112.219 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -62.88 -45.89 90.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.058 0.943 . . . . 0.0 111.832 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.7 -54.66 39.63 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.396 1.078 . . . . 0.0 111.572 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.58 -36.73 81.51 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.339 -0.851 . . . . 0.0 112.622 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.4 t -62.11 -48.62 79.34 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.23 1.012 . . . . 0.0 111.66 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.78 -41.68 95.65 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.352 -0.843 . . . . 0.0 111.877 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.47 -28.93 68.72 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 11.2 p -72.47 -28.95 63.23 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.496 1.043 . . . . 0.0 113.366 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -74.71 -42.12 58.94 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.496 1.519 . . . . 0.0 112.655 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.86 140.47 58.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.178 0.991 . . . . 0.0 111.607 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 31.6 t -72.65 164.42 26.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.737 1.615 . . . . 0.0 112.897 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -52.35 -42.57 64.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.552 -1.343 . . . . 0.0 113.1 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.77 -37.26 86.69 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.179 0.992 . . . . 0.0 112.25 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.43 -38.0 71.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.62 1.168 . . . . 0.0 112.204 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.0 -40.41 89.13 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.808 0.843 . . . . 0.0 112.046 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.5 mtm -66.12 -43.96 85.65 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.895 -0.503 . . . . 0.0 111.781 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.26 76.8 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.19 -39.88 94.91 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.373 -0.83 . . . . 0.0 111.06 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.97 85.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.279 1.032 . . . . 0.0 111.771 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.11 -45.13 94.83 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.786 0.834 . . . . 0.0 111.599 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.57 -52.16 66.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.151 0.98 . . . . 0.0 112.303 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -24.89 63.26 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -74.1 -39.01 63.68 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.748 1.619 . . . . 0.0 111.982 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.73 -39.51 73.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.379 1.072 . . . . 0.0 112.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.513 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.0 -43.54 95.14 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.999 1.272 . . . . 0.0 111.094 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -66.2 -38.64 88.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.625 0.77 . . . . 0.0 112.293 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -66.05 -48.81 69.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.877 0.871 . . . . 0.0 112.085 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.6 mm -69.9 -31.34 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.935 1.294 . . . . 0.0 112.254 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -69.67 -26.35 64.34 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.075 -1.016 . . . . 0.0 113.692 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.47 -29.33 16.92 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.03 -177.93 4.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.193 1.797 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.47 172.47 11.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.53 1.532 . . . . 0.0 113.535 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.41 -27.85 67.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -65.81 -32.14 73.5 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.255 -0.903 . . . . 0.0 112.366 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -73.79 -32.91 64.0 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.613 1.165 . . . . 0.0 111.981 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.66 -46.13 66.81 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.654 0.782 . . . . 0.0 111.505 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.71 70.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.538 -0.726 . . . . 0.0 112.958 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -16.85 64.58 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.04 -28.02 5.22 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.43 -37.96 71.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 111.876 170.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.86 -122.5 28.93 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.574 1.083 . . . . 0.0 113.728 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.13 -27.0 65.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.187 1.395 . . . . 0.0 113.415 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -92.94 7.14 45.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.879 1.671 . . . . 0.0 114.084 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 149.33 40.16 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.543 -1.348 . . . . 0.0 112.459 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 123.983 0.913 . . . . 0.0 113.076 -173.881 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.89 0.376 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.83 -49.56 72.33 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.333 1.853 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -64.41 -42.97 95.78 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.854 0.862 . . . . 0.0 112.672 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -51.55 68.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.299 1.04 . . . . 0.0 111.142 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -65.18 -48.36 73.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.419 -0.8 . . . . 0.0 112.1 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -66.54 -32.27 73.51 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.27 -0.894 . . . . 0.0 112.734 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -62.41 -50.31 72.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.361 0.664 . . . . 0.0 111.52 171.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -58.14 -47.67 82.59 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.553 -0.717 . . . . 0.0 111.725 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.75 -19.7 64.35 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -74.76 -41.57 59.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.327 -1.483 . . . . 0.0 112.007 166.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -76.5 -38.34 55.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.755 1.622 . . . . 0.0 114.621 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.63 157.73 33.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.473 1.509 . . . . 0.0 112.691 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.041 1.336 . . . . 0.0 111.7 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -53.72 -35.72 61.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.86 -1.15 . . . . 0.0 112.119 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.43 -39.27 93.5 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.813 0.845 . . . . 0.0 112.211 175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.76 -40.55 79.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.036 0.934 . . . . 0.0 111.931 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.1 -40.95 95.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.154 0.888 . . . . 0.0 112.461 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 53.0 mtm -59.86 -44.97 93.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.902 0.774 . . . . 0.0 112.045 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.76 64.96 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.97 -36.92 85.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.669 1.122 . . . . 0.0 111.188 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.94 88.21 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.793 0.837 . . . . 0.0 111.55 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -45.9 91.8 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.53 -47.02 85.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.782 0.833 . . . . 0.0 113.123 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.73 -28.49 67.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.15 0.886 . . . . 0.0 112.383 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -74.52 -31.51 62.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.53 1.132 . . . . 0.0 113.099 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -74.5 -39.04 62.67 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.515 1.126 . . . . 0.0 112.312 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 N--CA 1.47 0.551 0 O-C-N 121.423 -0.798 . . . . 0.0 113.131 -178.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.8 -38.99 83.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.561 0.744 . . . . 0.0 111.905 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.2 m -63.11 -28.78 70.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -78.3 -48.38 15.8 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.26 -0.9 . . . . 0.0 111.275 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.2 mm -66.14 -31.34 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.981 1.312 . . . . 0.0 113.017 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.63 -21.93 57.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.672 1.189 . . . . 0.0 113.423 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.73 -38.7 9.3 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.532 1.063 . . . . 0.0 114.399 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -75.13 176.08 7.63 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.487 1.515 . . . . 0.0 113.494 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 178.15 7.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.251 1.02 . . . . 0.0 113.373 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -58.92 -29.39 67.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.688 1.195 . . . . 0.0 114.158 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.02 -34.27 78.03 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.588 -0.695 . . . . 0.0 112.586 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -77.13 -39.44 49.34 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.765 1.226 . . . . 0.0 111.481 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.31 -47.46 85.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.832 0.853 . . . . 0.0 110.916 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.5 77.84 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.7 79.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.412 0.685 . . . . 0.0 112.605 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.27 -29.73 28.18 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.52 -41.05 40.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.398 1.079 . . . . 0.0 111.861 171.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.8 -128.9 41.14 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.883 0.754 . . . . 0.0 113.164 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -8.81 19.0 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -101.07 10.34 41.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.693 1.597 . . . . 0.0 113.324 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.43 151.76 23.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.81 1.244 . . . . 0.0 112.781 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 tp . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 113.345 -169.55 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.11 -36.45 81.95 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.177 1.391 . . . . 0.0 112.542 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -73.17 -49.6 27.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.334 1.054 . . . . 0.0 111.293 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.05 -21.08 63.2 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -80.53 -58.08 3.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.926 0.89 . . . . 0.0 111.196 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.37 -39.27 92.62 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 88.8 p -65.77 -29.47 69.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -74.24 -46.7 39.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.87 -1.144 . . . . 0.0 111.724 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.22 -30.23 70.31 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.7 p -71.32 -27.56 63.47 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -91.22 -29.69 17.07 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.859 1.664 . . . . 0.0 113.624 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.32 151.05 47.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.277 1.431 . . . . 0.0 111.985 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 54.1 p -73.1 167.72 20.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.118 0.967 . . . . 0.0 113.185 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -56.44 -39.2 72.72 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.698 1.199 . . . . 0.0 112.305 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -68.32 -41.52 80.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.756 1.223 . . . . 0.0 113.115 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.22 -37.53 83.75 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.009 0.822 . . . . 0.0 112.222 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.35 -40.21 95.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.701 1.2 . . . . 0.0 112.277 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 37.1 mtm -59.86 -50.76 72.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.46 0.573 . . . . 0.0 111.55 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.24 87.0 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.43 -40.56 95.98 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.56 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.85 85.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.08 0.952 . . . . 0.0 111.865 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -48.24 78.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.937 0.895 . . . . 0.0 110.733 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.9 -49.31 78.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.927 0.891 . . . . 0.0 112.79 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.33 -25.61 64.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.738 0.699 . . . . 0.0 112.609 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -77.22 -40.0 46.55 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.907 0.883 . . . . 0.0 112.266 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.28 -34.94 79.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.879 0.871 . . . . 0.0 112.666 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.46 79.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.24 0.616 . . . . 0.0 111.101 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -63.92 -35.9 82.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.226 1.011 . . . . 0.0 112.69 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.49 -48.87 63.31 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.936 0.895 . . . . 0.0 111.629 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.1 mm -65.16 -32.16 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.689 1.196 . . . . 0.0 112.549 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.76 -30.18 67.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.72 -31.28 15.93 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.56 179.2 6.1 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.792 1.237 . . . . 0.0 114.294 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.19 168.21 12.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.731 1.612 . . . . 0.0 112.69 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -167.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -64.2 -31.61 72.87 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.21 -0.931 . . . . 0.0 112.722 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.87 -25.72 40.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.513 1.125 . . . . 0.0 112.347 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.39 -49.76 52.34 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.704 0.802 . . . . 0.0 110.067 167.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.46 -29.69 66.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.037 0.935 . . . . 0.0 113.443 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.27 65.24 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.38 -26.19 5.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -72.59 -36.38 68.14 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.238 1.015 . . . . 0.0 112.196 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.5 -129.4 49.55 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.702 1.144 . . . . 0.0 113.281 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.01 -35.74 73.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 112.542 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -77.09 5.05 8.86 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 113.375 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.75 137.92 57.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.215 -0.928 . . . . 0.0 111.261 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 123.9 0.88 . . . . 0.0 112.888 -169.692 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.34 -42.13 75.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.954 1.302 . . . . 0.0 111.766 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.34 -42.62 79.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.049 0.94 . . . . 0.0 111.518 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.63 -38.22 80.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.774 1.229 . . . . 0.0 112.311 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -74.01 -55.69 5.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.202 1.001 . . . . 0.0 111.924 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.54 -33.27 75.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.393 1.077 . . . . 0.0 113.76 -171.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 m -63.09 -31.17 72.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.527 -0.733 . . . . 0.0 112.719 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -72.56 -49.12 34.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.153 0.981 . . . . 0.0 110.51 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.54 -36.93 79.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.625 0.77 . . . . 0.0 112.478 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.5 p -67.97 -26.57 66.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.355 0.979 . . . . 0.0 113.448 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -86.44 -33.97 20.26 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.799 1.64 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 153.53 39.86 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.481 1.112 . . . . 0.0 111.571 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 t -76.04 160.6 29.65 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.194 0.998 . . . . 0.0 111.703 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -56.53 -40.25 74.75 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.843 -1.16 . . . . 0.0 112.353 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -60.77 -39.58 89.35 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.55 -0.719 . . . . 0.0 112.566 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.63 -38.92 80.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.181 0.993 . . . . 0.0 111.972 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.3 -47.19 87.07 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.496 0.718 . . . . 0.0 111.82 173.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mtp -60.21 -38.17 82.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.39 -44.52 44.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.36 -39.72 92.66 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.81 1.187 . . . . 0.0 111.512 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.27 83.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.31 1.044 . . . . 0.0 112.558 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.34 -49.98 61.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.249 1.02 . . . . 0.0 110.89 173.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.69 -46.64 86.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.645 0.778 . . . . 0.0 112.896 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.06 -27.99 66.99 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.82 -33.38 57.97 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.507 1.049 . . . . 0.0 112.212 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.67 -34.75 58.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.394 1.077 . . . . 0.0 112.418 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.711 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -34.25 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.516 1.126 . . . . 0.0 112.631 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.8 t -66.6 -34.13 77.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 0.0 112.201 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.56 -43.56 66.14 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.485 -0.759 . . . . 0.0 111.851 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.72 -33.7 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.31 1.044 . . . . 0.0 112.74 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.773 0.829 . . . . 0.0 113.219 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.64 -31.59 8.68 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.149 1.22 . . . . 0.0 116.149 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.56 171.97 10.44 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.41 167.86 9.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.081 1.353 . . . . 0.0 113.009 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -63.01 -23.56 67.51 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.28 -32.56 74.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.98 0.809 . . . . 0.0 112.421 169.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.17 -32.42 56.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.217 1.007 . . . . 0.0 112.032 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.65 -51.88 65.5 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.168 0.587 . . . . 0.0 110.373 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.34 70.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.705 0.802 . . . . 0.0 113.057 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.75 66.62 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.86 -25.85 8.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.16 -36.22 64.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.449 1.1 . . . . 0.0 112.144 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.7 51.57 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.168 0.889 . . . . 0.0 113.268 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -16.85 63.99 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -83.17 1.57 39.87 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 169.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -53.71 140.59 29.03 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.94 -1.1 . . . . 0.0 111.393 172.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -165.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -65.68 -39.97 91.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.138 1.375 . . . . 0.0 112.44 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.68 -41.73 59.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.435 1.094 . . . . 0.0 112.421 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.6 -42.74 98.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.59 1.156 . . . . 0.0 111.425 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.61 -49.74 69.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.78 1.232 . . . . 0.0 112.151 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 67.3 tp -60.03 -41.42 92.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.106 0.963 . . . . 0.0 112.848 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 63.5 m -63.03 -43.23 99.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.343 0.657 . . . . 0.0 112.014 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -62.52 -50.83 69.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.321 1.048 . . . . 0.0 111.698 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.1 -35.43 78.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.618 0.767 . . . . 0.0 112.334 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.6 t -63.24 -35.5 80.53 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.588 0.755 . . . . 0.0 112.891 172.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -84.78 -32.67 23.26 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 154.23 25.13 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.325 1.45 . . . . 0.0 113.48 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.4 t -61.35 154.73 23.19 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.55 1.14 . . . . 0.0 111.916 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.01 -30.17 70.14 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.981 -1.075 . . . . 0.0 111.817 170.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.76 -40.22 76.24 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.677 0.791 . . . . 0.0 112.911 171.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.251 1.02 . . . . 0.0 111.9 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.97 -39.49 78.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.919 1.288 . . . . 0.0 112.165 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.07 -42.76 79.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.175 0.59 . . . . 0.0 112.584 171.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.19 69.8 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.42 -38.84 92.42 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.486 1.039 . . . . 0.0 111.212 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.82 86.82 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.163 0.985 . . . . 0.0 111.854 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.54 70.61 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.752 0.821 . . . . 0.0 110.715 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.43 -45.18 95.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.852 0.861 . . . . 0.0 113.053 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.98 -29.33 68.33 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.284 0.947 . . . . 0.0 113.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -76.51 -33.62 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.266 1.026 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.02 -36.75 78.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.453 1.101 . . . . 0.0 112.77 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.81 -47.88 84.36 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.106 1.321 . . . . 0.0 110.479 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 m -65.8 -33.5 76.01 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.127 0.971 . . . . 0.0 112.535 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.39 -47.57 63.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.783 -0.573 . . . . 0.0 112.455 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -67.21 -27.39 39.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 124.983 1.313 . . . . 0.0 112.395 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.3 -43.54 85.97 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.952 -1.092 . . . . 0.0 112.446 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.55 -24.76 35.04 Favored Glycine 0 CA--C 1.537 1.412 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -168.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.57 -179.91 1.88 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.066 1.346 . . . . 0.0 113.866 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.3 171.59 9.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.72 1.208 . . . . 0.0 112.842 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -60.05 -25.72 65.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -65.26 -33.95 77.19 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.38 1.072 . . . . 0.0 112.328 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -73.82 -39.66 63.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.545 1.138 . . . . 0.0 111.762 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.36 -45.94 92.3 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.363 0.665 . . . . 0.0 111.054 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.44 73.98 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.22 78.48 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.243 0.929 . . . . 0.0 113.14 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.49 -30.76 14.86 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.87 -35.48 43.75 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.25 1.02 . . . . 0.0 111.765 170.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.67 -127.79 37.13 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.009 0.814 . . . . 0.0 112.933 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -57.56 -27.01 62.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.511 1.525 . . . . 0.0 113.477 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -95.38 5.56 51.32 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.338 1.455 . . . . 0.0 114.044 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.42 137.83 58.09 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.995 -1.066 . . . . 0.0 111.861 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 123.212 0.605 . . . . 0.0 111.417 -176.446 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.418 ' CZ2' ' HE2' ' A' ' 57' ' ' LYS . 42.3 p-90 . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.418 ' HE2' ' CZ2' ' A' ' 56' ' ' TRP . 14.8 ptpt -84.76 -45.93 11.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.095 1.358 . . . . 0.0 112.358 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.74 -49.06 50.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.414 1.086 . . . . 0.0 112.477 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.64 -27.93 64.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.265 0.626 . . . . 0.0 112.256 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -74.0 -55.37 6.23 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.518 1.127 . . . . 0.0 111.184 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.98 -34.39 77.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.233 0.613 . . . . 0.0 112.239 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.92 0.888 . . . . 0.0 112.298 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.85 -42.81 94.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.062 -1.024 . . . . 0.0 112.109 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.2 -28.8 69.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.7 0.682 . . . . 0.0 112.385 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 p -71.94 -28.94 63.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.549 1.068 . . . . 0.0 113.795 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.09 -44.88 52.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.664 1.186 . . . . 0.0 112.44 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 148.41 51.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.027 1.331 . . . . 0.0 112.739 -172.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -72.97 169.8 16.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.481 1.113 . . . . 0.0 113.66 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -47.94 -51.4 23.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.872 1.669 . . . . 0.0 112.364 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.71 -39.81 88.21 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.388 1.075 . . . . 0.0 111.985 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.83 -40.11 87.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.452 0.701 . . . . 0.0 112.661 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.93 -45.44 92.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.526 1.13 . . . . 0.0 112.092 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 mtp -62.72 -40.24 96.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.026 0.53 . . . . 0.0 112.42 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.26 61.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.22 -38.08 89.29 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.182 -0.949 . . . . 0.0 111.387 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.09 92.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.208 1.003 . . . . 0.0 112.11 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.86 -47.28 84.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.145 0.578 . . . . 0.0 111.371 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -60.83 -45.84 92.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.005 0.922 . . . . 0.0 113.106 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.97 -25.94 62.94 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.112 0.869 . . . . 0.0 113.311 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -71.15 -37.03 72.25 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.242 0.928 . . . . 0.0 112.359 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.79 -38.0 82.76 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.468 1.107 . . . . 0.0 112.878 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 123.607 0.763 . . . . 0.0 112.729 177.622 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.63 -56.16 3.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.218 1.007 . . . . 0.0 111.378 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.5 p -69.35 -27.47 65.37 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.69 -43.78 71.77 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.076 -1.015 . . . . 0.0 111.492 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.64 -31.19 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.105 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.76 -28.78 66.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 170.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -87.27 -32.38 14.11 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.483 1.04 . . . . 0.0 115.646 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.05 -179.05 4.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.784 1.634 . . . . 0.0 113.732 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.65 175.8 8.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.022 1.329 . . . . 0.0 113.089 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -61.16 -25.51 67.06 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -65.95 -34.52 78.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.087 0.955 . . . . 0.0 112.168 172.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -75.89 -37.93 58.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.256 1.022 . . . . 0.0 111.863 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -47.01 85.45 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.64 -0.662 . . . . 0.0 111.517 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.84 76.69 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.06 68.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -29.44 11.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.7 -38.84 58.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.315 1.046 . . . . 0.0 111.923 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.74 -124.82 37.41 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.165 0.888 . . . . 0.0 112.816 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.03 -26.43 66.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.919 1.288 . . . . 0.0 113.658 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -87.82 1.95 52.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.812 1.245 . . . . 0.0 113.863 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.74 146.02 43.01 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.277 -0.889 . . . . 0.0 112.6 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.7 tp . . . . . 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 112.483 -172.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.82 -39.55 63.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.751 1.22 . . . . 0.0 112.123 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.95 -51.71 68.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.785 1.234 . . . . 0.0 111.942 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.85 -50.91 64.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.536 0.734 . . . . 0.0 111.417 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -59.45 -48.52 81.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.551 0.74 . . . . 0.0 112.439 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.289 -0.882 . . . . 0.0 112.415 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 49.5 m -69.42 -19.54 63.8 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -79.16 -53.23 7.19 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.194 1.398 . . . . 0.0 110.533 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.66 -26.83 68.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.283 1.033 . . . . 0.0 113.242 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 84.8 p -65.3 -28.46 69.33 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.648 -1.283 . . . . 0.0 113.195 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -80.92 -42.99 20.49 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.884 1.273 . . . . 0.0 113.688 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.47 148.21 52.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.654 1.581 . . . . 0.0 112.405 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 57.0 p -69.59 162.38 27.71 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.373 1.069 . . . . 0.0 112.781 175.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.15 -35.83 65.15 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.209 -0.932 . . . . 0.0 112.917 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -66.06 -44.67 83.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.052 0.941 . . . . 0.0 111.865 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.25 -38.36 87.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.786 0.834 . . . . 0.0 112.843 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.43 -44.32 95.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 111.691 174.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 62.5 mtm -61.38 -43.46 98.83 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 170.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.34 68.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.3 -40.57 97.71 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.335 0.97 . . . . 0.0 111.824 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.76 93.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.578 1.151 . . . . 0.0 112.84 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.99 -46.53 71.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.727 . . . . 0.0 110.784 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -58.96 -49.93 76.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.737 0.815 . . . . 0.0 112.534 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.56 -27.25 66.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.95 -43.37 54.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.087 0.955 . . . . 0.0 112.037 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.53 -38.21 88.98 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.841 0.856 . . . . 0.0 112.012 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.62 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.14 -44.67 91.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.231 1.012 . . . . 0.0 111.152 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 p -65.13 -31.75 73.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.7 -53.07 9.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.617 1.167 . . . . 0.0 112.007 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.57 -32.75 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.159 1.384 . . . . 0.0 113.375 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.11 -19.88 61.73 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.036 -1.04 . . . . 0.0 113.539 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.4 -28.28 20.22 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.864 1.221 . . . . 0.0 115.083 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.99 175.05 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.742 1.617 . . . . 0.0 113.777 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.42 175.23 8.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 113.512 -169.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -55.66 -32.06 62.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 114.322 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.95 -37.36 86.76 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.568 1.147 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.07 -39.04 42.93 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.893 1.277 . . . . 0.0 111.987 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.03 -46.69 88.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.57 0.748 . . . . 0.0 111.625 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.47 78.06 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.78 77.96 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -29.76 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.2 -53.55 9.59 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.05 0.841 . . . . 0.0 111.757 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.62 100.68 0.06 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.297 1.427 . . . . 0.0 114.039 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 62.5 -35.63 0.12 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 128.667 2.787 . . . . 0.0 117.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.05 -2.78 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.907 1.683 . . . . 0.0 113.787 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -58.76 152.6 18.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.155 2.182 . . . . 0.0 112.982 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.475 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.376 -173.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -86.06 -42.14 14.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.52 -49.43 73.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.387 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -68.34 -42.52 79.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.318 0.647 . . . . 0.0 112.271 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 -46.31 83.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.194 0.998 . . . . 0.0 112.029 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -40.96 98.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.657 0.783 . . . . 0.0 112.086 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.3 t -60.56 -45.02 95.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 0.0 112.404 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -64.32 -51.84 61.46 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.519 1.528 . . . . 0.0 111.112 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.95 -28.39 69.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.945 0.898 . . . . 0.0 113.113 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -65.27 -30.26 71.12 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.059 -1.026 . . . . 0.0 113.223 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -93.81 -21.19 19.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.49 151.57 42.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.253 1.021 . . . . 0.0 111.688 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 t -66.7 160.18 26.19 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.228 1.011 . . . . 0.0 112.673 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -57.44 -36.8 71.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.672 -1.267 . . . . 0.0 112.4 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -63.86 -42.48 97.52 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.472 -0.767 . . . . 0.0 112.678 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.67 -40.63 88.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.231 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.62 -48.57 79.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.946 1.298 . . . . 0.0 111.757 174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.9 mtm -62.62 -40.52 97.24 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -46.05 63.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.97 -38.47 91.19 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.312 0.96 . . . . 0.0 111.175 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.53 -48.32 78.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.375 1.07 . . . . 0.0 111.806 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.96 -45.12 95.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.405 -0.809 . . . . 0.0 111.262 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.71 -47.91 83.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.471 0.708 . . . . 0.0 112.806 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.44 -26.26 64.51 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.954 0.797 . . . . 0.0 112.652 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -74.32 -32.16 62.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.766 1.226 . . . . 0.0 112.878 172.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.37 -38.55 65.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.409 1.084 . . . . 0.0 113.017 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -178.384 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.46 -49.46 66.57 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.939 0.896 . . . . 0.0 110.991 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -67.71 -29.87 69.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.97 0.908 . . . . 0.0 112.829 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.52 -52.93 48.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.579 1.152 . . . . 0.0 111.911 171.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.52 -30.02 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.84 -24.24 61.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.545 1.138 . . . . 0.0 113.476 171.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -14.97 67.77 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.566 1.079 . . . . 0.0 115.371 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.4 175.52 5.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.734 2.014 . . . . 0.0 112.936 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.31 178.51 6.2 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.632 1.173 . . . . 0.0 113.514 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -58.18 -29.49 65.67 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.22 -35.06 79.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.31 1.044 . . . . 0.0 112.385 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.04 -33.22 51.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.7 1.2 . . . . 0.0 112.287 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.01 -46.75 73.56 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.291 0.636 . . . . 0.0 111.105 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.34 67.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.186 0.994 . . . . 0.0 113.051 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.93 -16.83 64.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.39 -26.07 5.08 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.26 -35.29 63.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.672 1.189 . . . . 0.0 112.228 170.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.72 -126.02 40.99 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.344 0.973 . . . . 0.0 113.211 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.66 -22.6 65.44 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.08 1.352 . . . . 0.0 113.723 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -89.86 3.32 53.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.018 1.327 . . . . 0.0 113.73 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.33 141.34 58.8 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.177 -0.952 . . . . 0.0 111.592 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 tp . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.778 0.831 . . . . 0.0 112.602 -172.649 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -64.08 -50.44 68.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.598 1.959 . . . . 0.0 112.148 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -64.15 -45.42 88.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.234 1.014 . . . . 0.0 111.557 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.16 -49.8 74.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.679 0.792 . . . . 0.0 111.953 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.8 -52.69 63.18 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.13 0.972 . . . . 0.0 111.571 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.59 -39.21 93.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.014 0.824 . . . . 0.0 112.497 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 19.2 t -67.01 -35.89 80.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.529 0.604 . . . . 0.0 112.612 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.06 -50.09 62.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.238 0.926 . . . . 0.0 111.39 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.1 -34.02 67.91 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 51.9 p -67.3 -29.93 69.65 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.349 0.977 . . . . 0.0 113.606 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -78.6 -32.56 47.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.674 1.59 . . . . 0.0 112.617 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.05 147.11 53.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.025 1.33 . . . . 0.0 112.647 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.7 t -64.35 159.55 20.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.868 1.267 . . . . 0.0 112.025 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -43.26 -49.94 6.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.733 1.613 . . . . 0.0 111.578 165.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.03 -36.59 83.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.766 1.226 . . . . 0.0 112.126 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.53 -37.56 74.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.589 1.155 . . . . 0.0 112.555 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.28 -40.69 97.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.678 1.191 . . . . 0.0 112.046 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.99 -42.13 97.3 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.862 0.755 . . . . 0.0 112.172 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.9 68.84 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.3 -38.71 91.05 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.401 1.001 . . . . 0.0 111.764 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.18 91.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.251 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.48 -48.18 82.89 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.968 0.907 . . . . 0.0 110.933 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.61 -45.23 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.13 -23.82 64.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.674 1.125 . . . . 0.0 112.987 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.4 -39.39 47.34 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.28 -34.92 78.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.008 0.923 . . . . 0.0 112.793 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 178.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.65 -36.85 79.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.587 1.085 . . . . 0.0 111.893 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 t -74.68 -40.27 61.5 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.995 0.918 . . . . 0.0 112.296 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.03 -44.7 95.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.057 0.943 . . . . 0.0 112.792 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 mm -66.82 -27.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 0.0 113.022 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.99 -27.64 57.52 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.764 -1.21 . . . . 0.0 113.494 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.33 -34.88 24.89 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.472 1.034 . . . . 0.0 115.042 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.65 179.36 4.79 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.742 1.617 . . . . 0.0 113.422 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 173.88 9.67 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.676 1.19 . . . . 0.0 113.106 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.71 -29.16 64.48 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -172.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -66.64 -31.3 71.89 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.804 0.842 . . . . 0.0 112.645 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -78.35 -34.25 48.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.58 1.152 . . . . 0.0 112.029 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.95 -49.19 77.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.226 0.61 . . . . 0.0 110.394 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.39 70.17 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.02 -17.47 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.08 -25.96 5.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.4 -35.51 65.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.281 1.032 . . . . 0.0 111.398 166.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.33 -129.16 47.1 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.572 1.082 . . . . 0.0 112.913 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -59.97 -25.02 64.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.059 1.344 . . . . 0.0 113.505 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -86.22 1.04 52.26 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.145 1.378 . . . . 0.0 114.296 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.55 141.98 55.93 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.224 -0.923 . . . . 0.0 111.619 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.802 0.841 . . . . 0.0 112.056 -171.361 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -68.23 -41.11 81.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.448 1.099 . . . . 0.0 112.996 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.41 -43.34 73.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.451 0.7 . . . . 0.0 111.796 172.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.41 -39.85 95.62 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.498 1.119 . . . . 0.0 112.493 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -72.4 -54.6 8.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.587 1.155 . . . . 0.0 112.288 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.3 tp -64.33 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 t -58.14 -45.76 86.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.758 0.823 . . . . 0.0 112.445 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -63.86 -42.98 97.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.382 -0.823 . . . . 0.0 111.685 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.84 -25.96 67.45 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -74.26 -35.51 63.79 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.206 -0.934 . . . . 0.0 113.147 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -73.29 -38.57 65.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.158 1.383 . . . . 0.0 114.571 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.84 157.41 37.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.01 1.324 . . . . 0.0 113.804 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -65.8 158.13 28.54 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.679 1.592 . . . . 0.0 112.818 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -59.17 -36.56 75.52 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.983 -1.073 . . . . 0.0 113.026 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.43 -40.23 93.08 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.456 -0.778 . . . . 0.0 112.224 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.78 -37.33 81.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.909 0.883 . . . . 0.0 112.597 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.01 -44.72 97.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.453 1.101 . . . . 0.0 112.109 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 54.3 mtm -59.57 -43.51 93.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.323 0.511 . . . . 0.0 112.088 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.86 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.34 -38.21 90.25 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.459 1.027 . . . . 0.0 111.332 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.25 86.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.627 1.171 . . . . 0.0 112.093 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.3 -43.72 93.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.217 -0.927 . . . . 0.0 111.368 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -59.25 -51.08 71.52 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.945 0.898 . . . . 0.0 112.723 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.84 -26.75 66.2 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.012 0.824 . . . . 0.0 112.988 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.62 -35.09 58.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.678 1.191 . . . . 0.0 112.841 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -73.19 -35.16 66.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.056 0.942 . . . . 0.0 113.058 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.093 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -47.86 84.49 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.102 0.961 . . . . 0.0 110.67 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.2 m -62.44 -30.77 71.47 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -75.01 -53.83 8.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.832 0.853 . . . . 0.0 111.874 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.4 mm -65.76 -30.88 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.727 1.611 . . . . 0.0 113.043 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.83 -22.86 55.86 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.45 -36.8 13.33 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.915 1.245 . . . . 0.0 114.362 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.62 -178.14 6.6 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.891 1.276 . . . . 0.0 113.208 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.93 177.86 7.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.873 1.669 . . . . 0.0 112.679 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -56.01 -28.39 57.09 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.865 1.666 . . . . 0.0 114.434 -175.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -62.07 -38.49 88.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.121 0.968 . . . . 0.0 112.414 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -82.13 -34.49 29.17 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.1 0.96 . . . . 0.0 112.719 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.98 -47.93 84.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.21 0.459 . . . . 0.0 111.249 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.13 77.18 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.348 -0.845 . . . . 0.0 112.992 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.9 88.19 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.96 -29.33 16.69 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.99 -37.52 58.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.209 1.004 . . . . 0.0 112.403 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.44 -128.22 45.15 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.065 0.84 . . . . 0.0 112.848 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -62.13 -19.35 62.92 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.67 -3.93 58.17 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -58.09 143.74 42.58 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.84 0.856 . . . . 0.0 111.899 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 124.461 1.105 . . . . 0.0 113.672 -167.502 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -73.34 -38.78 65.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 112.133 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.38 -47.67 47.57 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.106 0.962 . . . . 0.0 111.332 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.77 -36.85 82.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.824 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -73.32 -57.58 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.022 0.929 . . . . 0.0 111.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.49 -32.33 73.87 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.384 -0.823 . . . . 0.0 112.97 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.7 t -65.05 -24.41 67.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.779 1.232 . . . . 0.0 113.611 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -83.88 -47.86 10.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.308 1.043 . . . . 0.0 111.241 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.53 -20.3 66.14 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 96.4 p -75.69 -28.58 58.7 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.891 -1.13 . . . . 0.0 113.844 168.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.53 -41.14 11.56 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.526 1.53 . . . . 0.0 114.422 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.79 152.69 35.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.157 1.383 . . . . 0.0 112.588 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -75.54 153.54 37.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.109 0.964 . . . . 0.0 110.72 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -55.68 -31.49 62.44 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.676 -1.265 . . . . 0.0 113.601 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.89 -41.75 97.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.71 1.204 . . . . 0.0 112.176 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.63 -41.35 84.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.653 1.181 . . . . 0.0 112.021 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.49 -42.13 91.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.518 0.727 . . . . 0.0 111.926 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 28.0 mtm -61.7 -46.43 89.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.573 0.749 . . . . 0.0 112.002 170.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.54 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.99 -39.0 93.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.9 0.773 . . . . 0.0 111.27 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.57 83.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.176 0.991 . . . . 0.0 112.194 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.71 -45.55 92.22 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.176 -0.952 . . . . 0.0 111.319 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.02 -48.44 80.3 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.47 -27.26 66.0 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.129 0.877 . . . . 0.0 113.011 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.36 -39.87 71.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.975 1.31 . . . . 0.0 112.039 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.12 -38.94 82.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.693 0.797 . . . . 0.0 112.474 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.546 0.792 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.808 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.62 -34.14 72.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.236 1.414 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -60.34 -36.18 77.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.23 1.012 . . . . 0.0 112.639 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -77.99 -48.2 16.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.503 0.721 . . . . 0.0 111.64 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -32.58 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.555 1.142 . . . . 0.0 112.783 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -75.6 -19.33 59.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.343 1.057 . . . . 0.0 113.812 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.67 -34.03 9.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.571 1.082 . . . . 0.0 114.722 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.98 -176.25 6.04 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.39 1.476 . . . . 0.0 113.941 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.85 176.15 8.94 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.675 1.59 . . . . 0.0 113.039 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -59.72 -26.4 65.59 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.76 -34.33 77.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.388 0.995 . . . . 0.0 112.841 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -81.18 -28.49 34.96 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.373 1.069 . . . . 0.0 112.947 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.52 -47.33 64.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.006 0.923 . . . . 0.0 110.88 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.5 67.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.752 0.821 . . . . 0.0 112.99 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -17.47 64.64 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.95 -26.46 5.17 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.66 -36.89 70.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.314 1.046 . . . . 0.0 112.296 170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.41 -126.03 41.09 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.407 1.003 . . . . 0.0 113.274 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -61.35 -31.91 71.79 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.64 10.37 11.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.591 1.157 . . . . 0.0 112.882 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.58 144.38 43.04 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.613 -0.68 . . . . 0.0 111.855 168.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 124.409 1.084 . . . . 0.0 112.448 -172.273 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.66 -42.61 50.8 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 112.758 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.47 -52.99 61.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.387 0.675 . . . . 0.0 112.448 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.65 -38.91 67.52 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.362 -0.836 . . . . 0.0 112.522 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.62 -44.2 82.66 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.887 -0.508 . . . . 0.0 111.877 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.6 tp -65.4 -36.3 83.54 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.404 -0.81 . . . . 0.0 111.849 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.2 t -63.97 -36.29 83.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.791 0.836 . . . . 0.0 112.8 171.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -61.5 -55.48 30.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.931 -1.105 . . . . 0.0 111.284 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.64 -21.6 65.36 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -77.39 -35.85 53.97 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.642 1.564 . . . . 0.0 113.343 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -85.88 -27.82 24.78 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.06 157.21 38.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.707 1.203 . . . . 0.0 112.495 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.76 154.5 31.9 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.662 1.185 . . . . 0.0 112.076 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -51.36 -37.49 48.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.841 -1.162 . . . . 0.0 113.148 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -66.34 -38.33 87.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.258 1.023 . . . . 0.0 112.912 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.42 -40.21 85.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.496 1.118 . . . . 0.0 111.589 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.03 -39.32 85.51 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.951 0.796 . . . . 0.0 112.291 172.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.4 mtm -64.35 -43.75 93.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.674 0.67 . . . . 0.0 112.079 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.25 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -62.94 -37.87 88.79 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.994 0.816 . . . . 0.0 111.467 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.17 78.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.825 0.85 . . . . 0.0 111.966 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -44.73 83.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.722 0.809 . . . . 0.0 110.973 175.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -58.43 -52.01 67.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.024 0.93 . . . . 0.0 112.751 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.19 -25.7 65.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -73.02 -38.18 66.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.792 1.237 . . . . 0.0 112.315 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.68 -37.25 70.75 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.151 0.98 . . . . 0.0 112.436 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.888 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.05 -40.81 95.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.133 0.973 . . . . 0.0 111.541 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -70.68 -34.82 72.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.161 0.984 . . . . 0.0 112.864 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -72.24 -46.74 54.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.587 0.755 . . . . 0.0 112.544 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mm -65.96 -25.53 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 125.354 1.461 . . . . 0.0 112.584 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.13 -20.57 44.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 169.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.7 25.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.448 1.023 . . . . 0.0 113.939 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.32 178.51 8.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.822 1.649 . . . . 0.0 113.048 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.27 178.75 6.57 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.173 1.389 . . . . 0.0 112.98 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -58.76 -31.81 68.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.75 1.22 . . . . 0.0 114.167 -171.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.84 -33.35 75.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.984 0.914 . . . . 0.0 112.459 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.33 -38.1 51.12 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.272 1.029 . . . . 0.0 111.686 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.91 -50.12 75.23 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.426 0.69 . . . . 0.0 110.798 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -34.07 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.893 0.769 . . . . 0.0 112.968 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.45 79.13 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.42 -31.33 33.21 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.4 -41.53 76.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.197 0.908 . . . . 0.0 111.537 167.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.44 81.2 0.57 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 124.699 1.142 . . . . 0.0 112.437 169.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 61.43 -17.38 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.796 2.439 . . . . 0.0 115.791 -166.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.91 6.31 5.31 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.594 1.558 . . . . 0.0 114.801 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.57 146.02 21.63 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.52 1.128 . . . . 0.0 112.106 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -173.637 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -73.76 -48.4 31.99 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.046 1.339 . . . . 0.0 111.017 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.6 -55.57 19.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -69.74 -20.43 63.51 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -167.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -79.93 -54.52 5.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.182 0.993 . . . . 0.0 111.538 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.39 -35.97 80.85 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.958 0.903 . . . . 0.0 112.511 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 35.1 t -62.61 -25.76 68.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.837 1.655 . . . . 0.0 113.527 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -84.6 -47.88 10.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.394 -0.816 . . . . 0.0 111.778 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.93 -22.93 66.02 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.3 p -70.28 -18.21 63.11 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -123.54 -17.06 6.59 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.22 144.81 56.85 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.646 0.657 . . . . 0.0 109.954 160.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.8 t -64.29 155.01 33.45 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.964 0.906 . . . . 0.0 112.625 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.02 -35.96 62.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.123 -0.985 . . . . 0.0 111.844 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.78 -38.08 89.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.855 0.862 . . . . 0.0 113.095 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.71 -38.8 73.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.587 0.755 . . . . 0.0 112.211 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.5 -40.89 98.19 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.819 1.19 . . . . 0.0 112.032 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.8 mtm -57.87 -43.83 86.26 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.578 0.626 . . . . 0.0 111.983 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.1 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.61 -41.21 98.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.424 1.011 . . . . 0.0 111.947 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.44 -34.75 74.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.037 0.935 . . . . 0.0 112.603 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.08 -47.82 48.62 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.75 0.82 . . . . 0.0 110.565 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.11 -42.14 98.93 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.718 1.207 . . . . 0.0 112.387 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.88 -25.81 65.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.69 -38.23 47.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.356 1.062 . . . . 0.0 112.499 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -68.73 -32.56 72.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.535 0.734 . . . . 0.0 112.72 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.39 -43.82 93.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.336 1.054 . . . . 0.0 111.445 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.1 t -64.25 -35.76 81.87 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.714 0.806 . . . . 0.0 112.203 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.1 -50.75 60.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.247 -0.908 . . . . 0.0 112.215 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.74 -29.87 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.038 1.335 . . . . 0.0 113.299 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -27.99 67.91 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.223 -0.923 . . . . 0.0 113.405 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 -39.61 4.96 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.018 1.294 . . . . 0.0 115.963 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.52 162.07 28.63 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.619 1.21 . . . . 0.0 114.123 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.04 171.32 8.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.393 1.077 . . . . 0.0 113.415 -173.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.55 -29.01 69.74 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.099 -1.001 . . . . 0.0 113.543 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.08 -33.23 75.05 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.407 -0.808 . . . . 0.0 112.457 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.83 -30.16 61.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.938 0.895 . . . . 0.0 111.996 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.84 -48.69 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.555 0.742 . . . . 0.0 111.111 168.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.68 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.74 0.816 . . . . 0.0 112.733 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.16 64.43 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.23 -25.49 5.25 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -76.52 -36.04 57.95 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.267 0.939 . . . . 0.0 112.36 171.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.69 -126.8 42.57 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.083 1.325 . . . . 0.0 113.324 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.74 40.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.64 -5.5 57.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.98 145.84 49.12 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.005 0.922 . . . . 0.0 111.319 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp . . . . . 0 CA--C 1.545 0.753 0 O-C-N 121.525 -0.734 . . . . 0.0 112.5 -174.442 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.16 -50.76 7.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.718 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -66.37 -44.88 81.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.992 0.917 . . . . 0.0 113.308 -172.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.08 -46.61 80.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.197 0.599 . . . . 0.0 111.176 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.14 -48.98 71.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.055 . . . . 0.0 112.744 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.31 -35.86 81.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.392 -0.817 . . . . 0.0 112.16 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -68.28 -40.61 81.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.714 0.805 . . . . 0.0 112.286 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.62 -46.78 88.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.154 0.982 . . . . 0.0 111.982 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -28.05 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.578 -0.701 . . . . 0.0 112.554 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -68.77 -37.15 79.14 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.816 0.846 . . . . 0.0 113.0 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -61.56 -51.48 68.38 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.516 -1.365 . . . . 0.0 113.091 170.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.0 150.8 48.01 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -164.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.2 t -66.4 160.12 25.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.064 1.745 . . . . 0.0 112.259 173.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -56.85 -35.19 68.57 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.057 -1.027 . . . . 0.0 112.551 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -66.62 -41.47 88.29 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.235 1.014 . . . . 0.0 111.989 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -69.51 -39.5 77.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.71 1.204 . . . . 0.0 111.836 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.33 -42.51 91.66 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.611 1.564 . . . . 0.0 112.476 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.8 mtm -61.37 -44.94 96.31 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 169.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.65 62.18 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -173.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.75 -36.24 82.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.066 -1.021 . . . . 0.0 112.18 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -41.27 76.98 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.075 0.95 . . . . 0.0 111.8 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -47.11 87.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.587 1.155 . . . . 0.0 110.733 172.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -59.48 -53.6 56.21 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.386 1.075 . . . . 0.0 113.822 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.18 -28.58 69.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.948 0.795 . . . . 0.0 113.128 -175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -76.53 -35.42 58.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.124 1.37 . . . . 0.0 112.353 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.85 -39.09 61.78 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.807 0.843 . . . . 0.0 112.442 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.524 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.548 1.067 . . . . 0.0 111.462 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 25.9 m -66.4 -31.9 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.76 0.824 . . . . 0.0 112.409 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.02 -47.07 69.45 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.497 0.719 . . . . 0.0 112.533 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.46 -31.34 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.23 1.412 . . . . 0.0 112.614 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -75.01 -23.41 58.23 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.76 -19.67 59.35 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.539 1.066 . . . . 0.0 115.389 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.18 178.21 4.67 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.418 1.887 . . . . 0.0 113.577 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 175.95 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.028 1.331 . . . . 0.0 113.559 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.38 -30.43 68.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.84 1.256 . . . . 0.0 114.002 -173.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.26 -33.07 74.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.878 0.871 . . . . 0.0 112.596 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -78.95 -29.97 44.28 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.541 1.137 . . . . 0.0 112.143 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.0 -46.44 74.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.43 0.692 . . . . 0.0 110.956 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.81 -29.71 68.42 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.36 63.77 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.25 -26.49 6.3 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.36 -32.53 64.56 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 111.755 168.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.83 -139.13 40.48 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.747 1.165 . . . . 0.0 112.421 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.13 58.99 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 175.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -84.97 2.31 43.55 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.229 . . . . 0.0 113.389 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.82 146.83 24.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.568 1.147 . . . . 0.0 112.04 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.1 tp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -167.305 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.64 -42.73 95.25 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.247 1.419 . . . . 0.0 112.319 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.65 -48.08 73.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.155 0.982 . . . . 0.0 111.745 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -72.83 -31.36 64.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -68.18 -48.9 64.04 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.73 0.812 . . . . 0.0 111.669 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.11 -35.68 75.77 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.568 -0.708 . . . . 0.0 112.163 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 14.2 t -57.13 -39.55 75.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.195 1.398 . . . . 0.0 112.618 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -64.46 -52.0 60.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.674 1.124 . . . . 0.0 111.38 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.56 -27.34 68.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.944 0.898 . . . . 0.0 113.283 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.7 p -67.31 -22.74 65.61 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -87.78 -34.16 18.39 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.239 1.416 . . . . 0.0 113.552 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.6 157.19 32.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.185 1.394 . . . . 0.0 113.618 -171.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 33.8 t -75.06 163.17 27.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.618 1.567 . . . . 0.0 112.211 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.88 -37.26 81.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.806 -1.184 . . . . 0.0 113.014 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -63.65 -41.24 98.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.188 0.995 . . . . 0.0 112.745 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.29 -39.68 82.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.018 0.927 . . . . 0.0 111.927 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.45 -41.87 97.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.011 1.324 . . . . 0.0 112.291 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 43.7 mtm -60.48 -50.04 75.14 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.698 0.681 . . . . 0.0 111.403 169.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.18 81.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -173.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -40.04 95.4 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 111.48 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.79 90.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.489 1.116 . . . . 0.0 112.138 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -46.13 89.3 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.077 0.951 . . . . 0.0 110.779 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.45 -51.98 67.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.463 0.705 . . . . 0.0 112.522 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.06 -27.43 66.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.36 -44.65 64.61 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.063 0.945 . . . . 0.0 112.203 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.86 -37.1 86.49 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.838 0.855 . . . . 0.0 112.449 -175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 178.262 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -42.12 99.59 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 112.858 -168.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -67.46 -28.96 68.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.98 -48.3 37.79 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.146 -0.971 . . . . 0.0 111.395 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.82 -33.16 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.031 1.332 . . . . 0.0 113.101 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -76.37 -23.33 54.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.917 0.887 . . . . 0.0 113.203 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.01 -32.65 12.14 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.881 1.229 . . . . 0.0 115.02 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.55 178.42 3.52 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.71 1.604 . . . . 0.0 113.667 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.22 172.9 9.16 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.89 1.276 . . . . 0.0 112.785 175.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -27.24 66.02 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.9 -33.86 76.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.836 0.855 . . . . 0.0 112.394 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.37 -35.56 61.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 112.031 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.52 -44.95 81.09 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.27 1.028 . . . . 0.0 111.413 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.0 69.56 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.94 -17.26 61.5 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.85 -28.67 5.88 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.56 -39.4 37.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.277 0.944 . . . . 0.0 111.899 170.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.07 -115.83 4.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.154 1.359 . . . . 0.0 113.482 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -54.3 -27.21 33.89 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.4 1.88 . . . . 0.0 113.926 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -104.16 16.43 26.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.862 1.265 . . . . 0.0 113.883 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.72 133.17 49.63 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.55 -1.344 . . . . 0.0 111.176 171.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp . . . . . 0 CA--C 1.551 1.004 0 C-N-CA 125.062 1.345 . . . . 0.0 112.974 -174.461 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -27.59 60.79 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -77.35 -52.19 9.58 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.402 1.081 . . . . 0.0 110.878 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.15 -24.71 66.71 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.736 1.214 . . . . 0.0 113.521 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -81.34 -59.38 2.66 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.275 -0.891 . . . . 0.0 111.948 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.76 -36.54 81.32 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.7 p -66.49 -21.04 66.18 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -84.79 -51.28 6.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.615 0.766 . . . . 0.0 110.547 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.08 -32.03 65.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.822 1.249 . . . . 0.0 113.349 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -67.98 -29.85 68.98 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -92.13 -16.74 25.9 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 150.07 48.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.039 0.836 . . . . 0.0 111.781 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -66.63 153.4 43.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.229 1.412 . . . . 0.0 111.24 174.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.51 -35.2 60.38 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 0.0 111.825 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -66.73 -48.86 67.84 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.49 0.716 . . . . 0.0 112.518 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.81 -42.09 99.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.367 1.067 . . . . 0.0 112.417 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.06 -35.07 79.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.911 1.684 . . . . 0.0 112.297 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.7 mtm -71.36 -40.3 70.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 167.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.15 86.22 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 -39.12 93.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.686 1.13 . . . . 0.0 111.959 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.84 86.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.946 1.298 . . . . 0.0 112.232 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.72 -47.65 77.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.195 0.998 . . . . 0.0 111.272 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -59.12 -50.02 75.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 0.0 112.454 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.69 -30.19 70.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.265 0.939 . . . . 0.0 112.986 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.67 -36.5 60.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.478 1.111 . . . . 0.0 112.88 172.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -67.9 -41.25 82.99 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.541 0.736 . . . . 0.0 111.838 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.684 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.5 -37.64 70.67 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.271 -0.893 . . . . 0.0 112.561 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -62.63 -39.22 93.14 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.609 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -71.78 -43.48 65.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.549 0.74 . . . . 0.0 112.149 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.7 -31.56 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.963 0.905 . . . . 0.0 112.449 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.54 -33.07 68.83 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.039 -1.038 . . . . 0.0 113.24 169.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.61 -26.42 32.65 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.63 179.83 3.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.463 1.505 . . . . 0.0 113.877 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 169.25 12.76 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.464 1.506 . . . . 0.0 112.377 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -60.48 -24.34 65.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -64.29 -32.76 74.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.181 0.992 . . . . 0.0 112.715 171.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -73.32 -36.34 66.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.838 1.255 . . . . 0.0 112.008 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.88 -47.45 71.82 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.842 0.857 . . . . 0.0 110.588 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.33 70.08 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.49 -17.65 64.22 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.17 -25.72 5.66 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.51 -36.64 57.63 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.715 1.206 . . . . 0.0 111.959 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.84 -126.36 42.38 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.592 1.091 . . . . 0.0 113.695 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -56.45 -30.6 63.08 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.364 1.466 . . . . 0.0 113.596 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.52 5.81 40.84 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.134 1.374 . . . . 0.0 114.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.86 133.09 55.76 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.042 -1.036 . . . . 0.0 111.283 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.922 . . . . 0.0 112.38 -174.406 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -33.27 72.65 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.957 0.903 . . . . 0.0 113.187 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 -48.28 43.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.047 0.939 . . . . 0.0 110.796 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.22 -31.12 71.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.173 0.989 . . . . 0.0 112.417 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -76.37 -58.19 3.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.507 0.723 . . . . 0.0 111.999 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.97 -35.92 81.05 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -173.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 29.5 t -66.04 -42.84 89.04 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.413 -0.805 . . . . 0.0 111.588 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -63.49 -44.34 94.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.641 0.655 . . . . 0.0 111.829 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.77 -33.56 71.85 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.918 0.781 . . . . 0.0 112.347 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 40.6 t -66.42 -42.92 87.03 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.236 -0.915 . . . . 0.0 112.487 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -67.66 -39.58 84.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.859 1.263 . . . . 0.0 113.525 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.65 152.03 45.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.829 1.651 . . . . 0.0 112.969 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.2 t -67.61 155.74 38.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.337 1.455 . . . . 0.0 113.357 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -52.66 -36.33 56.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.97 1.308 . . . . 0.0 111.711 166.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -66.33 -43.43 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.91 -39.1 87.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.593 0.757 . . . . 0.0 112.165 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.13 -40.58 96.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.869 0.759 . . . . 0.0 112.439 175.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.36 -39.74 91.72 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.585 0.629 . . . . 0.0 112.089 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.88 61.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.28 -37.79 88.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.517 1.053 . . . . 0.0 111.235 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.34 88.29 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.79 0.836 . . . . 0.0 112.261 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.86 -45.87 91.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.055 0.942 . . . . 0.0 111.417 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.2 -45.92 89.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.861 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.77 -24.28 65.31 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.581 1.082 . . . . 0.0 113.431 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -76.22 -40.03 53.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.493 1.117 . . . . 0.0 112.635 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.89 -37.08 86.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.244 1.018 . . . . 0.0 111.842 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.595 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -46.12 90.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.277 1.031 . . . . 0.0 110.755 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -59.54 -39.67 84.74 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.567 1.147 . . . . 0.0 112.609 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.15 -50.61 60.62 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.385 -0.822 . . . . 0.0 111.985 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.82 -29.76 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.508 1.123 . . . . 0.0 112.611 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -79.08 -21.11 47.22 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.88 1.272 . . . . 0.0 113.955 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.25 -33.08 9.0 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.513 1.054 . . . . 0.0 114.434 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.49 172.62 10.17 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.383 1.473 . . . . 0.0 114.076 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.69 173.19 6.54 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.825 1.25 . . . . 0.0 113.241 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.83 -27.02 67.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.084 -1.01 . . . . 0.0 113.515 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.49 -30.42 69.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.189 0.996 . . . . 0.0 112.317 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -78.3 -35.71 47.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.453 1.101 . . . . 0.0 111.703 174.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.69 -48.73 80.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.216 0.606 . . . . 0.0 110.716 169.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.05 70.61 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.87 77.33 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -30.1 13.42 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.19 -34.89 59.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.385 1.074 . . . . 0.0 112.208 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.85 -135.72 43.86 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.888 1.232 . . . . 0.0 112.479 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -67.91 -7.08 25.38 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -92.32 1.42 57.24 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.495 1.518 . . . . 0.0 113.942 172.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 149.91 30.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 112.793 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tp . . . . . 0 CA--C 1.548 0.867 0 C-N-CA 123.959 0.903 . . . . 0.0 112.932 -172.642 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.71 -27.21 66.62 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.92 -51.59 7.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.528 1.131 . . . . 0.0 110.981 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.48 -48.38 81.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.229 1.011 . . . . 0.0 112.825 -176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.6 -47.46 75.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.694 0.798 . . . . 0.0 112.152 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.56 -41.33 98.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.339 -0.851 . . . . 0.0 112.063 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.2 t -60.9 -39.4 89.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.018 0.927 . . . . 0.0 112.95 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -67.54 -47.65 69.26 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.792 0.837 . . . . 0.0 112.014 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.77 -31.7 71.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.217 1.007 . . . . 0.0 113.173 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.4 p -66.05 -27.1 67.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.742 1.155 . . . . 0.0 112.453 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -91.63 -6.88 51.48 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.525 1.93 . . . . 0.0 114.422 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.84 156.53 17.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.616 1.166 . . . . 0.0 112.384 168.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -77.9 161.37 27.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.544 1.138 . . . . 0.0 110.948 176.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -56.61 -43.89 80.61 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.059 -1.026 . . . . 0.0 112.624 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -60.53 -40.15 90.46 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 118.4 0.545 . . . . 0.0 112.321 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.86 -42.39 77.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.14 0.976 . . . . 0.0 112.491 172.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.5 -36.42 83.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.945 1.698 . . . . 0.0 112.586 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.6 mtm -69.73 -40.63 76.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.219 0.607 . . . . 0.0 112.129 168.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.21 78.8 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.56 -35.64 81.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.191 -0.943 . . . . 0.0 111.808 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.32 84.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.846 0.858 . . . . 0.0 112.001 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.38 -44.75 78.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.552 1.141 . . . . 0.0 111.059 172.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -56.87 -51.7 68.04 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.973 0.909 . . . . 0.0 112.564 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.4 -24.8 64.81 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -76.77 -33.45 58.07 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.572 1.149 . . . . 0.0 112.84 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.67 -40.33 69.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.13 0.972 . . . . 0.0 112.466 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -179.062 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -43.36 99.02 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.434 -0.791 . . . . 0.0 111.425 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.3 t -66.54 -34.91 78.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.121 0.969 . . . . 0.0 112.223 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.17 -47.17 77.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.538 -0.726 . . . . 0.0 111.8 175.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.23 -32.14 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.779 1.232 . . . . 0.0 112.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.56 -26.97 62.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.274 -0.891 . . . . 0.0 113.167 171.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.38 -41.02 12.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.674 1.131 . . . . 0.0 114.574 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.52 170.14 16.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.328 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 178.43 4.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.434 1.094 . . . . 0.0 113.456 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -59.87 -28.44 67.53 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.39 -35.83 81.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.911 0.885 . . . . 0.0 112.266 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.9 -38.24 57.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.971 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.79 -45.72 91.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.309 0.643 . . . . 0.0 111.155 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.43 75.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.081 0.855 . . . . 0.0 113.084 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.69 78.14 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.707 -0.621 . . . . 0.0 112.593 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.35 -30.05 16.77 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.31 -40.88 25.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.553 1.141 . . . . 0.0 111.727 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.32 -115.61 7.65 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.463 1.03 . . . . 0.0 112.805 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -50.76 -40.52 55.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.48 1.912 . . . . 0.0 113.704 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -92.26 8.59 37.53 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.573 1.149 . . . . 0.0 113.698 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.71 142.22 58.22 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.419 -0.8 . . . . 0.0 111.608 174.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.5 tp . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -170.34 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.6 65.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -76.55 -44.81 33.25 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.628 1.171 . . . . 0.0 110.528 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -66.56 -46.31 76.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 0.0 112.12 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -64.86 -48.38 74.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.612 1.165 . . . . 0.0 112.083 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.89 -29.49 70.44 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.364 -0.835 . . . . 0.0 112.586 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.5 t -67.47 -33.39 75.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.532 1.133 . . . . 0.0 113.395 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -68.61 -48.9 62.93 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.228 -1.545 . . . . 0.0 110.985 167.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.42 -40.06 71.0 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.563 1.145 . . . . 0.0 112.626 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.2 p -71.21 -32.17 68.49 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -76.27 -38.73 55.84 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.723 1.209 . . . . 0.0 113.376 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.72 146.25 51.67 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 0.0 112.36 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 22.7 t -73.58 165.2 25.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.808 1.243 . . . . 0.0 112.602 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -50.67 -39.19 50.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.993 1.717 . . . . 0.0 112.381 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.46 -45.04 77.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.671 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.67 -38.62 84.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.434 1.094 . . . . 0.0 112.099 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.08 -39.77 87.26 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.011 1.324 . . . . 0.0 112.5 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 73.0 mtm -67.21 -42.47 84.07 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.701 -0.625 . . . . 0.0 112.453 170.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.56 82.6 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.687 0.795 . . . . 0.0 112.816 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.29 -37.53 85.62 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.835 0.743 . . . . 0.0 111.562 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.89 95.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.218 1.007 . . . . 0.0 112.229 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.21 -47.43 79.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.27 -42.59 99.13 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.267 -0.896 . . . . 0.0 113.13 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.32 -26.83 65.82 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.309 0.959 . . . . 0.0 113.192 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.18 -35.46 66.4 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.175 0.898 . . . . 0.0 112.489 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -70.98 -35.93 72.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.234 1.014 . . . . 0.0 112.532 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.431 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.72 -46.69 86.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.756 -0.59 . . . . 0.0 111.297 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 t -65.34 -37.52 87.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.517 0.727 . . . . 0.0 112.404 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.71 -47.21 79.15 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.507 0.723 . . . . 0.0 112.184 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -68.47 -29.86 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.691 1.196 . . . . 0.0 112.886 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.2 -32.04 62.89 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 112.889 172.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.22 -26.34 44.45 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.772 1.177 . . . . 0.0 115.239 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.74 -174.39 2.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.877 1.271 . . . . 0.0 113.313 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.65 164.64 23.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.697 1.599 . . . . 0.0 112.586 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.6 -22.88 62.43 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.83 -35.72 80.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.151 0.98 . . . . 0.0 112.894 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.46 -36.68 63.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.424 1.09 . . . . 0.0 111.569 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.14 -46.06 82.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.441 0.696 . . . . 0.0 111.173 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.1 -33.38 73.28 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 112.899 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.5 87.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -28.51 18.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.9 -40.74 46.34 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.754 1.222 . . . . 0.0 111.928 172.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.84 -130.56 49.78 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.894 0.759 . . . . 0.0 112.476 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -15.37 57.67 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.1 0.78 39.09 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.83 144.37 44.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.176 -0.953 . . . . 0.0 112.802 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.166 0.986 . . . . 0.0 113.476 -170.144 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -35.91 80.71 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -74.71 -44.47 49.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.499 0.72 . . . . 0.0 112.151 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.16 -48.26 79.19 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.626 -0.671 . . . . 0.0 111.643 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -65.65 -47.78 74.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.649 0.78 . . . . 0.0 112.115 -176.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.57 -37.37 86.48 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.132 -0.98 . . . . 0.0 112.143 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.0 t -63.53 -48.97 75.33 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.531 0.605 . . . . 0.0 112.257 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.6 -37.23 73.84 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.894 -1.129 . . . . 0.0 112.301 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.79 -18.72 65.52 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.967 1.258 . . . . 0.0 113.853 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -74.82 -43.23 55.72 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.742 1.61 . . . . 0.0 111.021 169.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -66.43 -46.55 76.12 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.464 1.506 . . . . 0.0 113.997 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.36 151.43 32.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 113.02 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.8 t -67.66 154.04 42.37 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.621 1.169 . . . . 0.0 111.97 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -56.53 -29.35 61.8 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.959 -1.088 . . . . 0.0 112.526 168.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -62.52 -44.85 95.35 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.476 -0.765 . . . . 0.0 112.348 170.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.15 -40.7 78.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.793 1.237 . . . . 0.0 112.081 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.9 -42.36 93.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.822 1.249 . . . . 0.0 112.166 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.57 -45.86 90.99 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.699 0.681 . . . . 0.0 112.227 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.08 76.66 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.27 -37.71 86.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.268 0.94 . . . . 0.0 111.83 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.23 90.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.684 0.793 . . . . 0.0 111.856 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -45.43 79.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.597 0.759 . . . . 0.0 110.731 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -61.08 -46.29 91.26 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.807 0.843 . . . . 0.0 113.023 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.36 -23.36 62.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -37.56 51.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.05 0.94 . . . . 0.0 112.617 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.7 -36.11 83.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.396 1.078 . . . . 0.0 112.719 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.069 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 120.186 0.041 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.69 -39.62 92.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.443 -0.786 . . . . 0.0 111.959 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -65.19 -46.23 81.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.965 0.506 . . . . 0.0 112.149 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -70.57 -45.37 65.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.78 -28.36 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.384 1.473 . . . . 0.0 112.548 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.0 -20.28 49.49 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.029 -1.044 . . . . 0.0 113.752 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.16 -32.66 9.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.034 1.302 . . . . 0.0 115.09 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.45 175.48 4.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.406 1.882 . . . . 0.0 113.562 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.7 168.12 10.31 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.198 1.399 . . . . 0.0 113.353 174.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.75 -24.86 64.39 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.532 -1.355 . . . . 0.0 114.176 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -66.93 -32.66 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.524 -0.735 . . . . 0.0 112.686 172.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -72.13 -38.49 69.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.664 1.186 . . . . 0.0 111.543 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.04 -47.64 82.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.413 0.685 . . . . 0.0 110.185 172.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.83 90.47 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.34 -30.27 20.93 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.22 -39.03 34.21 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.255 1.022 . . . . 0.0 112.491 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.79 33.69 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.604 0.621 . . . . 0.0 111.929 -174.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.46 -21.31 62.2 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -75.92 -7.27 54.16 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.66 137.71 58.15 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.082 -1.012 . . . . 0.0 111.727 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 123.686 0.794 . . . . 0.0 112.599 -172.639 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -81.8 -58.96 2.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.236 2.214 . . . . 0.0 111.404 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -71.76 -40.59 69.22 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -169.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.21 -42.01 93.93 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 111.741 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.77 -50.06 63.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.246 1.018 . . . . 0.0 111.953 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.19 -40.28 85.21 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.096 0.558 . . . . 0.0 111.955 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 47.2 t -61.25 -51.23 69.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.933 0.893 . . . . 0.0 112.264 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.12 -45.82 91.76 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.071 -1.018 . . . . 0.0 112.141 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -30.25 71.4 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 118.9 -0.572 . . . . 0.0 112.49 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.7 p -69.53 -26.38 64.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.723 1.147 . . . . 0.0 113.438 173.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -88.41 -33.12 18.0 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.321 1.448 . . . . 0.0 113.376 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.33 153.64 42.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.098 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.2 t -66.03 157.16 31.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.4 . . . . 0.0 113.303 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -53.83 -39.77 65.87 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.64 1.576 . . . . 0.0 112.148 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -70.04 -40.68 74.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.013 0.925 . . . . 0.0 112.292 176.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -66.3 -40.16 89.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.143 0.977 . . . . 0.0 112.524 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.11 -44.86 92.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.705 1.202 . . . . 0.0 112.234 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 56.8 mtm -61.74 -44.06 97.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.727 0.411 . . . . 0.0 111.708 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.84 -46.47 71.71 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.95 -39.35 93.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.388 0.994 . . . . 0.0 111.539 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.54 96.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.378 1.071 . . . . 0.0 112.214 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.45 -45.74 82.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.502 -0.749 . . . . 0.0 110.86 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.21 -45.27 94.08 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.349 -0.844 . . . . 0.0 113.264 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.85 -25.17 63.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.926 0.785 . . . . 0.0 112.788 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -75.01 -34.75 61.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.265 1.026 . . . . 0.0 112.157 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.69 -35.66 72.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.441 1.096 . . . . 0.0 112.683 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 178.049 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.12 -45.28 91.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.86 1.264 . . . . 0.0 111.993 -174.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -73.71 -27.94 61.46 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.866 0.866 . . . . 0.0 113.082 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -70.76 -45.43 64.81 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.955 -1.09 . . . . 0.0 111.827 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.99 -24.53 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.62 1.568 . . . . 0.0 112.497 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -80.21 -21.12 43.25 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 169.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.54 -29.78 11.64 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.323 0.963 . . . . 0.0 115.321 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.43 173.2 7.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.011 1.725 . . . . 0.0 113.667 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.44 167.27 10.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.776 1.23 . . . . 0.0 113.166 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.72 -25.33 66.36 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.01 -32.35 73.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.747 0.819 . . . . 0.0 112.566 172.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -72.25 -35.74 68.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.393 1.077 . . . . 0.0 111.71 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.08 -50.29 64.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.702 0.801 . . . . 0.0 110.864 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -33.57 70.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.151 0.98 . . . . 0.0 113.309 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.1 75.15 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.17 -27.03 13.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 -40.02 62.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.31 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.17 -127.06 44.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.174 0.892 . . . . 0.0 113.418 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.08 -24.38 67.88 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.125 0.97 . . . . 0.0 113.538 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -83.68 4.57 28.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.987 1.315 . . . . 0.0 114.528 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.32 146.53 43.72 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.058 -1.026 . . . . 0.0 112.111 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 125.279 1.431 . . . . 0.0 113.207 -171.438 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -71.14 -43.29 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.56 1.544 . . . . 0.0 112.061 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.04 -45.76 66.45 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.009 1.324 . . . . 0.0 112.144 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.5 -41.74 79.6 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.009 0.924 . . . . 0.0 112.085 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.54 -48.02 76.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.796 0.838 . . . . 0.0 111.542 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.61 -42.32 96.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.737 0.699 . . . . 0.0 112.34 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -66.18 -27.81 68.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.2 -45.32 18.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.707 0.803 . . . . 0.0 111.023 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.21 -34.66 78.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.768 0.827 . . . . 0.0 112.83 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.4 p -65.53 -32.23 73.72 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.434 1.015 . . . . 0.0 112.376 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.43 -31.07 42.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.625 1.57 . . . . 0.0 113.569 176.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.45 148.56 50.45 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 113.056 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -71.94 159.7 33.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.626 1.571 . . . . 0.0 112.924 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -53.21 -38.74 63.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.245 1.418 . . . . 0.0 112.614 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.02 -40.46 87.26 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.485 0.714 . . . . 0.0 112.751 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -37.06 77.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.472 1.109 . . . . 0.0 112.535 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.52 -43.14 99.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.708 1.203 . . . . 0.0 112.125 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.3 mtm -59.21 -47.0 86.96 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.02 0.373 . . . . 0.0 111.787 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.56 72.38 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -39.88 94.4 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.898 1.226 . . . . 0.0 111.313 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.92 86.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.943 1.297 . . . . 0.0 112.101 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.98 -46.57 84.03 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.648 -0.658 . . . . 0.0 111.049 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.75 -46.18 90.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.615 0.766 . . . . 0.0 112.427 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.91 -25.96 65.75 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.57 1.077 . . . . 0.0 113.399 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -74.92 -38.9 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.645 1.178 . . . . 0.0 112.881 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.46 -39.69 92.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.999 0.92 . . . . 0.0 111.926 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.97 -30.57 68.02 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 112.558 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -63.3 -35.6 80.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 112.326 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -72.03 -45.21 61.71 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.551 0.74 . . . . 0.0 111.624 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.02 -31.22 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.334 1.054 . . . . 0.0 112.311 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.69 -25.82 61.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.955 0.902 . . . . 0.0 113.221 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.51 -27.86 10.21 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.44 177.17 4.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.869 1.668 . . . . 0.0 114.372 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.52 172.38 7.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.851 1.66 . . . . 0.0 112.884 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -60.85 -27.13 67.87 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.25 -29.72 70.02 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.112 -0.992 . . . . 0.0 113.264 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -75.28 -36.75 61.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.712 0.805 . . . . 0.0 111.627 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.18 -43.62 94.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.315 0.646 . . . . 0.0 110.632 174.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.78 69.92 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.64 53.45 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -31.63 27.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.08 -61.23 2.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.331 0.969 . . . . 0.0 110.837 165.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.21 -71.69 0.6 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.026 1.298 . . . . 0.0 112.7 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -144.72 124.79 13.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.152 2.181 . . . . 0.0 108.156 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -83.82 81.02 8.95 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 131.263 3.825 . . . . 0.0 114.457 1.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.03 152.3 44.94 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.216 158.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' B' ' 170' ' ' ASN . 7.4 tp . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.95 -39.78 79.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.931 1.293 . . . . 0.0 112.702 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -71.94 -42.74 66.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.585 0.754 . . . . 0.0 112.198 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -62.06 -39.35 92.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.576 1.15 . . . . 0.0 111.656 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.66 -53.92 12.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.223 -0.923 . . . . 0.0 112.159 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.79 -38.47 90.76 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.08 -1.012 . . . . 0.0 113.48 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 -20.53 65.37 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -82.35 -50.26 9.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.696 1.198 . . . . 0.0 110.358 169.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.2 -28.92 70.02 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.599 -0.688 . . . . 0.0 112.652 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 77.9 p -69.38 -31.13 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.939 -1.101 . . . . 0.0 113.673 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -95.8 -21.4 18.15 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 150.15 49.25 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.865 1.266 . . . . 0.0 112.314 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 27.2 t -76.1 162.1 28.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.581 1.552 . . . . 0.0 113.018 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -51.84 -43.71 63.31 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.541 1.537 . . . . 0.0 112.419 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . 0.401 HD22 ' CG2' ' B' ' 132' ' ' ILE . 12.8 m120 -64.76 -42.18 95.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.093 0.957 . . . . 0.0 113.127 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.51 -38.66 87.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.509 0.724 . . . . 0.0 112.16 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.57 -43.27 99.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.318 1.047 . . . . 0.0 112.217 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.27 -40.97 97.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.584 0.354 . . . . 0.0 111.934 172.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.98 69.87 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -40.34 96.67 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.24 0.927 . . . . 0.0 111.263 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.4 -42.14 88.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.829 1.251 . . . . 0.0 112.089 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.48 -48.3 78.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.629 0.772 . . . . 0.0 111.728 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.84 -45.17 95.54 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.436 -0.79 . . . . 0.0 112.623 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.38 -24.34 62.94 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.064 0.847 . . . . 0.0 113.122 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -75.66 -37.75 59.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.254 1.022 . . . . 0.0 112.873 170.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.3 -34.48 78.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.902 0.881 . . . . 0.0 112.827 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 177.293 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 120.716 0.293 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.75 -45.29 90.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.836 1.254 . . . . 0.0 110.507 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 m -69.73 -28.45 65.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.913 0.885 . . . . 0.0 112.234 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -68.91 -46.04 69.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.176 0.99 . . . . 0.0 112.066 169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.76 -32.35 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.6 1.16 . . . . 0.0 112.428 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.85 -19.92 58.51 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.82 -44.15 5.83 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.977 1.275 . . . . 0.0 113.717 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.82 159.75 33.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.733 1.213 . . . . 0.0 113.449 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.01 175.96 5.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.4 1.08 . . . . 0.0 113.782 -172.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -60.85 -28.57 68.94 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.71 -33.5 75.77 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.468 -0.77 . . . . 0.0 112.589 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -76.8 -37.57 55.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.281 1.032 . . . . 0.0 111.781 175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.89 -47.14 87.74 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.663 0.785 . . . . 0.0 110.995 171.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.92 72.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.488 -0.757 . . . . 0.0 112.992 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.84 80.77 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 113.051 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.13 -28.66 16.18 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.7 -33.19 27.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.849 1.259 . . . . 0.0 112.67 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.72 -136.08 35.89 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.77 1.176 . . . . 0.0 113.084 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.76 -23.58 65.09 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.578 1.151 . . . . 0.0 113.447 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.23 12.03 23.73 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.037 1.335 . . . . 0.0 114.453 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -57.2 139.15 53.5 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.876 -1.14 . . . . 0.0 110.403 162.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.479 1.021 0 C-N-CA 123.523 0.729 . . . . 0.0 112.711 -171.667 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.65 77.74 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.501 1.121 . . . . 0.0 113.07 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -74.05 -44.61 53.65 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.888 0.875 . . . . 0.0 111.102 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.38 -46.79 87.68 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.779 1.232 . . . . 0.0 111.798 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -62.06 -53.57 53.61 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.589 1.155 . . . . 0.0 111.728 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.96 -36.78 85.48 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.321 -0.862 . . . . 0.0 112.972 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 t -65.5 -34.48 78.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.73 1.212 . . . . 0.0 113.358 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -80.54 -38.91 28.74 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.725 1.148 . . . . 0.0 112.761 171.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.35 -37.31 67.3 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.272 1.029 . . . . 0.0 113.606 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -66.79 -22.82 66.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -85.7 -25.65 26.38 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.293 1.837 . . . . 0.0 112.903 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.53 150.19 47.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.571 1.548 . . . . 0.0 111.532 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.7 p -69.46 167.84 15.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.955 0.902 . . . . 0.0 112.539 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -57.89 -38.12 75.22 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.516 -0.74 . . . . 0.0 111.885 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -65.85 -43.3 88.87 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.678 -0.639 . . . . 0.0 112.05 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.37 -39.38 89.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.594 0.758 . . . . 0.0 112.214 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.69 -38.74 85.99 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.496 1.118 . . . . 0.0 112.566 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.9 mtm -70.28 -41.22 73.68 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.877 -0.515 . . . . 0.0 112.281 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.77 82.42 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -177.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.42 -38.0 88.62 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.042 0.837 . . . . 0.0 111.322 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.67 93.77 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.371 1.068 . . . . 0.0 112.305 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.522 1.129 . . . . 0.0 111.192 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.46 -47.65 85.21 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.657 0.783 . . . . 0.0 112.764 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.05 -24.15 64.14 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.34 -40.73 50.53 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.057 0.844 . . . . 0.0 112.377 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.8 -37.92 89.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.495 0.718 . . . . 0.0 111.981 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 177.804 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.11 -32.39 73.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.717 -0.614 . . . . 0.0 112.084 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 m -75.32 -43.8 48.85 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.133 0.973 . . . . 0.0 112.614 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.29 -48.33 61.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.166 0.986 . . . . 0.0 112.743 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -66.6 -24.36 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.446 . . . . 0.0 112.697 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -80.17 -25.46 39.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.903 -1.123 . . . . 0.0 113.895 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.07 -36.03 25.8 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.041 0.829 . . . . 0.0 114.171 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -76.83 176.72 8.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.741 1.617 . . . . 0.0 113.225 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.44 178.44 6.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.148 1.379 . . . . 0.0 113.309 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -58.93 -30.05 67.56 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -64.93 -33.42 75.97 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 112.507 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.01 -36.11 49.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.526 1.13 . . . . 0.0 111.711 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.32 -45.24 94.11 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 110.935 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.96 73.39 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 174.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.2 74.4 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.943 0.792 . . . . 0.0 112.703 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.87 -32.99 30.79 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.02 -38.31 53.17 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.754 1.161 . . . . 0.0 112.144 169.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.1 -132.29 30.8 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.528 0.585 . . . . 0.0 111.95 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.65 -16.6 61.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.82 -1.7 40.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.928 1.291 . . . . 0.0 113.99 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.09 150.65 42.14 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 tp . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 123.986 0.915 . . . . 0.0 112.995 -173.37 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -37.88 27.45 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.109 1.364 . . . . 0.0 112.857 174.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.84 -44.57 66.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.439 1.096 . . . . 0.0 112.194 -175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -62.57 -46.96 85.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.029 0.932 . . . . 0.0 111.463 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.66 -48.93 75.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.45 1.1 . . . . 0.0 112.133 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.19 -37.76 88.35 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.421 -0.799 . . . . 0.0 112.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 45.6 t -61.89 -45.87 91.86 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.762 0.71 . . . . 0.0 111.675 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -63.51 -49.77 72.25 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.393 1.077 . . . . 0.0 111.728 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.84 -31.69 72.95 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.761 0.824 . . . . 0.0 112.66 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.4 t -61.49 -38.52 87.61 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.956 -1.09 . . . . 0.0 112.274 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -80.08 -27.32 39.3 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.067 1.347 . . . . 0.0 114.609 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.33 155.5 39.36 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.767 1.227 . . . . 0.0 113.056 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 46.6 t -71.71 157.49 37.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.094 1.357 . . . . 0.0 113.038 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -54.22 -43.05 70.49 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.391 1.076 . . . . 0.0 111.944 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -59.96 -41.66 92.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.62 -40.39 88.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.293 0.637 . . . . 0.0 112.161 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.66 -42.87 99.51 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.79 -42.45 99.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.603 0.638 . . . . 0.0 112.14 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.81 69.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.61 -38.58 87.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.032 0.833 . . . . 0.0 111.878 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.03 91.03 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.995 0.918 . . . . 0.0 112.37 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.22 -50.3 73.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.715 0.806 . . . . 0.0 110.634 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.47 -50.48 73.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.543 0.737 . . . . 0.0 112.747 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.76 -26.17 65.99 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.044 0.838 . . . . 0.0 112.998 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -79.62 -33.09 41.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.224 1.01 . . . . 0.0 112.855 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -68.92 -38.56 79.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.309 1.044 . . . . 0.0 112.601 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.73 -42.0 91.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.99 0.516 . . . . 0.0 110.62 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -61.5 -39.16 89.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.802 0.841 . . . . 0.0 112.764 174.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -67.39 -50.33 60.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.133 -0.98 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.03 -31.75 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.634 1.174 . . . . 0.0 112.44 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.03 -22.48 60.63 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.083 . . . . 0.0 113.752 171.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.92 -42.91 5.54 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.845 1.212 . . . . 0.0 114.589 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 165.49 25.06 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.65 1.18 . . . . 0.0 113.154 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 177.08 4.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.821 1.248 . . . . 0.0 113.743 -173.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -58.0 -28.98 64.91 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -67.0 -34.75 78.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.078 0.951 . . . . 0.0 112.378 172.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.52 -35.23 53.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.929 1.291 . . . . 0.0 112.076 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.28 -45.21 89.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.34 0.656 . . . . 0.0 110.776 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.9 72.22 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.211 -0.93 . . . . 0.0 113.155 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.09 -17.98 63.93 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.84 -30.5 6.73 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.62 -36.43 62.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.994 1.318 . . . . 0.0 112.261 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.72 -120.88 20.86 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.924 1.25 . . . . 0.0 112.736 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.03 -24.68 66.36 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -87.99 3.74 47.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.779 1.232 . . . . 0.0 113.322 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.18 142.88 58.22 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.308 -0.87 . . . . 0.0 111.796 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 123.944 0.898 . . . . 0.0 113.115 -171.02 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -70.74 -47.06 61.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.111 1.764 . . . . 0.0 110.876 -176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -57.99 -51.72 68.51 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.97 -37.28 84.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -76.9 -53.72 7.51 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.737 0.815 . . . . 0.0 112.026 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.24 -36.81 85.29 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.197 -0.939 . . . . 0.0 112.888 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.3 t -62.44 -32.35 73.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.614 0.765 . . . . 0.0 112.65 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -76.02 -47.58 24.26 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.062 -1.024 . . . . 0.0 110.837 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.6 -23.19 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -73.35 -32.79 64.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.006 -1.684 . . . . 0.0 112.873 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -79.09 -37.77 37.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.393 1.477 . . . . 0.0 113.4 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.9 144.6 56.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.54 1.136 . . . . 0.0 112.29 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -71.03 159.41 34.79 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.289 1.435 . . . . 0.0 112.136 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -43.47 -52.96 5.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.003 1.721 . . . . 0.0 112.233 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -67.03 -35.76 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.632 1.173 . . . . 0.0 112.786 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.21 -40.57 86.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.205 1.002 . . . . 0.0 112.097 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.23 -44.22 88.95 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.097 0.959 . . . . 0.0 111.78 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -58.25 -36.9 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.742 0.817 . . . . 0.0 112.301 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.97 -50.24 17.32 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -34.88 78.7 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 120.924 -1.11 . . . . 0.0 112.472 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.05 77.88 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.028 0.931 . . . . 0.0 112.563 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.418 -0.802 . . . . 0.0 110.734 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -55.52 -51.31 67.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.373 1.069 . . . . 0.0 112.982 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.83 -24.37 64.37 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -75.55 -41.63 54.37 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.805 1.242 . . . . 0.0 111.996 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.56 -33.4 74.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.39 1.076 . . . . 0.0 112.468 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.043 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -35.58 80.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.798 1.239 . . . . 0.0 112.063 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 26.3 t -63.19 -35.03 78.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.805 0.842 . . . . 0.0 112.358 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -72.48 -48.62 39.33 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.154 -0.967 . . . . 0.0 111.784 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.44 -32.02 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.431 1.092 . . . . 0.0 113.017 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -72.63 -20.79 61.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.475 1.11 . . . . 0.0 113.878 172.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.37 -32.5 6.97 Favored Glycine 0 CA--C 1.543 1.823 0 C-N-CA 124.324 0.964 . . . . 0.0 114.918 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.08 179.98 4.7 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.181 1.392 . . . . 0.0 113.819 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.68 175.01 9.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.837 1.255 . . . . 0.0 113.172 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.92 -28.33 67.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -171.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.65 -33.57 76.2 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.185 -0.947 . . . . 0.0 112.443 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -74.89 -36.16 62.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.104 . . . . 0.0 111.833 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.73 -46.55 84.89 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.31 0.644 . . . . 0.0 111.274 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.71 -31.32 71.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.82 -21.37 63.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -28.64 7.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -75.1 -34.36 61.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.64 1.176 . . . . 0.0 111.601 168.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.06 -132.51 42.92 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.921 1.248 . . . . 0.0 113.353 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -65.93 -16.89 64.27 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.046 0.938 . . . . 0.0 113.332 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -96.24 11.53 34.19 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.604 1.562 . . . . 0.0 113.321 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -57.45 153.52 12.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.999 1.32 . . . . 0.0 112.344 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.7 tp . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 124.256 1.022 . . . . 0.0 112.566 -173.407 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -73.21 -53.57 10.6 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.397 1.879 . . . . 0.0 110.287 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.88 -47.39 85.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.829 0.852 . . . . 0.0 112.869 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.59 -49.05 67.63 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.681 -0.637 . . . . 0.0 112.155 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -64.75 -44.53 89.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.807 0.843 . . . . 0.0 112.329 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.23 -34.1 76.74 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.31 -0.869 . . . . 0.0 112.297 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 23.7 t -66.03 -44.3 85.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.326 0.65 . . . . 0.0 111.516 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -56.22 -48.5 76.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.631 1.105 . . . . 0.0 111.165 173.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.43 -23.87 63.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 42.8 t -70.18 -40.24 74.77 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.005 -1.059 . . . . 0.0 111.877 167.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -75.14 -41.59 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.646 1.578 . . . . 0.0 114.86 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.63 156.39 35.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 113.066 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.2 t -70.76 155.89 40.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.965 1.306 . . . . 0.0 112.739 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.41 -37.78 57.45 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.104 1.362 . . . . 0.0 112.307 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -66.55 -40.41 89.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.796 0.838 . . . . 0.0 112.599 174.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.03 -38.87 83.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.016 0.926 . . . . 0.0 112.323 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.73 -41.03 94.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.283 1.433 . . . . 0.0 112.085 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.51 -47.29 84.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.535 0.607 . . . . 0.0 111.335 169.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.43 76.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.28 -38.47 90.36 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.17 0.896 . . . . 0.0 111.233 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.68 92.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.982 0.913 . . . . 0.0 111.738 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -46.5 89.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.218 1.007 . . . . 0.0 111.194 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.58 -47.86 81.97 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.334 -0.854 . . . . 0.0 112.741 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.45 -23.2 62.67 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.518 1.054 . . . . 0.0 113.512 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -73.82 -40.69 63.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.864 1.266 . . . . 0.0 112.187 171.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -69.2 -28.33 66.29 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.036 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.59 -35.91 82.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.198 1.363 . . . . 0.0 111.618 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 m -76.23 -39.17 55.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.081 0.953 . . . . 0.0 112.337 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -65.55 -47.54 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.51 0.724 . . . . 0.0 112.678 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.51 -25.2 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.1 1.36 . . . . 0.0 113.086 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.91 -18.89 35.86 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.039 -1.038 . . . . 0.0 113.792 171.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.71 -36.01 8.86 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.926 1.251 . . . . 0.0 114.419 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.7 173.39 9.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.299 1.44 . . . . 0.0 112.999 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 173.54 6.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.27 1.028 . . . . 0.0 113.507 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.21 -28.51 68.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.322 1.049 . . . . 0.0 113.587 -173.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 112.431 173.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -76.54 -36.92 57.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 111.566 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.99 -47.83 84.22 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.065 0.546 . . . . 0.0 110.82 170.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.42 80.42 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.96 92.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.56 -29.03 18.09 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.97 -39.35 56.15 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.613 1.165 . . . . 0.0 112.086 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.93 -126.54 37.02 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 112.904 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.84 -26.16 67.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.438 1.095 . . . . 0.0 113.131 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -80.89 1.08 32.38 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.925 1.29 . . . . 0.0 113.712 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.6 148.82 36.9 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.156 -0.965 . . . . 0.0 111.862 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 124.109 0.963 . . . . 0.0 112.844 -171.771 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -67.34 -50.21 60.88 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.791 1.636 . . . . 0.0 111.582 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -61.8 -51.36 68.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.492 0.717 . . . . 0.0 112.478 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -63.43 -48.6 77.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 112.496 -173.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.29 -51.8 58.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.774 . . . . 0.0 111.935 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -37.77 88.63 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.48 -0.762 . . . . 0.0 112.388 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -63.73 -48.22 77.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.542 0.737 . . . . 0.0 112.015 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.49 -38.93 85.11 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.432 -0.793 . . . . 0.0 112.728 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.5 -29.32 69.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.144 0.884 . . . . 0.0 112.686 174.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.0 -23.11 62.12 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -82.03 -38.18 25.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 113.528 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.0 152.85 42.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.752 1.221 . . . . 0.0 113.224 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -70.65 160.79 31.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.144 1.377 . . . . 0.0 113.002 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -55.09 -41.0 71.04 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.931 1.292 . . . . 0.0 111.851 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -65.6 -40.74 93.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.293 0.637 . . . . 0.0 112.631 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.57 -38.38 80.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.164 0.985 . . . . 0.0 112.549 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.7 -40.51 95.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.727 1.211 . . . . 0.0 111.976 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.0 mtm -63.06 -45.2 93.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.971 0.351 . . . . 0.0 111.669 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.45 71.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.19 -36.83 84.1 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.134 -0.979 . . . . 0.0 111.346 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.78 89.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.071 0.949 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.69 -48.32 79.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.559 0.744 . . . . 0.0 110.945 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.24 -46.23 89.79 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.34 -27.54 67.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.344 0.975 . . . . 0.0 113.119 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -73.74 -38.1 64.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.094 0.958 . . . . 0.0 112.765 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -71.65 -34.14 69.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.617 0.767 . . . . 0.0 112.644 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.156 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.515 0.197 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.94 -42.87 99.6 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 110.682 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -62.61 -40.04 95.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.066 1.346 . . . . 0.0 112.141 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.01 -46.68 73.76 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.126 -0.984 . . . . 0.0 111.999 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.75 -28.06 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.304 1.042 . . . . 0.0 112.457 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.7 -25.11 44.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.439 -1.413 . . . . 0.0 114.57 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.53 -36.62 29.41 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.228 0.918 . . . . 0.0 114.129 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.01 171.42 15.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.389 1.476 . . . . 0.0 112.895 174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.91 177.04 5.46 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.024 1.33 . . . . 0.0 113.626 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -58.93 -29.25 66.96 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.21 -34.84 78.93 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.369 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.31 -34.64 55.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.28 -48.06 83.16 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.462 0.705 . . . . 0.0 110.409 170.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.44 71.26 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.71 65.12 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.06 -29.71 10.72 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.33 -37.27 68.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.887 1.275 . . . . 0.0 111.743 169.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.93 -129.79 38.66 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.129 0.871 . . . . 0.0 112.502 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -64.34 -19.2 65.3 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.35 7.4 22.56 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.607 1.163 . . . . 0.0 114.007 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.22 155.81 16.73 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.884 -1.135 . . . . 0.0 112.376 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 N--CA 1.474 0.733 0 C-N-CA 124.618 1.167 . . . . 0.0 113.203 -172.316 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -76.75 -39.47 51.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.529 1.132 . . . . 0.0 112.934 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -72.41 -44.57 62.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.711 0.804 . . . . 0.0 112.291 -173.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -66.3 -28.88 69.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.33 1.052 . . . . 0.0 112.559 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -77.51 -52.13 9.57 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.969 1.308 . . . . 0.0 111.864 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.64 -36.96 84.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.942 0.897 . . . . 0.0 112.953 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 89.8 p -70.13 -19.78 63.2 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -77.47 -49.46 14.73 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.855 -1.153 . . . . 0.0 111.157 161.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -30.98 66.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.373 1.069 . . . . 0.0 113.408 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 93.0 p -68.41 -34.35 75.85 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.399 0.999 . . . . 0.0 113.547 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -81.09 -36.62 30.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.76 1.624 . . . . 0.0 113.361 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.38 149.33 50.17 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.698 1.199 . . . . 0.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 45.3 t -72.61 156.46 38.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.986 1.314 . . . . 0.0 111.955 176.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -56.05 -35.89 67.42 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.992 -1.068 . . . . 0.0 112.841 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -62.85 -41.17 99.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.564 0.746 . . . . 0.0 112.053 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.21 -38.29 81.77 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.583 0.753 . . . . 0.0 111.991 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.58 -43.58 98.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.771 0.714 . . . . 0.0 112.25 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.23 -41.72 97.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.331 0.514 . . . . 0.0 111.463 173.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.83 -56.76 10.23 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.06 -37.28 82.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.181 0.901 . . . . 0.0 112.265 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.15 93.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.053 0.941 . . . . 0.0 112.213 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -42.22 75.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.405 -0.81 . . . . 0.0 110.756 175.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -57.36 -53.17 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.377 -0.827 . . . . 0.0 112.363 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.99 -27.88 66.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -74.17 -38.0 63.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.686 1.194 . . . . 0.0 112.351 174.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.76 -41.86 67.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.132 0.973 . . . . 0.0 112.061 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 . . . . . 0 CA--C 1.539 0.549 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.14 -55.96 13.8 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.314 0.961 . . . . 0.0 110.831 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.3 m -65.35 -28.78 69.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.764 0.826 . . . . 0.0 112.836 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -64.7 -53.33 48.92 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.091 0.956 . . . . 0.0 111.621 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -70.15 -29.56 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.918 1.287 . . . . 0.0 112.986 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -25.04 61.49 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.804 -1.185 . . . . 0.0 113.341 172.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.76 -35.92 27.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.977 0.798 . . . . 0.0 114.64 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.56 176.23 9.97 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.72 1.608 . . . . 0.0 112.99 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.56 178.53 6.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.04 1.336 . . . . 0.0 113.295 -177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -59.46 -28.94 67.44 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.01 -35.04 79.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.26 -0.9 . . . . 0.0 112.557 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.11 -38.64 51.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.542 1.137 . . . . 0.0 111.804 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.67 -45.47 94.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.226 0.61 . . . . 0.0 110.95 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 -33.58 75.79 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.84 78.91 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.491 -0.756 . . . . 0.0 112.914 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -29.45 25.83 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -79.51 -40.33 29.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.089 0.955 . . . . 0.0 112.0 169.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.0 -117.05 9.74 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.483 1.04 . . . . 0.0 113.38 174.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -35.93 60.8 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.486 1.514 . . . . 0.0 112.75 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -92.5 12.33 23.28 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.865 1.266 . . . . 0.0 114.333 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.92 147.97 48.8 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.678 -1.263 . . . . 0.0 112.182 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 124.554 1.142 . . . . 0.0 113.311 -171.621 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -66.86 -48.87 67.48 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.796 1.239 . . . . 0.0 112.934 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.5 -29.91 46.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.517 0.727 . . . . 0.0 112.175 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -62.87 -46.86 85.88 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.495 1.043 . . . . 0.0 112.325 173.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -63.4 -47.44 81.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.581 0.753 . . . . 0.0 111.596 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.65 -34.05 75.04 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.67 0.788 . . . . 0.0 112.885 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.4 t -66.18 -27.92 68.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.426 1.49 . . . . 0.0 114.087 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -77.71 -47.3 19.46 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.676 -1.265 . . . . 0.0 110.864 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.45 -39.38 67.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.107 1.363 . . . . 0.0 113.048 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.4 p -69.46 -27.41 65.21 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -83.95 -39.07 20.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.227 1.411 . . . . 0.0 113.575 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.87 149.6 49.22 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.359 1.064 . . . . 0.0 112.756 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.5 t -68.57 160.06 30.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.878 1.271 . . . . 0.0 112.18 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -58.33 -38.14 76.54 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.944 -1.097 . . . . 0.0 112.432 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -60.21 -42.06 94.35 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.25 -0.906 . . . . 0.0 112.497 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.13 -42.2 80.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.794 0.837 . . . . 0.0 112.049 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.02 -44.3 91.71 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.627 1.171 . . . . 0.0 111.54 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.2 mtm -61.78 -45.99 91.49 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.5 84.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.75 -40.14 79.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.013 0.824 . . . . 0.0 111.397 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.31 86.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.428 1.091 . . . . 0.0 112.172 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.18 -44.3 88.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.978 0.808 . . . . 0.0 111.053 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.34 -44.34 97.35 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.946 0.898 . . . . 0.0 113.121 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.26 -23.82 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.57 -37.61 65.47 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.672 1.189 . . . . 0.0 111.707 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.11 -38.19 90.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.044 1.338 . . . . 0.0 112.462 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.644 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.22 -40.47 90.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.451 1.101 . . . . 0.0 111.427 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.8 m -65.89 -33.07 75.0 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.985 0.914 . . . . 0.0 112.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -76.24 -44.9 35.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.348 0.522 . . . . 0.0 111.991 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.52 -31.99 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.358 1.063 . . . . 0.0 112.962 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -69.74 -29.18 66.48 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.21 -35.12 11.25 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.524 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.74 178.59 6.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.828 1.251 . . . . 0.0 113.844 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 175.86 8.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.767 1.227 . . . . 0.0 113.145 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -59.19 -29.26 67.34 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -64.86 -33.76 76.77 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 174.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -77.18 -33.47 56.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.632 1.173 . . . . 0.0 111.996 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.06 -49.19 73.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.092 0.557 . . . . 0.0 110.87 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.42 68.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.39 63.76 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.4 -26.96 8.47 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.22 -35.82 58.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.353 1.061 . . . . 0.0 111.831 170.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.18 -129.05 45.42 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.846 0.736 . . . . 0.0 112.439 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.46 -24.61 65.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.674 1.19 . . . . 0.0 113.466 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -84.31 1.85 43.0 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.809 1.244 . . . . 0.0 114.195 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.75 146.06 53.34 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.086 -1.009 . . . . 0.0 111.932 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 tp . . . . . 0 CA--C 1.55 0.952 0 C-N-CA 124.123 0.969 . . . . 0.0 112.571 -173.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -70.63 -41.55 72.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.98 0.912 . . . . 0.0 112.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.39 -43.54 85.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.237 0.615 . . . . 0.0 112.003 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.89 -51.74 63.15 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.237 1.015 . . . . 0.0 112.443 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.58 -47.47 69.68 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.377 0.671 . . . . 0.0 111.895 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -66.47 -36.51 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.166 -0.959 . . . . 0.0 112.39 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 37.8 t -66.96 -41.08 87.51 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.628 0.649 . . . . 0.0 112.081 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.506 -0.746 . . . . 0.0 111.484 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.94 -25.0 66.13 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 43.4 t -68.59 -35.56 77.53 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.833 -1.167 . . . . 0.0 112.424 171.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -70.85 -43.53 68.28 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.778 1.231 . . . . 0.0 113.336 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.09 154.64 40.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.194 1.397 . . . . 0.0 112.739 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 55.1 p -74.6 164.93 26.01 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.891 -1.13 . . . . 0.0 112.783 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -54.07 -43.47 70.3 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.019 -1.05 . . . . 0.0 111.827 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.12 -40.98 99.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.971 0.909 . . . . 0.0 112.151 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.99 -41.24 95.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.557 0.743 . . . . 0.0 112.408 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.3 -41.53 97.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.347 1.059 . . . . 0.0 112.296 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.1 mtm -62.61 -40.88 98.37 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.422 0.556 . . . . 0.0 112.04 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.19 61.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.86 -38.62 91.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.014 0.824 . . . . 0.0 111.643 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.72 82.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.898 0.879 . . . . 0.0 112.384 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.51 -48.22 80.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.129 0.972 . . . . 0.0 110.936 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -55.97 -52.3 64.64 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.839 1.255 . . . . 0.0 113.075 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.34 -23.67 63.8 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -76.78 -40.29 48.68 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.644 1.111 . . . . 0.0 113.001 168.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.55 -36.96 84.28 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.755 0.822 . . . . 0.0 112.086 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 177.484 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.71 -35.43 76.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.267 1.027 . . . . 0.0 111.8 -177.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 t -64.91 -38.92 92.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.046 0.938 . . . . 0.0 112.137 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.28 -48.42 61.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.594 -0.691 . . . . 0.0 111.643 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -63.96 -31.79 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.131 1.372 . . . . 0.0 113.225 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -78.69 -20.79 49.32 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.67 -36.45 9.4 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.432 1.015 . . . . 0.0 114.479 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.15 174.86 7.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.183 1.393 . . . . 0.0 113.1 176.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.57 175.72 7.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.218 1.407 . . . . 0.0 113.609 -178.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -60.88 -27.11 67.9 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -65.32 -31.82 73.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.903 0.881 . . . . 0.0 113.086 170.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -79.34 -36.41 39.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.289 1.036 . . . . 0.0 111.326 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.23 -47.78 78.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.634 0.773 . . . . 0.0 111.085 174.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.86 71.6 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.145 -0.972 . . . . 0.0 112.957 176.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.98 -19.33 63.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.44 -28.03 8.74 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.53 1.059 . . . . 0.0 113.744 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.57 -39.67 64.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.89 1.276 . . . . 0.0 112.097 171.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.82 -124.83 36.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.661 1.124 . . . . 0.0 112.527 172.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.12 -32.51 69.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.775 1.23 . . . . 0.0 113.496 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.2 6.2 30.61 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.19 157.81 1.76 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.707 1.603 . . . . 0.0 114.418 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 CA--C 1.543 0.685 0 O-C-N 121.057 -1.027 . . . . 0.0 112.749 -176.461 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.91 -39.64 83.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.157 1.383 . . . . 0.0 112.772 177.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.29 -44.68 78.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 111.301 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.83 -45.6 88.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.011 0.925 . . . . 0.0 112.563 176.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.71 -50.77 71.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.962 0.905 . . . . 0.0 111.488 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.64 -39.65 85.06 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.858 0.863 . . . . 0.0 112.267 176.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.2 m -66.86 -26.69 67.02 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -78.94 -50.55 10.99 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.238 0.926 . . . . 0.0 111.184 170.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.45 -27.82 67.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -67.87 -41.23 83.15 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.861 1.21 . . . . 0.0 113.323 173.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -81.01 -28.41 35.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.12 145.87 49.45 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.964 0.802 . . . . 0.0 112.114 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.8 t -64.79 152.87 41.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 176.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -57.14 -31.55 65.46 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.943 -1.098 . . . . 0.0 111.991 173.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.91 -42.66 97.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.741 0.816 . . . . 0.0 112.267 172.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.89 -36.73 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.858 0.863 . . . . 0.0 112.163 173.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.56 -43.76 98.01 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.203 0.911 . . . . 0.0 112.793 173.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 50.7 mtm -59.3 -43.97 92.58 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.507 0.594 . . . . 0.0 111.7 172.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.02 63.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.34 -42.39 98.93 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.545 1.066 . . . . 0.0 111.818 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.81 89.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.675 0.79 . . . . 0.0 111.245 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.02 -51.64 63.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.241 1.016 . . . . 0.0 111.159 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -56.34 -52.25 65.24 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.865 0.757 . . . . 0.0 112.714 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.06 -24.46 65.07 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -77.74 -45.08 25.73 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.811 0.844 . . . . 0.0 112.233 168.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -64.64 -34.59 78.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.922 0.889 . . . . 0.0 112.358 -175.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 174.734 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -29.37 70.09 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.219 -0.926 . . . . 0.0 112.486 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 -38.84 27.7 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.804 1.242 . . . . 0.0 112.06 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.93 -42.73 99.44 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.137 0.975 . . . . 0.0 111.979 176.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.6 mm -66.77 -24.82 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 124.755 1.222 . . . . 0.0 113.543 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.04 -25.04 34.97 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 167.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.84 -32.35 45.64 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.264 -0.898 . . . . 0.0 114.708 -178.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.68 -178.94 4.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.973 1.709 . . . . 0.0 113.544 175.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 173.28 11.07 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.003 1.321 . . . . 0.0 113.388 176.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -59.53 -28.2 66.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.68 -31.39 72.03 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.35 -35.68 63.6 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.385 1.074 . . . . 0.0 112.031 173.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.52 -46.07 81.05 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.741 0.816 . . . . 0.0 110.694 172.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.86 70.28 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.24 -0.913 . . . . 0.0 112.866 175.204 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.21 -17.12 63.75 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 177.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.81 -28.56 6.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.627 1.171 . . . . 0.0 114.132 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.47 -38.94 65.26 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.51 1.124 . . . . 0.0 111.429 169.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.16 35.05 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.444 1.021 . . . . 0.0 113.244 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -61.88 -21.83 65.03 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.92 6.25 42.84 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.283 1.833 . . . . 0.0 113.069 177.606 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.99 147.0 40.54 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.161 -0.962 . . . . 0.0 112.093 173.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -168.876 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.27 -36.81 74.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.05 0.94 . . . . 0.0 113.124 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.34 -42.67 74.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.998 0.919 . . . . 0.0 111.209 177.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -65.17 -40.57 94.49 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.89 -52.05 47.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.56 1.144 . . . . 0.0 111.594 177.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.87 -37.01 82.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.54 0.736 . . . . 0.0 112.746 176.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.3 t -58.0 -43.86 86.88 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.05 0.94 . . . . 0.0 111.931 176.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -72.0 -47.03 54.88 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.106 -0.996 . . . . 0.0 111.839 176.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.03 -37.57 83.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.766 0.827 . . . . 0.0 112.718 -178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 98.8 p -66.54 -29.45 69.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -91.31 -30.88 16.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.473 1.509 . . . . 0.0 114.222 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.17 157.72 24.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.81 1.244 . . . . 0.0 112.807 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 153.82 42.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.994 0.918 . . . . 0.0 112.528 177.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -54.46 -36.8 64.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.23 1.412 . . . . 0.0 111.949 167.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -68.09 -43.73 77.85 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.63 -0.669 . . . . 0.0 112.265 174.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.67 -37.09 86.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.287 1.035 . . . . 0.0 112.352 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.34 -43.05 96.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.653 1.181 . . . . 0.0 113.026 175.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.3 -46.45 88.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.857 1.208 . . . . 0.0 111.534 172.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.69 -44.16 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.56 -40.68 96.01 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.088 0.858 . . . . 0.0 111.059 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.33 88.49 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.501 178.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.71 -47.37 84.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.525 0.73 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.47 -49.72 76.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.655 0.782 . . . . 0.0 112.665 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.96 -23.19 60.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -76.76 -34.95 58.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.974 0.91 . . . . 0.0 112.099 172.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -69.32 -35.88 76.4 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.779 0.831 . . . . 0.0 113.063 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.685 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.36 -43.25 98.19 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.113 175.137 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -63.46 -31.79 73.04 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.275 1.03 . . . . 0.0 112.997 175.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.64 -47.46 69.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.041 -1.037 . . . . 0.0 111.538 173.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -66.35 -32.48 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.878 1.271 . . . . 0.0 112.777 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.33 -25.27 61.49 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.975 -1.078 . . . . 0.0 113.176 171.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.3 -37.46 8.98 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.806 1.193 . . . . 0.0 115.49 -176.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.69 169.95 13.35 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.349 175.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 172.7 7.01 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.668 1.187 . . . . 0.0 113.835 -177.427 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -62.65 -24.21 67.5 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -177.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.49 -32.74 74.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.942 0.792 . . . . 0.0 112.63 169.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.53 -38.84 54.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.094 0.958 . . . . 0.0 111.207 174.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.31 -46.33 89.23 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 111.428 174.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.93 74.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.373 -0.829 . . . . 0.0 113.08 176.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -35.45 79.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 176.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.29 -27.91 16.53 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -177.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.99 -40.27 39.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.65 1.18 . . . . 0.0 112.527 171.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 -122.59 30.37 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.167 0.889 . . . . 0.0 112.876 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -60.24 -30.53 69.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -83.86 3.87 31.89 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.744 1.218 . . . . 0.0 113.077 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -57.68 147.28 28.09 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.783 0.833 . . . . 0.0 113.206 177.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tp . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 124.56 1.144 . . . . 0.0 112.988 -173.571 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -36.77 85.41 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.191 0.996 . . . . 0.0 113.243 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -73.11 -48.22 37.55 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.238 1.015 . . . . 0.0 111.651 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.12 -46.43 90.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.754 0.822 . . . . 0.0 111.436 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.14 -56.13 24.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.262 1.025 . . . . 0.0 111.557 -179.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.4 -39.03 85.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.667 0.667 . . . . 0.0 112.559 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.1 m -64.67 -47.46 78.34 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.784 -0.573 . . . . 0.0 112.268 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -70.41 -41.02 73.51 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.284 0.947 . . . . 0.0 113.027 178.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.47 -30.9 65.43 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.735 1.152 . . . . 0.0 112.246 178.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -66.63 -33.35 75.47 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.368 -0.832 . . . . 0.0 113.143 174.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.12 -23.86 21.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.884 1.274 . . . . 0.0 113.712 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.3 153.16 35.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.826 0.851 . . . . 0.0 111.374 171.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -66.79 153.83 42.36 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.486 1.115 . . . . 0.0 112.417 175.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.84 -34.11 39.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.685 1.594 . . . . 0.0 111.96 166.339 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -70.07 -44.28 69.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.742 1.217 . . . . 0.0 112.738 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.97 -35.96 81.13 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.201 1.0 . . . . 0.0 112.515 176.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.68 -45.91 90.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.967 0.907 . . . . 0.0 112.02 174.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.0 mtm -60.06 -44.27 94.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 171.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.96 76.14 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -35.84 78.67 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.367 -0.833 . . . . 0.0 111.943 178.32 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.0 89.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.706 0.802 . . . . 0.0 112.292 174.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.96 -40.7 97.01 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.308 -0.87 . . . . 0.0 111.052 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -56.53 -53.15 60.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.145 0.978 . . . . 0.0 112.832 172.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.34 -22.84 62.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.58 -36.66 63.05 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.849 1.26 . . . . 0.0 112.477 171.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.8 -32.69 72.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.459 1.104 . . . . 0.0 113.044 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.684 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -43.31 98.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.385 0.674 . . . . 0.0 111.248 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 21.9 m -66.39 -35.8 81.23 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.789 0.836 . . . . 0.0 112.618 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.96 -50.13 69.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.596 0.759 . . . . 0.0 111.679 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.69 -28.35 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.98 1.312 . . . . 0.0 113.161 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -76.15 -28.16 57.27 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.009 -1.057 . . . . 0.0 113.261 170.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.42 -38.0 26.17 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.42 1.009 . . . . 0.0 114.441 -177.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.55 175.15 7.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.505 1.522 . . . . 0.0 113.234 175.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 173.79 7.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.918 1.287 . . . . 0.0 113.561 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.53 -28.14 68.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -66.7 -35.36 79.95 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.294 1.038 . . . . 0.0 112.144 173.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.73 -37.14 67.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.755 0.822 . . . . 0.0 111.733 173.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.65 -46.94 87.6 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.627 -0.671 . . . . 0.0 110.995 172.153 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.24 -32.4 72.19 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.148 0.885 . . . . 0.0 113.323 175.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.09 78.94 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 175.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.15 -30.5 15.92 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -177.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.67 -36.64 57.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.85 1.26 . . . . 0.0 111.573 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.08 -130.0 38.38 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.352 0.977 . . . . 0.0 112.615 177.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.4 -23.62 66.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.36 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -80.81 1.24 31.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -58.13 145.21 37.66 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.262 -0.899 . . . . 0.0 111.547 173.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.035 0.934 . . . . 0.0 113.397 -166.689 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.6 -59.24 2.82 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.364 1.465 . . . . 0.0 111.725 -168.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.08 -31.42 69.01 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -174.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.38 -46.79 72.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 112.379 174.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.13 -43.7 73.84 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.13 0.972 . . . . 0.0 111.79 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.09 -39.54 92.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.817 0.847 . . . . 0.0 112.114 175.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.6 t -62.44 -51.28 68.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.204 0.601 . . . . 0.0 111.004 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -57.24 -45.77 83.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.606 0.762 . . . . 0.0 112.371 -179.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.33 -19.15 62.34 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 25.9 t -73.66 -43.33 59.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.156 -1.59 . . . . 0.0 110.968 166.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -71.52 -38.98 71.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.391 1.876 . . . . 0.0 114.58 -177.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.09 157.13 35.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.428 1.091 . . . . 0.0 112.393 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 20.2 m -72.16 152.33 42.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.242 1.017 . . . . 0.0 111.672 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.34 -30.38 66.67 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.777 -1.202 . . . . 0.0 113.345 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -65.73 -41.25 92.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.751 1.22 . . . . 0.0 112.583 171.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.24 -40.15 82.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.501 1.12 . . . . 0.0 111.824 176.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.11 -45.81 79.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.366 1.066 . . . . 0.0 112.236 172.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 60.5 mtm -62.29 -43.42 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.678 0.672 . . . . 0.0 112.279 174.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.09 69.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.47 -38.17 86.72 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.62 78.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.872 0.869 . . . . 0.0 112.769 177.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -48.38 59.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.635 0.774 . . . . 0.0 110.251 174.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.2 -49.31 78.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.18 -27.4 67.98 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -80.35 -32.82 37.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.626 1.57 . . . . 0.0 112.672 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.36 -38.35 63.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.923 0.889 . . . . 0.0 112.449 176.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -178.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.68 -41.57 99.17 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.248 -0.907 . . . . 0.0 110.531 170.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -66.91 -33.41 75.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.018 0.927 . . . . 0.0 112.796 175.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.49 -47.9 68.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.856 0.862 . . . . 0.0 112.085 173.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -65.14 -31.13 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.807 1.243 . . . . 0.0 112.628 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.34 -28.21 67.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.435 1.094 . . . . 0.0 113.687 168.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.12 52.72 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.464 1.031 . . . . 0.0 115.479 -174.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -101.04 -179.1 3.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.762 1.625 . . . . 0.0 114.239 -174.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.8 175.22 8.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.334 1.454 . . . . 0.0 113.097 -176.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.85 -29.79 67.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -171.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.96 -32.1 73.12 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.669 -0.644 . . . . 0.0 112.624 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -79.78 -27.66 40.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 112.013 175.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.33 -48.16 62.26 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 111.065 169.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.66 67.09 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 0.0 113.258 177.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -17.41 64.45 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -121.65 -25.78 5.03 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.3 -36.34 74.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.786 1.234 . . . . 0.0 112.128 171.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.52 -123.09 29.08 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.915 1.245 . . . . 0.0 114.009 171.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.0 -25.08 67.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.392 1.477 . . . . 0.0 113.168 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -97.51 12.64 32.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.451 1.5 . . . . 0.0 113.672 179.135 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.27 149.54 28.41 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.263 -0.898 . . . . 0.0 111.514 169.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 113.161 -173.26 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -71.43 -41.21 69.79 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.619 1.168 . . . . 0.0 111.623 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.07 -42.5 72.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.61 1.164 . . . . 0.0 112.034 -178.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -63.25 -51.51 65.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.986 0.515 . . . . 0.0 111.675 177.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.76 -43.97 91.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.6 tp -65.73 -40.33 92.06 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.073 -1.017 . . . . 0.0 112.443 176.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -63.06 -43.24 99.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.48 0.712 . . . . 0.0 111.699 173.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -57.66 -47.14 83.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.685 1.194 . . . . 0.0 111.749 174.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.06 -25.51 62.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 p -71.03 -38.06 72.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.372 1.442 . . . . 0.0 112.509 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -65.13 -48.23 74.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.075 2.15 . . . . 0.0 113.012 173.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.66 150.36 48.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 112.656 -175.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.7 t -68.89 158.27 34.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.493 1.517 . . . . 0.0 112.963 177.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -50.03 -40.56 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.312 1.445 . . . . 0.0 112.273 170.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -68.08 -39.36 82.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.324 1.05 . . . . 0.0 112.671 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.51 -39.61 81.15 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.938 0.895 . . . . 0.0 112.458 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.97 -40.48 93.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.589 1.156 . . . . 0.0 112.605 173.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 68.6 mtm -60.92 -45.73 93.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.904 0.774 . . . . 0.0 111.957 170.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.65 65.39 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.86 -37.32 86.97 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.43 1.014 . . . . 0.0 111.925 179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.4 72.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.137 0.975 . . . . 0.0 112.037 176.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -43.44 98.84 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.568 0.747 . . . . 0.0 110.383 177.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -57.05 -56.98 14.79 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.445 1.098 . . . . 0.0 112.74 174.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.47 -27.02 67.47 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -176.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.3 -46.39 60.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.356 1.462 . . . . 0.0 111.831 171.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -68.17 -38.34 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.735 0.814 . . . . 0.0 112.222 -174.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.179 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -38.38 88.04 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.489 1.041 . . . . 0.0 111.378 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -69.24 -37.55 78.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.654 0.782 . . . . 0.0 112.437 175.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.95 -53.45 17.75 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.398 -0.814 . . . . 0.0 112.701 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -61.45 -27.41 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.992 1.717 . . . . 0.0 113.388 -174.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -74.84 -21.85 59.03 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 121.172 -0.955 . . . . 0.0 113.471 172.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.1 -42.77 4.57 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.764 1.173 . . . . 0.0 114.44 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -74.3 163.64 27.57 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 113.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.03 175.14 5.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.561 1.144 . . . . 0.0 113.557 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -58.65 -29.18 66.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -178.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.25 -34.0 76.52 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.318 1.047 . . . . 0.0 112.45 173.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -77.79 -32.13 52.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.696 1.199 . . . . 0.0 111.706 175.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.48 -47.14 77.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.43 0.692 . . . . 0.0 110.869 169.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.22 70.12 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.346 -0.846 . . . . 0.0 113.255 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.14 64.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 pp -119.91 -25.27 5.87 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.02 -34.64 66.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.138 0.975 . . . . 0.0 112.368 170.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.61 -123.9 33.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.893 1.235 . . . . 0.0 113.183 174.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.65 -21.79 65.96 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.77 1.228 . . . . 0.0 113.62 179.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -89.06 1.25 55.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 113.907 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.45 148.74 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.962 -1.086 . . . . 0.0 112.792 178.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 CA--C 1.547 0.833 0 O-C-N 121.243 -0.91 . . . . 0.0 112.765 -174.132 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -72.14 -49.26 37.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.325 1.45 . . . . 0.0 111.056 -175.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.41 -36.11 82.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 178.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.05 -55.69 11.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.995 0.816 . . . . 0.0 111.575 173.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -62.75 -45.47 92.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.041 0.936 . . . . 0.0 112.653 -174.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.97 -40.33 87.43 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.282 -0.886 . . . . 0.0 112.876 178.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 26.9 t -59.49 -46.8 87.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.913 0.885 . . . . 0.0 111.973 173.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -63.51 -49.6 72.89 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.906 1.683 . . . . 0.0 111.721 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.84 -31.62 72.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.099 0.959 . . . . 0.0 112.736 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 14.3 p -70.36 -30.33 67.24 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.506 1.503 . . . . 0.0 113.589 173.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -87.02 -31.99 20.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 113.753 -178.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.27 152.36 45.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.264 1.026 . . . . 0.0 112.764 175.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.0 t -69.38 156.57 38.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.355 1.462 . . . . 0.0 112.541 178.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -53.68 -36.74 62.49 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.849 1.26 . . . . 0.0 112.19 169.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -68.94 -43.52 74.91 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.501 0.72 . . . . 0.0 112.486 175.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.82 -41.18 95.96 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.129 0.972 . . . . 0.0 111.576 176.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.66 -45.05 95.59 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.524 1.13 . . . . 0.0 112.319 176.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 69.4 mtm -60.65 -41.05 94.17 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.548 0.613 . . . . 0.0 111.851 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.97 56.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.62 -35.42 80.75 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.034 0.834 . . . . 0.0 111.552 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.02 84.79 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.5 0.72 . . . . 0.0 112.072 173.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.21 -43.41 98.89 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.134 -0.979 . . . . 0.0 111.057 176.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -61.84 -46.07 91.05 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.964 0.906 . . . . 0.0 112.501 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.0 -23.62 63.17 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.32 0.964 . . . . 0.0 113.135 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -76.83 -32.81 57.82 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.376 1.47 . . . . 0.0 113.007 171.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -74.32 -36.16 63.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.717 1.207 . . . . 0.0 112.854 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 179.614 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.77 -54.2 30.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.072 0.949 . . . . 0.0 110.859 177.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.3 m -67.28 -24.57 65.79 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.58 -51.45 59.63 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.842 0.746 . . . . 0.0 110.867 168.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.66 -30.48 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.12 1.368 . . . . 0.0 112.98 178.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.0 -27.17 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.94 -1.1 . . . . 0.0 113.461 171.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.59 -40.77 5.9 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.466 1.032 . . . . 0.0 115.176 -174.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.96 166.29 23.52 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.302 1.441 . . . . 0.0 113.329 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.06 177.15 4.76 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.068 1.747 . . . . 0.0 113.574 -172.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -58.35 -30.61 66.87 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.09 -35.52 80.74 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.149 -0.969 . . . . 0.0 112.578 172.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -77.3 -30.99 54.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.169 0.988 . . . . 0.0 112.497 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.06 -46.79 70.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.724 0.81 . . . . 0.0 110.542 171.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.93 67.6 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.935 0.894 . . . . 0.0 113.068 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -17.52 64.91 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.0 -26.87 5.07 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.29 -34.15 70.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.248 1.019 . . . . 0.0 111.703 168.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.08 -135.74 45.93 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.226 1.394 . . . . 0.0 113.103 175.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.71 -17.6 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.645 1.178 . . . . 0.0 113.304 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -87.87 -0.58 57.16 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.284 1.434 . . . . 0.0 114.024 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.59 145.56 23.03 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.828 1.251 . . . . 0.0 112.869 176.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 123.898 0.879 . . . . 0.0 112.755 -173.28 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -85.07 -43.1 14.21 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.878 1.671 . . . . 0.0 112.526 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.15 -46.8 66.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.277 1.031 . . . . 0.0 112.603 -168.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.29 -37.56 74.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.632 -0.667 . . . . 0.0 112.013 176.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.39 -48.13 65.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.581 1.152 . . . . 0.0 111.958 -178.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.91 -35.11 79.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.849 0.86 . . . . 0.0 111.773 177.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.7 m -62.94 -40.23 97.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.505 -0.747 . . . . 0.0 112.243 172.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -71.59 -39.48 70.49 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.092 -1.005 . . . . 0.0 112.175 177.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.93 -21.06 64.23 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 119.49 1.041 . . . . 0.0 112.422 171.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.4 t -76.23 -38.31 56.56 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.63 -1.294 . . . . 0.0 112.73 167.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -63.86 -48.88 74.96 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.184 1.394 . . . . 0.0 113.753 174.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.45 156.32 39.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.912 1.285 . . . . 0.0 114.071 -167.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -72.75 158.64 35.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.391 1.476 . . . . 0.0 112.787 175.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -50.47 -43.39 55.4 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.27 1.428 . . . . 0.0 112.536 175.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -64.64 -36.53 84.56 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.318 1.047 . . . . 0.0 113.341 175.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.99 -41.82 73.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.796 0.838 . . . . 0.0 111.345 176.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.31 -39.38 92.85 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.908 0.776 . . . . 0.0 112.578 172.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.7 mtm -59.03 -46.47 88.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.213 0.915 . . . . 0.0 111.612 170.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.68 58.0 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -174.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.44 -37.29 85.32 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.676 1.126 . . . . 0.0 111.791 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.49 74.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.877 0.871 . . . . 0.0 112.146 177.474 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -45.41 83.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.918 0.887 . . . . 0.0 110.778 173.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -57.92 -50.94 71.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.78 1.232 . . . . 0.0 112.735 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.94 -27.69 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.825 0.739 . . . . 0.0 112.601 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -78.95 -33.51 45.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.23 1.012 . . . . 0.0 113.206 174.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.64 -38.45 67.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.583 0.753 . . . . 0.0 111.816 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.503 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.69 -42.48 95.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.74 0.816 . . . . 0.0 111.091 176.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -63.8 -41.04 97.98 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.323 0.649 . . . . 0.0 111.91 176.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -66.47 -51.86 52.29 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.457 -0.777 . . . . 0.0 112.442 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.67 -29.44 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.218 1.407 . . . . 0.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -71.72 -23.17 61.58 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.81 -1.181 . . . . 0.0 113.208 169.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -89.77 -44.98 4.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.989 1.28 . . . . 0.0 114.491 -177.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.36 169.54 17.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.477 1.111 . . . . 0.0 113.642 178.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.73 177.34 6.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.629 1.172 . . . . 0.0 113.597 -172.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.05 -30.76 66.43 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -170.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -66.25 -34.6 78.38 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.262 -0.899 . . . . 0.0 112.478 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.21 -36.28 58.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.887 1.275 . . . . 0.0 111.476 175.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.8 -48.05 80.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.906 . . . . 0.0 110.795 172.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.62 71.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 113.035 176.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.67 65.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.97 -27.61 11.57 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.24 -35.93 63.88 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.56 1.144 . . . . 0.0 112.192 171.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.9 -133.49 46.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.526 1.06 . . . . 0.0 112.921 173.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.28 -17.91 64.08 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.19 4.09 49.76 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.924 1.289 . . . . 0.0 113.653 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.2 147.19 25.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.113 -0.992 . . . . 0.0 112.769 176.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.9 tp . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.318 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -28.06 43.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.34 -50.85 8.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.286 1.034 . . . . 0.0 112.672 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -71.33 -41.56 69.67 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.712 -0.618 . . . . 0.0 112.457 -174.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.75 -48.69 79.56 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.573 -0.705 . . . . 0.0 111.606 177.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.74 -32.63 74.4 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.659 -0.651 . . . . 0.0 111.976 176.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 41.5 t -63.7 -39.41 94.24 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.972 0.909 . . . . 0.0 112.964 173.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -65.56 -49.63 68.13 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.744 1.157 . . . . 0.0 110.178 170.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.557 1.143 . . . . 0.0 113.337 -174.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.0 p -75.67 -30.89 59.54 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.02 1.282 . . . . 0.0 113.625 171.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -87.24 -33.94 19.13 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.731 1.613 . . . . 0.0 114.452 -176.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.8 150.72 48.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.065 1.346 . . . . 0.0 112.694 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 41.2 t -68.93 155.04 40.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.939 1.296 . . . . 0.0 111.714 174.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.78 -33.72 68.82 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.933 -1.104 . . . . 0.0 112.373 175.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -63.08 -42.0 99.54 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.943 0.897 . . . . 0.0 112.52 170.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.78 -40.34 88.14 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.977 0.911 . . . . 0.0 112.235 174.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.11 -42.9 99.66 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.662 0.665 . . . . 0.0 112.254 174.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.2 -46.0 79.62 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.659 0.663 . . . . 0.0 111.843 170.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.82 -42.23 61.19 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -174.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -39.28 91.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.337 1.055 . . . . 0.0 112.367 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -46.23 86.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.774 0.829 . . . . 0.0 110.981 175.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -62.19 -46.4 89.11 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.681 0.792 . . . . 0.0 112.942 179.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -22.38 63.51 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 177.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.61 -38.48 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.097 0.959 . . . . 0.0 112.322 171.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.33 -31.47 72.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.166 0.987 . . . . 0.0 113.126 -177.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 0.0 113.061 174.366 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.06 -39.32 85.58 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.497 1.119 . . . . 0.0 111.847 177.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -64.81 -31.38 72.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.217 1.007 . . . . 0.0 112.731 176.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.78 -46.94 23.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.942 0.897 . . . . 0.0 111.605 176.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.06 -32.78 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.892 1.277 . . . . 0.0 112.992 178.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.34 -18.18 60.06 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.01 0.924 . . . . 0.0 113.35 171.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -39.94 5.9 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.388 1.47 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.14 174.84 8.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.646 1.178 . . . . 0.0 113.534 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.77 177.04 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.92 1.288 . . . . 0.0 113.398 -175.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.29 -30.02 66.3 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.384 1.474 . . . . 0.0 114.305 -172.326 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.89 -32.05 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.999 0.92 . . . . 0.0 112.387 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.97 -39.07 30.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.271 1.028 . . . . 0.0 111.4 173.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.62 -45.31 94.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.306 0.642 . . . . 0.0 111.292 176.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.16 73.68 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 176.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.87 77.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.484 0.584 . . . . 0.0 112.535 175.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.4 -30.23 19.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.41 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.36 -38.27 30.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.219 1.007 . . . . 0.0 112.03 171.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.85 -124.15 30.07 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.421 0.534 . . . . 0.0 112.358 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.2 -25.32 66.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.77 1.228 . . . . 0.0 113.242 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -83.82 -0.76 52.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 177.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.25 137.96 58.38 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.146 -0.971 . . . . 0.0 112.292 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.12 0.968 . . . . 0.0 112.276 -176.785 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.09 -38.4 82.28 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.66 1.184 . . . . 0.0 113.057 178.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -68.43 -47.37 67.4 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.637 1.175 . . . . 0.0 111.261 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -60.87 -51.62 68.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.418 1.087 . . . . 0.0 111.516 176.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.36 -53.22 38.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.304 1.042 . . . . 0.0 112.627 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.59 -35.54 81.11 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.506 -0.746 . . . . 0.0 112.264 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -63.72 -47.7 80.04 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.608 -0.683 . . . . 0.0 112.108 177.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -69.34 -37.88 77.9 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.596 1.089 . . . . 0.0 113.509 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.47 -27.96 68.95 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.865 0.757 . . . . 0.0 112.796 176.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -70.42 -29.7 66.38 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.587 1.085 . . . . 0.0 113.508 172.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -81.14 -33.72 32.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.588 1.555 . . . . 0.0 112.818 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.32 149.74 49.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.205 1.402 . . . . 0.0 112.445 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 t -65.27 156.45 31.92 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.852 1.261 . . . . 0.0 112.312 174.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -57.16 -32.38 66.35 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.043 -1.036 . . . . 0.0 112.268 167.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -64.09 -44.81 91.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.354 0.662 . . . . 0.0 111.979 171.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.69 -36.8 76.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.969 0.908 . . . . 0.0 111.928 178.038 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.27 -43.64 98.55 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.501 1.12 . . . . 0.0 112.111 173.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mtm -59.83 -47.21 86.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.241 0.473 . . . . 0.0 111.776 169.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.44 77.76 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.22 -38.91 89.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.058 0.845 . . . . 0.0 111.74 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.24 87.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.587 0.755 . . . . 0.0 111.963 177.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.37 -45.71 89.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.605 0.762 . . . . 0.0 111.206 177.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -61.92 -46.39 89.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.559 0.744 . . . . 0.0 112.582 177.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.53 -25.69 63.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.133 0.879 . . . . 0.0 113.324 177.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.02 -34.16 64.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.601 1.16 . . . . 0.0 112.649 172.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.33 -37.21 74.64 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.396 1.078 . . . . 0.0 112.528 -179.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.732 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.99 -48.49 76.19 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.568 0.747 . . . . 0.0 110.914 176.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -63.73 -31.27 72.4 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 112.864 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -69.33 -53.9 17.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.66 0.784 . . . . 0.0 111.661 173.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.4 mm -60.43 -31.29 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.483 1.513 . . . . 0.0 113.074 177.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -70.42 -21.93 62.78 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.687 1.195 . . . . 0.0 113.579 171.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.87 -42.53 4.09 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.234 1.397 . . . . 0.0 115.085 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.52 173.79 10.53 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.941 1.296 . . . . 0.0 113.828 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.63 178.56 5.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.922 1.289 . . . . 0.0 113.574 -173.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -60.01 -32.08 70.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.868 1.267 . . . . 0.0 114.39 -168.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -66.01 -33.71 76.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.522 0.729 . . . . 0.0 112.368 174.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -76.74 -38.12 54.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.127 174.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.25 -47.79 84.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.968 0.907 . . . . 0.0 110.963 174.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.79 81.68 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.43 84.66 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -32.93 30.97 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.678 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.0 -49.16 48.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.524 1.056 . . . . 0.0 111.169 168.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.86 97.4 0.07 OUTLIER Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.086 1.327 . . . . 0.0 113.02 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 62.3 -27.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 128.379 2.672 . . . . 0.0 116.325 -177.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.77 1.86 32.64 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 113.904 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.72 151.68 10.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.913 1.685 . . . . 0.0 112.278 170.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 124.229 1.012 . . . . 0.0 113.03 -171.285 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -61.7 -53.27 58.35 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.886 1.274 . . . . 0.0 111.314 177.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.14 -36.72 80.14 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.709 1.604 . . . . 0.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.07 -55.49 10.61 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.093 -1.004 . . . . 0.0 112.346 174.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.21 -50.75 66.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.139 -175.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.97 -38.85 92.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.174 0.897 . . . . 0.0 112.332 -178.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 34.9 t -67.36 -43.84 80.45 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.74 -44.03 97.7 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.958 -1.089 . . . . 0.0 111.204 174.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.79 -34.24 75.55 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.658 0.783 . . . . 0.0 112.736 174.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 t -67.45 -37.77 83.46 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.14 0.882 . . . . 0.0 113.027 171.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -73.62 -26.35 60.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 176.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.63 149.47 38.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.992 1.317 . . . . 0.0 112.507 176.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.4 t -70.81 161.2 31.36 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.981 1.312 . . . . 0.0 112.916 175.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -50.15 -40.91 48.0 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.427 1.491 . . . . 0.0 112.272 169.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.6 -42.64 91.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.426 1.09 . . . . 0.0 112.111 177.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -69.22 -37.51 78.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.94 1.296 . . . . 0.0 112.444 175.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.47 -44.09 97.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 174.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.91 -42.17 99.7 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.975 -0.453 . . . . 0.0 111.954 171.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.97 70.21 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.161 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.06 -38.0 89.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.657 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.33 84.8 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.278 1.031 . . . . 0.0 112.188 178.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.45 -46.3 83.73 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.661 0.784 . . . . 0.0 110.984 175.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.86 -48.46 81.62 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.78 -26.24 66.86 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.86 0.754 . . . . 0.0 112.706 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -76.23 -37.27 57.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.48 -36.35 80.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.625 0.77 . . . . 0.0 112.023 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.409 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 CA-C-O 118.819 -0.99 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -62.52 -24.17 75.2 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.751 2.967 . . . . 0.0 115.372 -178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.62 177.31 46.79 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.189 1.376 . . . . 0.0 112.68 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -152.81 160.85 43.11 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.792 1.237 . . . . 0.0 112.319 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -77.56 -16.02 58.89 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.723 1.209 . . . . 0.0 114.205 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.1 158.39 0.12 Allowed Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 128.185 2.594 . . . . 0.0 114.777 -168.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.56 151.17 86.27 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.298 2.665 . . . . 0.0 113.532 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -77.92 -21.56 50.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.963 0.905 . . . . 0.0 113.046 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -104.71 18.06 22.97 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.938 1.695 . . . . 0.0 114.439 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.0 p -60.57 157.57 14.08 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 121.313 -0.867 . . . . 0.0 111.709 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.8 -34.91 75.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.586 -0.696 . . . . 0.0 111.439 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.98 -53.13 51.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.968 1.307 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -68.4 -27.42 66.2 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.69 -53.49 21.95 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.805 0.73 . . . . 0.0 112.237 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.4 -30.94 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.613 1.565 . . . . 0.0 113.07 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -70.67 -18.54 62.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.407 1.083 . . . . 0.0 113.7 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.63 -43.27 2.95 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.806 1.193 . . . . 0.0 114.85 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.51 160.16 32.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.85 172.16 7.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.443 1.097 . . . . 0.0 113.789 -171.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -59.71 -29.93 68.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -66.18 -33.04 74.87 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -75.39 -32.97 60.97 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 0.0 111.453 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.24 -46.55 73.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.815 0.846 . . . . 0.0 110.889 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.28 72.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.681 0.793 . . . . 0.0 112.77 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.82 -17.87 64.94 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.6 -25.75 7.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.6 -37.15 56.93 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.152 0.887 . . . . 0.0 112.426 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.43 -124.06 33.79 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.618 1.104 . . . . 0.0 113.768 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -60.21 -31.48 70.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.438 1.095 . . . . 0.0 112.923 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -80.34 1.71 27.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.909 1.284 . . . . 0.0 114.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.17 146.01 49.09 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.003 -1.06 . . . . 0.0 111.196 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -69.69 150.52 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.651 0.78 . . . . 0.0 112.883 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -118.03 22.33 12.29 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.751 1.62 . . . . 0.0 112.428 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -113.04 169.5 8.88 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.847 1.659 . . . . 0.0 113.726 -165.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.17 -120.0 12.76 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.118 0.866 . . . . 0.0 111.802 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.74 9.01 6.7 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.294 0.95 . . . . 0.0 115.111 168.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.06 -1.87 59.52 Favored Glycine 0 CA--C 1.54 1.647 0 C-N-CA 126.548 2.023 . . . . 0.0 114.322 -175.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.5 m -141.83 9.95 1.98 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.425 1.49 . . . . 0.0 114.367 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.18 -165.69 54.75 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.183 0.897 . . . . 0.0 114.737 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.88 168.4 31.73 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.941 1.257 . . . . 0.0 113.746 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.57 150.92 51.22 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.654 1.121 . . . . 0.0 114.454 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.3 p -159.43 162.78 35.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.537 1.935 . . . . 0.0 110.334 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.62 -37.78 1.1 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 170.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.33 -174.84 37.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.926 0.774 . . . . 0.0 114.57 -174.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 -165.83 12.31 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.773 1.177 . . . . 0.0 115.237 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -146.75 165.77 28.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.487 1.915 . . . . 0.0 111.24 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -152.18 158.37 42.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.697 1.199 . . . . 0.0 112.613 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.34 156.85 0.05 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 127.372 2.269 . . . . 0.0 114.966 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.42 151.37 87.73 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.523 1.129 . . . . 0.0 111.972 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -69.99 166.72 26.93 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.937 3.091 . . . . 0.0 112.015 170.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -68.39 155.64 39.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.369 1.067 . . . . 0.0 111.906 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -66.34 -32.5 73.94 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 m -81.43 144.04 31.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.312 1.445 . . . . 0.0 112.649 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 56.31 -168.6 0.1 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.741 2.017 . . . . 0.0 114.972 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.15 -32.14 0.09 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.971 1.272 . . . . 0.0 113.778 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -61.05 -28.71 69.26 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.261 1.424 . . . . 0.0 113.904 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -77.7 -45.2 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.35 1.46 . . . . 0.0 112.281 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.78 -45.21 68.52 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.882 0.873 . . . . 0.0 112.202 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.35 -40.0 89.53 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.016 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -65.52 -50.76 64.03 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.921 1.289 . . . . 0.0 111.328 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.95 -37.03 85.42 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.63 -0.669 . . . . 0.0 112.003 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 t -62.37 -45.37 93.47 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.024 0.929 . . . . 0.0 112.586 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -61.85 -55.59 28.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.769 0.713 . . . . 0.0 110.971 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.45 -38.08 68.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -59.88 -27.16 66.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -99.56 -5.39 29.24 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.41 153.76 33.32 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 112.405 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -66.87 155.48 38.25 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 110.902 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -58.16 -36.27 72.77 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 120.726 -1.234 . . . . 0.0 112.095 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -61.18 -41.41 96.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.545 0.612 . . . . 0.0 112.13 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.09 -42.66 80.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.578 1.151 . . . . 0.0 112.226 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.42 -42.96 93.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.192 0.997 . . . . 0.0 112.817 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.84 -42.79 94.64 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.38 72.76 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.38 -37.6 88.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.723 1.147 . . . . 0.0 111.375 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.69 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.153 0.981 . . . . 0.0 112.109 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.82 -44.91 94.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.446 1.098 . . . . 0.0 111.125 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.55 -47.19 87.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.934 0.894 . . . . 0.0 112.935 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.22 -22.51 61.25 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -73.65 -39.61 64.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.777 1.231 . . . . 0.0 112.012 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.48 -36.39 83.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.868 0.867 . . . . 0.0 112.689 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.55 -30.3 27.16 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.62 -31.55 63.6 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.962 1.255 . . . . 0.0 113.277 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -10.15 59.35 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -110.37 6.69 22.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.277 1.431 . . . . 0.0 114.392 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -67.74 149.81 49.47 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.991 -1.068 . . . . 0.0 112.557 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 C-N-CA 125.362 1.458 . . . . 0.0 112.65 -179.211 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.834 -0.507 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.89 -28.21 20.09 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.876 3.05 . . . . 0.0 114.029 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.69 177.39 29.79 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.74 1.162 . . . . 0.0 114.626 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.0 t -70.27 159.21 34.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.739 1.216 . . . . 0.0 112.431 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -63.33 -22.66 67.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.208 1.003 . . . . 0.0 112.987 166.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.89 164.21 0.11 Allowed Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 128.042 2.537 . . . . 0.0 115.893 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.45 158.79 34.45 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.777 2.985 . . . . 0.0 114.069 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 pp -125.05 -21.99 4.54 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -74.45 -16.65 60.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.669 1.187 . . . . 0.0 113.128 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 36.9 p -65.51 -19.56 65.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.772 1.229 . . . . 0.0 113.456 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -68.8 -35.18 76.71 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.76 -45.07 94.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.588 0.755 . . . . 0.0 110.588 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.3 m -62.81 -30.66 71.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.093 0.957 . . . . 0.0 112.927 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -69.5 -49.33 55.64 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.943 0.897 . . . . 0.0 111.916 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.06 -33.93 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.431 1.093 . . . . 0.0 112.407 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.58 -22.67 66.13 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.301 1.041 . . . . 0.0 113.713 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.06 -38.11 5.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.736 1.16 . . . . 0.0 114.957 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.37 174.74 9.85 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.298 1.439 . . . . 0.0 113.564 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 176.39 7.87 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -61.1 -25.04 66.69 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.58 -33.77 76.7 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.553 1.141 . . . . 0.0 112.22 171.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.85 -38.87 31.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.906 1.283 . . . . 0.0 111.821 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.83 -47.94 76.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.407 0.683 . . . . 0.0 111.932 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.02 71.16 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.815 0.734 . . . . 0.0 112.723 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.27 62.71 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.09 -29.57 7.55 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.53 -36.03 52.8 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.374 1.07 . . . . 0.0 112.281 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.75 -121.48 26.0 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.492 1.044 . . . . 0.0 113.095 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -58.25 -38.78 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.372 1.069 . . . . 0.0 112.581 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.84 3.82 21.29 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.67 148.7 37.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.484 -0.76 . . . . 0.0 111.269 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp -65.3 148.92 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.256 1.022 . . . . 0.0 112.319 -172.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.85 24.11 10.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.108 1.363 . . . . 0.0 114.368 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 59.38 -176.1 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 114.297 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 131.68 -11.56 5.44 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.859 1.695 . . . . 0.0 114.977 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.58 -13.83 83.08 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 118.366 1.083 . . . . 0.0 115.372 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.33 -156.95 53.56 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-N 118.628 1.214 . . . . 0.0 114.057 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 49.0 m -141.18 159.83 41.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.689 1.595 . . . . 0.0 112.058 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.69 -166.49 26.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.687 1.137 . . . . 0.0 113.727 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -166.71 -176.72 38.01 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.639 1.114 . . . . 0.0 113.711 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.74 157.36 27.04 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.928 1.252 . . . . 0.0 113.304 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 89.9 p -76.97 -24.79 52.29 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 71.33 7.81 64.56 Favored Glycine 0 CA--C 1.547 2.032 0 C-N-CA 124.401 1.0 . . . . 0.0 114.435 -170.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.4 -175.05 49.47 Favored Glycine 0 CA--C 1.539 1.535 0 CA-C-N 118.797 1.298 . . . . 0.0 114.803 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 79.48 163.85 27.25 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.033 1.302 . . . . 0.0 114.822 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 56.7 m -147.23 153.87 40.33 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.696 1.599 . . . . 0.0 112.169 -175.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 48.7 tpp -69.26 130.28 42.18 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.571 0.748 . . . . 0.0 111.521 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.47 36.36 3.62 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.826 1.65 . . . . 0.0 111.91 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm 65.46 142.01 0.07 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 129.098 2.959 . . . . 0.0 113.596 -162.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.71 164.06 36.83 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.71 2.94 . . . . 0.0 113.114 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 15.3 t -147.3 153.04 39.25 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.595 1.558 . . . . 0.0 111.585 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 46.8 m -147.91 157.63 43.63 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.855 1.262 . . . . 0.0 112.649 -164.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 88.7 p -153.85 138.06 16.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.545 1.138 . . . . 0.0 111.825 168.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 60.14 -17.46 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.739 2.416 . . . . 0.0 117.156 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.4 -43.37 3.03 Favored Glycine 0 N--CA 1.471 0.969 0 C-N-CA 126.975 2.226 . . . . 0.0 115.129 172.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -61.29 -39.59 91.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.973 0.887 . . . . 0.0 112.483 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -70.75 -37.35 73.43 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.319 1.047 . . . . 0.0 112.063 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -74.66 -40.24 61.57 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.199 0.999 . . . . 0.0 112.153 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -62.94 -49.3 75.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.012 0.925 . . . . 0.0 111.067 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.61 -52.05 29.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.889 0.876 . . . . 0.0 112.934 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.0 -28.2 68.05 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 42.1 t -60.82 -45.69 93.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.749 0.82 . . . . 0.0 112.139 172.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -63.77 -46.85 83.39 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.092 0.957 . . . . 0.0 110.81 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.88 -38.11 75.18 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.252 1.021 . . . . 0.0 112.465 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.2 t -71.1 -40.24 71.63 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.495 1.118 . . . . 0.0 112.947 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -64.33 -38.41 90.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.912 1.285 . . . . 0.0 113.142 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 151.22 41.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.401 1.48 . . . . 0.0 114.327 -173.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.6 t -68.29 160.54 29.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.853 1.661 . . . . 0.0 112.201 170.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.89 -36.43 70.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.406 1.082 . . . . 0.0 112.511 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -61.99 -42.98 99.74 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.797 -0.564 . . . . 0.0 112.139 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -70.54 -36.24 73.58 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.008 0.923 . . . . 0.0 112.649 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.14 -41.38 96.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.433 1.093 . . . . 0.0 111.978 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.95 -42.55 97.28 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.12 81.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -35.84 79.49 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.446 -0.784 . . . . 0.0 112.059 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.41 91.64 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.674 0.789 . . . . 0.0 112.064 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.46 -44.83 89.85 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.695 0.798 . . . . 0.0 110.629 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -56.72 -52.66 64.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.298 1.039 . . . . 0.0 112.943 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.3 -27.13 67.68 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.936 0.789 . . . . 0.0 112.984 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.01 -38.21 57.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.582 1.153 . . . . 0.0 112.474 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.69 -38.85 73.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.852 0.861 . . . . 0.0 112.503 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -77.39 -33.27 55.18 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -70.38 -32.1 69.62 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.891 1.223 . . . . 0.0 113.517 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.58 -10.37 59.71 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -106.41 -0.09 24.45 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.86 154.11 34.13 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.012 -1.055 . . . . 0.0 112.142 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.185 0 C-N-CA 125.817 1.675 . . . . 0.0 114.007 178.099 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.37 0 CA-C-O 118.579 -1.123 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -59.1 144.74 99.25 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.732 2.954 . . . . 0.0 114.111 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.22 166.74 24.68 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.389 0.995 . . . . 0.0 113.382 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 t -72.72 150.93 42.46 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.167 0.987 . . . . 0.0 112.881 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -78.77 -10.65 59.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.216 1.406 . . . . 0.0 113.542 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.38 159.02 0.12 Allowed Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 128.21 2.604 . . . . 0.0 115.091 -172.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -62.7 155.33 59.77 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.543 2.829 . . . . 0.0 114.599 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -128.17 -7.43 5.38 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.575 1.55 . . . . 0.0 113.333 171.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -133.73 14.33 4.02 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.804 2.042 . . . . 0.0 113.125 -173.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -62.03 150.14 38.98 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.111 1.364 . . . . 0.0 112.274 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -55.35 -37.61 67.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.199 1.4 . . . . 0.0 112.808 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.25 -26.1 67.2 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.656 0.782 . . . . 0.0 112.647 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.0 t -85.44 -44.33 12.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.438 1.095 . . . . 0.0 111.671 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -64.55 -47.63 78.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.477 1.111 . . . . 0.0 113.013 -176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -67.96 -24.17 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.464 1.506 . . . . 0.0 112.307 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.0 -23.66 33.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.149 0.98 . . . . 0.0 113.526 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 -37.05 25.82 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.565 1.079 . . . . 0.0 114.169 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.72 177.26 6.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.113 1.365 . . . . 0.0 113.35 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.93 176.31 7.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.698 1.199 . . . . 0.0 113.82 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.68 -28.66 67.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.142 1.377 . . . . 0.0 114.266 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.02 -37.22 86.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.425 -0.797 . . . . 0.0 112.176 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -73.62 -38.06 65.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.093 0.957 . . . . 0.0 111.664 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.03 -48.16 83.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.286 0.634 . . . . 0.0 111.083 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.94 77.27 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.921 0.782 . . . . 0.0 112.903 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.92 89.13 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.49 -30.44 18.26 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.137 0.975 . . . . 0.0 112.657 171.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 -124.11 34.22 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.904 0.764 . . . . 0.0 112.504 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -57.87 -33.72 68.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.073 0.949 . . . . 0.0 112.646 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.09 2.13 18.9 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.25 139.75 56.66 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.06 -1.025 . . . . 0.0 111.19 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 tp -64.62 149.53 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.215 1.006 . . . . 0.0 113.038 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -115.92 16.49 16.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.323 1.449 . . . . 0.0 113.539 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -77.35 154.42 32.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.592 1.557 . . . . 0.0 113.353 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -25.31 73.29 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 123.889 0.757 . . . . 0.0 114.83 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.03 -172.27 33.8 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.164 1.364 . . . . 0.0 114.783 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.23 153.26 10.02 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.259 0.933 . . . . 0.0 114.12 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.2 m -115.62 5.5 14.34 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.74 1.616 . . . . 0.0 113.314 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 166.94 53.53 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.865 1.221 . . . . 0.0 114.244 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.46 172.35 34.76 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.635 1.112 . . . . 0.0 114.322 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.3 -176.32 43.36 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.373 0.987 . . . . 0.0 113.526 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m 61.93 169.3 0.12 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.585 1.954 . . . . 0.0 115.075 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.23 -155.78 26.38 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.087 1.327 . . . . 0.0 112.749 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.43 152.94 22.7 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.419 1.009 . . . . 0.0 113.133 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.56 -176.52 41.7 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.803 1.192 . . . . 0.0 113.387 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 t -68.39 -33.07 73.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.231 1.012 . . . . 0.0 113.169 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 81.3 mtp 58.8 13.32 2.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.643 1.977 . . . . 0.0 115.341 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -150.91 102.77 3.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.391 1.476 . . . . 0.0 110.712 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -68.39 148.85 98.2 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 123.96 0.904 . . . . 0.0 111.892 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.75 140.22 60.8 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.367 2.711 . . . . 0.0 113.288 -170.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 -14.71 54.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.457 1.503 . . . . 0.0 113.385 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -138.61 164.3 29.83 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.646 1.578 . . . . 0.0 111.702 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t 60.89 -176.53 0.11 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.941 1.697 . . . . 0.0 113.003 -167.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -66.14 134.1 52.08 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.726 -1.234 . . . . 0.0 112.688 -176.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.42 5.09 0.14 Allowed Glycine 0 CA--C 1.533 1.174 0 N-CA-C 115.727 1.051 . . . . 0.0 115.727 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.12 1.768 . . . . 0.0 113.987 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -84.75 -39.1 18.86 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.994 1.717 . . . . 0.0 112.309 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -73.23 -48.35 35.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.144 1.778 . . . . 0.0 113.019 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -72.91 -29.27 63.01 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.374 -0.828 . . . . 0.0 112.817 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.9 -52.62 18.94 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.87 1.668 . . . . 0.0 111.189 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.53 -35.67 80.15 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.532 -0.73 . . . . 0.0 112.368 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.1 t -61.34 -33.9 74.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.41 1.084 . . . . 0.0 113.227 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.08 -47.84 26.81 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.85 -1.156 . . . . 0.0 112.072 171.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.04 -29.75 69.91 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -69.84 -27.68 65.06 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.864 1.211 . . . . 0.0 113.313 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -87.44 -36.82 17.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.53 1.532 . . . . 0.0 113.518 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.0 151.12 43.72 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.899 1.28 . . . . 0.0 111.988 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 p -73.27 165.69 24.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.95 0.9 . . . . 0.0 113.368 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.43 -37.41 65.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.287 1.435 . . . . 0.0 112.795 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -70.98 -44.8 65.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.636 0.774 . . . . 0.0 112.449 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.05 -38.75 91.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.157 0.983 . . . . 0.0 111.856 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.39 -44.73 92.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.4 mtm -62.24 -43.35 99.02 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.672 0.669 . . . . 0.0 112.037 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.94 70.86 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.68 -40.25 95.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.114 0.87 . . . . 0.0 111.099 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.92 87.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.464 1.106 . . . . 0.0 112.401 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.94 -46.71 89.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.789 0.722 . . . . 0.0 110.952 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.42 -49.83 76.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.469 0.708 . . . . 0.0 112.623 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.59 -24.54 61.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -74.76 -38.32 62.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.734 1.213 . . . . 0.0 112.477 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -66.82 -36.47 82.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.453 1.101 . . . . 0.0 112.867 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -82.65 -30.55 29.28 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.89 -32.62 63.67 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.227 1.376 . . . . 0.0 112.941 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.17 -9.41 58.59 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -108.55 3.13 22.69 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.354 1.462 . . . . 0.0 114.072 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -73.36 157.5 36.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.095 -1.003 . . . . 0.0 112.18 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.43 0 C-N-CA 125.313 1.435 . . . . 0.0 113.781 178.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 CA-C-O 118.748 -1.029 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -67.13 161.97 40.42 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.64 2.893 . . . . 0.0 112.716 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.64 -161.31 27.12 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.646 1.117 . . . . 0.0 113.212 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 41.9 t -147.25 149.23 32.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.838 1.255 . . . . 0.0 112.393 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -75.0 -11.1 60.03 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.05 1.34 . . . . 0.0 113.798 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 65.49 149.63 0.11 Allowed Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 128.49 2.716 . . . . 0.0 114.646 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.46 146.8 86.09 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.546 2.83 . . . . 0.0 114.321 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.47 -30.95 11.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.131 1.372 . . . . 0.0 111.206 159.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -82.13 52.7 2.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.335 2.654 . . . . 0.0 110.642 169.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -61.68 166.03 4.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.383 1.473 . . . . 0.0 113.318 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -58.36 -41.74 85.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.528 1.131 . . . . 0.0 111.281 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.03 -42.99 93.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.136 0.975 . . . . 0.0 111.6 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -62.03 -41.68 98.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.147 0.979 . . . . 0.0 112.018 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.87 -48.07 67.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.748 0.819 . . . . 0.0 112.362 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.0 mm -64.56 -29.61 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.699 1.2 . . . . 0.0 113.041 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.78 -22.26 46.62 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.87 -36.3 11.68 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.714 1.149 . . . . 0.0 114.218 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.1 pp -75.4 176.19 7.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 0.0 113.51 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.09 174.37 8.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.956 1.302 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.44 -29.08 67.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.98 -34.82 79.34 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.252 1.021 . . . . 0.0 112.885 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.98 -36.8 62.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.052 0.941 . . . . 0.0 111.904 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.42 -47.88 84.16 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.019 0.528 . . . . 0.0 110.678 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.87 75.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.7 66.68 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -28.23 10.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.7 -38.96 37.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.851 1.26 . . . . 0.0 112.483 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.13 -120.41 22.52 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.059 1.314 . . . . 0.0 113.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.52 -29.95 69.44 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.256 1.022 . . . . 0.0 113.288 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -88.93 5.25 44.94 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.8 149.95 29.65 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.044 -1.035 . . . . 0.0 111.838 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.0 tp -63.07 143.72 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.273 0.629 . . . . 0.0 112.376 -172.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -112.84 32.35 5.74 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.153 1.381 . . . . 0.0 112.498 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -132.35 152.16 51.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.317 1.847 . . . . 0.0 111.617 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -76.69 175.74 53.17 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.419 1.009 . . . . 0.0 113.718 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.09 -23.97 76.0 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 124.28 0.943 . . . . 0.0 114.766 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.64 57.83 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 116.518 1.367 . . . . 0.0 116.518 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 33.4 t -156.81 154.36 29.76 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.017 1.409 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.05 -5.18 84.68 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.617 1.103 . . . . 0.0 115.162 173.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.67 -165.26 27.73 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 118.644 1.222 . . . . 0.0 113.757 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.99 177.93 46.32 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.19 0.9 . . . . 0.0 114.258 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -154.04 145.8 23.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.369 1.468 . . . . 0.0 112.294 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.57 1.67 88.19 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.096 1.331 . . . . 0.0 114.697 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -71.39 -160.03 3.85 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 125.229 1.395 . . . . 0.0 115.771 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.51 -168.4 54.4 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.386 0.993 . . . . 0.0 114.781 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 9.1 m 59.49 22.3 10.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.193 1.797 . . . . 0.0 115.366 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 25.9 ptp -72.05 157.99 36.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.623 1.569 . . . . 0.0 114.346 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 58.91 19.0 6.65 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.811 2.045 . . . . 0.0 116.386 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -70.44 155.21 93.77 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.135 1.374 . . . . 0.0 113.373 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.15 150.76 87.69 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.707 2.938 . . . . 0.0 111.883 157.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 41.8 p -85.52 154.21 21.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.163 0.985 . . . . 0.0 112.278 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 6.8 t -76.01 -173.46 2.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.675 1.19 . . . . 0.0 111.658 168.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 31.8 t -58.11 -32.98 68.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.213 1.405 . . . . 0.0 113.947 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -148.65 151.93 35.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 111.283 170.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -67.92 -22.73 74.1 Favored Glycine 0 CA--C 1.539 1.539 0 N-CA-C 115.861 1.105 . . . . 0.0 115.861 -166.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -62.09 -30.48 71.03 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.097 1.449 . . . . 0.0 112.212 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -63.43 -52.59 60.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.811 1.244 . . . . 0.0 110.887 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.73 -43.8 98.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.528 1.131 . . . . 0.0 112.524 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -65.48 -48.56 72.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.536 0.734 . . . . 0.0 112.473 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.69 -45.22 79.53 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.409 0.684 . . . . 0.0 111.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.47 -39.21 88.67 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.699 -0.626 . . . . 0.0 112.2 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 44.3 t -63.87 -44.58 92.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.548 0.739 . . . . 0.0 112.385 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -60.17 -45.93 91.42 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.449 -0.782 . . . . 0.0 111.958 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.94 -19.13 63.39 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 44.6 t -71.16 -41.86 69.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.313 -1.492 . . . . 0.0 112.054 166.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -78.16 -36.15 48.0 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.31 153.68 40.43 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.1 0.96 . . . . 0.0 112.933 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 29.7 t -67.34 154.74 40.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.814 1.246 . . . . 0.0 112.201 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -56.09 -35.13 66.68 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.786 -1.196 . . . . 0.0 112.13 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.81 -38.52 89.2 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.31 -0.869 . . . . 0.0 112.844 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.49 -40.11 77.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.16 -43.75 92.09 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.245 1.418 . . . . 0.0 112.082 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 66.3 mtm -60.02 -46.26 90.07 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.312 0.645 . . . . 0.0 111.56 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.61 67.83 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.33 -38.82 91.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.527 1.058 . . . . 0.0 111.461 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.13 89.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.665 1.186 . . . . 0.0 112.363 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -47.7 68.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.871 0.868 . . . . 0.0 110.863 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -62.25 -46.12 90.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 0.0 112.705 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.83 -28.17 68.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.07 0.85 . . . . 0.0 112.953 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -75.94 -36.14 59.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.168 1.387 . . . . 0.0 112.581 172.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -71.73 -39.59 69.99 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.351 1.06 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -77.61 -27.2 51.13 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.75 -29.42 58.84 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.593 1.088 . . . . 0.0 113.279 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -82.01 -13.38 57.47 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -95.73 3.0 54.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.758 1.223 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -66.34 154.97 38.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.212 1.005 . . . . 0.0 112.237 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.915 178.107 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -68.58 160.24 50.2 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 124.082 3.188 . . . . 0.0 112.952 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.06 -165.71 24.05 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.317 0.961 . . . . 0.0 113.441 170.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -60.38 130.0 44.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.019 0.927 . . . . 0.0 111.858 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.9 -23.98 61.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -171.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.93 148.73 0.1 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 127.936 2.494 . . . . 0.0 114.867 -170.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.98 150.02 66.29 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.822 2.348 . . . . 0.0 112.974 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -134.98 -8.62 2.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.854 1.661 . . . . 0.0 113.651 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -134.45 19.7 3.64 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.889 2.076 . . . . 0.0 112.717 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -62.7 146.9 51.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.586 1.155 . . . . 0.0 112.625 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.19 -24.52 67.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.439 1.095 . . . . 0.0 113.129 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.88 -40.17 96.69 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.544 -1.348 . . . . 0.0 111.285 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -69.48 -33.25 72.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.948 0.899 . . . . 0.0 112.847 174.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -69.31 -47.6 64.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.782 0.833 . . . . 0.0 111.821 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -66.01 -31.18 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.164 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -68.95 -29.32 67.53 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.194 0.998 . . . . 0.0 113.513 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -31.28 10.86 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.56 178.33 4.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.217 1.407 . . . . 0.0 114.309 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 169.75 9.5 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.613 1.165 . . . . 0.0 112.882 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.52 -26.74 67.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -173.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.66 -34.34 77.62 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.238 1.015 . . . . 0.0 112.095 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.72 -34.7 62.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.444 1.097 . . . . 0.0 112.275 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.55 -49.48 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.33 72.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.98 65.34 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.1 -27.29 7.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.97 -39.25 66.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.202 0.91 . . . . 0.0 111.509 168.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.54 -121.97 26.44 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.91 1.243 . . . . 0.0 113.077 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.92 -26.14 65.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.04 1.336 . . . . 0.0 113.742 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -93.24 3.69 55.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.145 1.378 . . . . 0.0 114.374 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -57.12 145.14 32.09 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.961 -1.087 . . . . 0.0 112.552 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp -56.03 141.72 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -168.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -97.37 48.25 1.04 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.434 1.093 . . . . 0.0 111.064 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 59.62 171.78 0.08 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.664 1.985 . . . . 0.0 114.266 -168.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.11 77.14 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.968 1.271 . . . . 0.0 115.762 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.88 150.42 51.94 Favored Glycine 0 CA--C 1.537 1.442 0 CA-C-N 118.991 1.395 . . . . 0.0 112.901 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.54 131.56 47.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.44 1.019 . . . . 0.0 113.175 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -74.48 169.33 17.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.921 1.288 . . . . 0.0 113.191 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.42 162.53 54.14 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.507 1.051 . . . . 0.0 114.032 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.82 -148.68 8.8 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 126.346 1.927 . . . . 0.0 114.248 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.18 -2.98 87.94 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.056 1.312 . . . . 0.0 114.349 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 170.09 16.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.835 1.654 . . . . 0.0 112.716 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.73 -177.26 18.26 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.139 0.876 . . . . 0.0 113.931 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.76 4.73 82.27 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.653 1.121 . . . . 0.0 115.479 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.11 168.24 50.43 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.31 1.433 . . . . 0.0 113.371 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 m -64.66 140.08 58.83 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.293 1.037 . . . . 0.0 112.325 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.56 -39.35 67.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.76 0.824 . . . . 0.0 112.256 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -77.24 154.7 32.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.77 1.228 . . . . 0.0 112.335 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -72.93 163.43 68.44 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.703 1.201 . . . . 0.0 112.218 167.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -61.48 166.52 11.28 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.779 2.986 . . . . 0.0 114.037 170.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -64.42 148.28 50.82 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.597 0.759 . . . . 0.0 112.217 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.5 p -73.31 -9.89 59.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.533 1.133 . . . . 0.0 113.517 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -67.59 -29.77 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.614 1.166 . . . . 0.0 113.58 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -131.33 176.19 8.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.099 2.16 . . . . 0.0 111.529 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.55 -40.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 115.011 0.764 . . . . 0.0 115.011 173.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -59.77 -38.99 83.36 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.142 0.971 . . . . 0.0 112.82 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -85.8 -44.72 12.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.347 1.459 . . . . 0.0 113.278 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.43 -41.94 99.08 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.503 0.721 . . . . 0.0 112.776 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -71.23 -54.01 12.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.843 0.457 . . . . 0.0 110.771 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.17 -45.02 94.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.48 -34.67 75.86 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.309 -0.869 . . . . 0.0 111.664 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -72.11 -40.78 67.9 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.782 0.833 . . . . 0.0 112.163 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -56.45 -49.82 73.5 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.875 1.216 . . . . 0.0 111.153 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.48 -34.93 78.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.099 0.56 . . . . 0.0 111.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 t -67.65 -32.28 72.86 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -80.74 -26.97 36.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.03 1.332 . . . . 0.0 114.324 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.32 153.02 30.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.176 0.99 . . . . 0.0 112.745 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.1 t -67.16 157.96 32.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.473 1.509 . . . . 0.0 112.671 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -52.97 -36.56 60.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.089 1.356 . . . . 0.0 112.956 170.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -69.88 -42.62 73.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.189 0.596 . . . . 0.0 112.441 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.02 -37.62 88.21 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.212 1.005 . . . . 0.0 112.602 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.04 -45.2 93.63 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.631 1.572 . . . . 0.0 112.595 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 47.5 mtm -60.42 -43.32 96.85 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.875 -0.516 . . . . 0.0 111.818 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.64 -38.59 91.54 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.902 0.774 . . . . 0.0 111.351 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.78 83.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.625 0.77 . . . . 0.0 111.595 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.36 -42.72 96.06 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 0.0 111.285 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.31 -49.44 77.6 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.722 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.72 -26.03 65.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -72.54 -36.91 68.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.556 1.542 . . . . 0.0 112.845 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.57 -37.18 71.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.436 1.095 . . . . 0.0 112.709 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -81.62 -27.97 33.92 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.15 -31.92 64.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.994 1.27 . . . . 0.0 112.821 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.91 -11.67 60.43 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -101.97 1.39 36.63 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.718 1.207 . . . . 0.0 114.051 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -72.15 153.54 41.58 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.402 1.081 . . . . 0.0 112.583 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 C-N-CA 125.445 1.497 . . . . 0.0 112.713 179.089 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -66.92 -17.23 51.47 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.993 3.129 . . . . 0.0 115.708 -175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.95 6.87 89.16 Favored Glycine 0 CA--C 1.542 1.751 0 C-N-CA 124.593 1.092 . . . . 0.0 114.907 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -66.13 149.59 50.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.005 1.322 . . . . 0.0 112.297 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -69.92 -21.75 63.26 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.59 1.156 . . . . 0.0 113.486 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.48 165.28 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.276 2.23 . . . . 0.0 114.287 -169.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -60.28 112.32 1.27 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.227 2.618 . . . . 0.0 112.257 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -86.05 -18.65 31.88 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -95.58 -3.1 47.04 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.243 1.417 . . . . 0.0 114.339 -172.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 11.8 t -100.14 140.03 34.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.067 1.347 . . . . 0.0 112.329 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -70.78 -36.43 73.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.34 1.056 . . . . 0.0 112.437 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.77 -43.07 94.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.739 0.816 . . . . 0.0 112.212 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.5 m -70.11 -31.03 68.38 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.868 0.867 . . . . 0.0 112.805 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.44 -47.44 41.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.369 -0.832 . . . . 0.0 111.861 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.91 -26.51 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.445 1.498 . . . . 0.0 113.241 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -15.82 55.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 167.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -48.18 4.93 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.192 0.901 . . . . 0.0 113.515 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.45 156.43 35.27 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.038 1.335 . . . . 0.0 112.839 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 176.08 5.27 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.737 1.215 . . . . 0.0 113.614 -171.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -59.48 -30.64 68.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.8 -31.97 72.94 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.055 0.843 . . . . 0.0 113.168 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.59 -34.78 53.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.395 1.078 . . . . 0.0 111.518 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.74 -47.32 81.52 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.325 0.65 . . . . 0.0 110.863 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.23 71.01 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.922 0.783 . . . . 0.0 113.039 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.97 64.87 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.08 -28.83 8.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.96 -37.34 69.95 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.61 1.164 . . . . 0.0 112.032 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.51 25.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.622 1.106 . . . . 0.0 113.227 172.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.52 -23.5 66.99 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.556 1.143 . . . . 0.0 114.007 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.0 5.08 52.75 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.2 1.4 . . . . 0.0 114.279 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.03 149.13 37.88 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.401 -0.812 . . . . 0.0 112.34 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.5 tp -64.08 144.0 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.448 -0.783 . . . . 0.0 112.421 -174.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -90.3 -7.6 52.96 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.06 137.4 38.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.697 1.199 . . . . 0.0 112.559 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.18 128.85 22.85 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.965 -0.459 . . . . 0.0 112.314 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.57 9.47 78.3 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 124.46 1.028 . . . . 0.0 115.549 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.44 43.8 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-N 119.145 1.472 . . . . 0.0 113.531 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 63.8 m -110.1 159.57 17.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.409 1.484 . . . . 0.0 113.42 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.16 150.12 49.3 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.603 1.097 . . . . 0.0 114.076 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.02 -147.08 8.45 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.662 1.601 . . . . 0.0 112.505 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.75 164.97 37.73 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.972 1.273 . . . . 0.0 113.368 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 13.8 t -75.78 148.91 38.11 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.037 0.935 . . . . 0.0 113.317 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -162.57 165.03 36.01 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.059 1.79 . . . . 0.0 112.752 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 156.66 170.44 21.74 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.834 1.206 . . . . 0.0 114.091 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -76.14 136.11 18.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.328 0.966 . . . . 0.0 112.784 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 28.7 t -70.74 142.75 51.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.065 0.946 . . . . 0.0 113.02 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 8.2 tpt 60.82 9.22 2.13 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.21 2.204 . . . . 0.0 116.056 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.77 142.62 49.71 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.333 -1.48 . . . . 0.0 111.795 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -72.27 153.25 92.3 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.516 1.126 . . . . 0.0 112.147 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -66.46 148.83 84.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.156 2.57 . . . . 0.0 112.691 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 33.1 p -80.2 150.62 30.05 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.276 1.43 . . . . 0.0 113.255 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 22.3 m -79.21 -5.14 53.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.956 1.302 . . . . 0.0 114.126 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 21.1 m -64.13 164.5 10.7 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.919 2.088 . . . . 0.0 113.896 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.79 121.7 13.53 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.48 1.112 . . . . 0.0 113.156 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.37 -44.64 51.15 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.992 0.806 . . . . 0.0 114.774 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -59.94 -31.07 69.51 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.949 0.875 . . . . 0.0 113.087 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -81.81 -63.08 1.46 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.513 1.925 . . . . 0.0 110.781 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.16 -42.44 93.73 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.71 -33.6 72.73 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.902 -1.124 . . . . 0.0 112.293 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -72.74 -52.3 15.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.009 0.924 . . . . 0.0 110.852 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.35 -39.88 94.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.886 0.874 . . . . 0.0 112.752 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 9.7 t -67.94 -41.73 82.06 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.753 0.706 . . . . 0.0 112.06 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -61.89 -42.22 98.82 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.069 0.849 . . . . 0.0 111.99 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.02 -28.29 69.48 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 t -73.17 -39.48 65.6 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.66 1.118 . . . . 0.0 112.615 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -72.89 -33.94 66.35 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.688 1.595 . . . . 0.0 113.815 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.84 151.81 44.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.791 1.636 . . . . 0.0 112.278 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.0 t -78.21 156.59 29.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.501 1.12 . . . . 0.0 111.263 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.54 -37.86 65.9 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.743 -1.223 . . . . 0.0 112.78 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.53 -40.99 89.01 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.361 173.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.58 -37.29 79.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 112.136 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.6 -38.88 92.54 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -59.67 -46.53 88.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.282 0.946 . . . . 0.0 111.124 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.99 66.56 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.96 -39.2 93.6 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.164 0.893 . . . . 0.0 111.865 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.71 -42.26 77.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.922 0.889 . . . . 0.0 112.535 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.47 -45.5 93.99 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.216 -0.927 . . . . 0.0 110.693 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -60.82 -48.1 83.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.734 0.814 . . . . 0.0 112.862 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.89 -25.98 64.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.324 0.966 . . . . 0.0 112.658 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -75.08 -33.71 61.69 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.987 1.315 . . . . 0.0 112.889 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.96 -38.32 69.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.089 0.956 . . . . 0.0 112.469 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -81.93 -24.43 35.61 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -76.99 -27.85 54.85 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.507 1.049 . . . . 0.0 113.235 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.75 -12.38 60.02 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -97.62 1.99 49.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.751 1.22 . . . . 0.0 113.596 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -66.75 155.04 39.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.617 1.167 . . . . 0.0 112.536 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.392 1.472 . . . . 0.0 113.29 179.162 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 119.968 -0.351 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.24 -18.92 23.05 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 124.125 3.217 . . . . 0.0 114.229 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.48 153.45 20.91 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.297 1.427 . . . . 0.0 113.762 -174.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.7 m -72.74 136.71 45.57 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.726 1.21 . . . . 0.0 112.847 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -86.05 -16.71 37.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.519 1.128 . . . . 0.0 113.873 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.05 161.31 0.11 Allowed Pre-proline 0 CA--C 1.56 1.337 0 C-N-CA 128.264 2.625 . . . . 0.0 115.606 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -62.56 153.28 72.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.759 2.973 . . . . 0.0 114.036 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -83.87 -15.41 48.25 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -117.39 1.1 12.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p -69.54 120.07 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.616 1.098 . . . . 0.0 111.214 172.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 -69.95 -31.88 69.84 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.82 -47.11 87.86 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.805 1.184 . . . . 0.0 110.712 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 m -65.83 -34.75 78.86 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 112.658 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -68.32 -47.38 67.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.711 0.804 . . . . 0.0 112.016 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.82 -29.87 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.603 1.161 . . . . 0.0 112.559 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.55 -20.15 57.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.34 -29.34 14.65 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.734 1.159 . . . . 0.0 115.373 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.91 -177.92 4.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.53 1.532 . . . . 0.0 114.138 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.39 171.42 12.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.725 1.21 . . . . 0.0 113.112 175.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -59.75 -27.69 66.72 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -171.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.53 -33.98 77.17 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.907 0.883 . . . . 0.0 112.272 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.12 -38.05 72.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.296 1.038 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.49 -46.83 78.2 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.765 0.826 . . . . 0.0 111.307 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -33.5 70.84 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.71 63.81 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.54 -27.19 8.68 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mp -78.37 -38.36 42.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.497 1.119 . . . . 0.0 112.067 171.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.42 -125.51 39.75 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.785 1.183 . . . . 0.0 113.427 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -59.51 -24.32 63.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.292 1.437 . . . . 0.0 113.498 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -92.53 9.86 32.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.118 1.367 . . . . 0.0 114.144 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -61.32 140.84 57.92 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.819 -1.175 . . . . 0.0 111.293 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.55 149.96 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.378 -0.826 . . . . 0.0 113.214 -172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.47 -8.21 42.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.73 162.32 39.79 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.018 1.327 . . . . 0.0 113.289 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -172.84 156.54 25.05 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.309 0.956 . . . . 0.0 113.196 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.8 164.85 24.19 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.065 1.317 . . . . 0.0 113.847 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.41 -165.27 37.22 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.536 1.065 . . . . 0.0 113.63 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.4 p -71.24 -13.72 62.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.012 1.325 . . . . 0.0 114.489 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.75 77.6 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 123.907 0.765 . . . . 0.0 113.729 -171.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.95 38.02 7.59 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.111 1.339 . . . . 0.0 113.694 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.33 -2.96 85.22 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.941 1.258 . . . . 0.0 116.114 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 t -66.1 155.28 37.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.538 1.169 . . . . 0.0 112.546 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.53 164.9 50.54 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.761 1.172 . . . . 0.0 115.238 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.44 -167.78 37.96 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.476 1.512 . . . . 0.0 112.865 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 15.52 81.38 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.436 1.017 . . . . 0.0 115.42 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.4 m -62.57 157.23 21.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.77 1.628 . . . . 0.0 112.988 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.6 ptm -62.06 158.17 17.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.172 0.989 . . . . 0.0 113.124 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.5 144.66 50.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.544 1.137 . . . . 0.0 112.806 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -113.07 164.41 15.6 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 126.404 1.882 . . . . 0.0 111.505 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.63 150.13 36.96 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.639 2.893 . . . . 0.0 113.846 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 t -64.87 154.18 38.04 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.966 1.306 . . . . 0.0 113.276 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -151.19 148.86 28.76 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.153 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -78.84 -11.88 60.01 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.173 1.389 . . . . 0.0 113.773 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -67.59 154.31 41.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.22 0.918 . . . . 0.0 112.772 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.14 -45.44 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 C-N-CA 123.634 0.635 . . . . 0.0 114.31 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -58.22 -38.8 77.51 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.21 1.005 . . . . 0.0 112.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -78.18 -42.54 31.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.829 1.652 . . . . 0.0 112.694 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -71.51 -47.94 52.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.22 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.27 -22.84 64.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 112.881 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -82.53 -56.29 3.96 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.989 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.7 -34.57 78.17 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.1 p -64.75 -34.84 79.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.584 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -72.98 -48.89 32.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.397 1.079 . . . . 0.0 110.663 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.32 -41.6 69.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.388 0.675 . . . . 0.0 112.24 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -67.7 -36.99 81.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -86.27 -25.18 25.66 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.98 153.55 40.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.73 1.212 . . . . 0.0 111.956 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -62.89 158.02 20.1 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.626 1.17 . . . . 0.0 111.912 171.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.161 -0.962 . . . . 0.0 111.918 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -64.97 -42.65 94.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.943 0.897 . . . . 0.0 112.327 171.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.7 -37.96 79.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.207 1.003 . . . . 0.0 111.979 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.47 -43.17 97.2 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 111.968 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.6 mtm -62.78 -42.72 99.82 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.97 68.81 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.57 -39.79 94.38 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.591 1.087 . . . . 0.0 112.017 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.4 83.64 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.336 1.054 . . . . 0.0 112.371 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -46.63 67.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.625 -0.672 . . . . 0.0 111.304 174.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.37 -47.8 84.51 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.64 -28.88 69.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.874 0.761 . . . . 0.0 112.959 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.31 -41.57 63.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.176 0.99 . . . . 0.0 111.697 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.72 -37.97 79.86 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.191 0.997 . . . . 0.0 112.075 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -78.28 -29.97 48.21 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.49 -29.07 59.45 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.823 1.192 . . . . 0.0 112.918 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.77 -14.27 58.83 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -101.91 -18.97 15.45 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -89.97 161.27 15.97 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.499 1.119 . . . . 0.0 113.168 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 C-N-CA 125.559 1.552 . . . . 0.0 113.34 -177.26 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.25 152.39 53.39 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.176 3.251 . . . . 0.0 114.04 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.31 143.7 43.17 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.456 1.027 . . . . 0.0 114.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.8 t -72.44 157.22 38.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.799 1.24 . . . . 0.0 112.315 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -63.71 -24.6 67.84 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.116 0.966 . . . . 0.0 112.407 167.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.92 160.2 0.12 Allowed Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 128.888 2.875 . . . . 0.0 115.526 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.17 156.58 54.44 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.37 2.713 . . . . 0.0 113.821 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -142.32 -13.29 0.8 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.12 1.368 . . . . 0.0 114.127 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -110.11 17.29 21.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.815 2.046 . . . . 0.0 113.065 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 17.1 p -62.58 143.44 57.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.164 1.385 . . . . 0.0 112.609 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.9 -29.62 39.94 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.29 -50.83 71.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.772 1.169 . . . . 0.0 111.443 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 78.2 p -70.48 -28.51 65.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.674 0.79 . . . . 0.0 112.972 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.35 -54.86 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.008 0.923 . . . . 0.0 111.52 173.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -61.39 -34.03 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.582 1.553 . . . . 0.0 112.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -70.61 -21.86 62.6 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.38 -39.99 5.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.952 1.263 . . . . 0.0 114.7 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.4 176.09 10.01 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.533 1.133 . . . . 0.0 113.953 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 173.66 6.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.231 1.412 . . . . 0.0 113.567 -171.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.76 -30.28 67.4 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.004 1.321 . . . . 0.0 114.312 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -65.31 -35.96 82.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.476 0.71 . . . . 0.0 112.044 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.98 -30.42 50.18 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.054 0.942 . . . . 0.0 112.434 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.02 -47.97 72.68 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.319 0.648 . . . . 0.0 110.64 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.63 -29.8 69.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.15 -17.94 65.07 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.49 -25.56 5.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.49 -34.28 67.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.927 0.891 . . . . 0.0 112.326 168.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.98 -140.6 45.74 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.928 1.251 . . . . 0.0 113.095 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -64.05 -16.72 62.32 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.147 0.979 . . . . 0.0 113.476 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.09 -0.02 38.12 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.286 1.434 . . . . 0.0 113.654 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -56.22 143.49 33.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.787 -1.196 . . . . 0.0 112.835 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.3 tp -64.07 149.44 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -167.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -98.9 6.3 46.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.909 1.684 . . . . 0.0 113.443 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -136.62 166.69 22.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.878 1.671 . . . . 0.0 113.527 -159.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -76.32 158.02 48.73 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.896 1.236 . . . . 0.0 113.866 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -111.5 0.22 27.81 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.03 1.3 . . . . 0.0 116.015 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.14 -167.77 38.28 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.012 1.406 . . . . 0.0 113.508 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -155.89 -57.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.66 1.184 . . . . 0.0 111.346 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -96.93 -163.41 32.37 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.644 1.593 . . . . 0.0 112.601 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.78 139.76 23.3 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.75 0.691 . . . . 0.0 112.975 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.49 2.05 68.93 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 125.014 1.292 . . . . 0.0 115.489 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 90.7 p -151.29 167.52 27.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.663 1.985 . . . . 0.0 111.392 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 179.65 169.68 40.32 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.856 0.741 . . . . 0.0 114.365 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -77.45 -174.23 41.07 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.292 1.425 . . . . 0.0 114.162 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -172.84 -165.91 30.55 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.215 1.388 . . . . 0.0 112.574 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 88.0 p -66.93 -30.22 70.3 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.177 0.991 . . . . 0.0 113.343 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 28.0 ptm 47.6 29.33 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.977 2.511 . . . . 0.0 115.684 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -78.64 -5.25 52.46 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -109.63 144.91 30.84 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 126.253 1.821 . . . . 0.0 112.733 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.24 168.9 22.87 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.682 2.922 . . . . 0.0 112.377 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 10.2 t -148.02 -53.01 0.19 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.727 0.811 . . . . 0.0 112.208 172.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 -40.87 0.1 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 129.497 3.119 . . . . 0.0 118.677 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 50.3 m -73.01 154.23 40.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.538 1.535 . . . . 0.0 114.437 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 58.26 -87.28 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.851 2.46 . . . . 0.0 115.236 174.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.03 -35.96 1.92 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.688 1.613 . . . . 0.0 115.457 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -62.0 -25.52 67.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.914 1.286 . . . . 0.0 113.852 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -80.17 -42.32 23.62 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.161 1.784 . . . . 0.0 112.387 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -70.69 -42.96 70.0 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.483 1.113 . . . . 0.0 112.543 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -64.19 -35.23 80.1 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.408 0.683 . . . . 0.0 112.359 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.9 -53.05 16.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.364 1.466 . . . . 0.0 111.952 174.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 63.1 tp -58.59 -37.0 74.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.262 1.025 . . . . 0.0 112.699 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 57.8 m -64.29 -20.8 66.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -86.17 -47.69 9.25 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.39 0.995 . . . . 0.0 111.237 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.13 -28.41 69.09 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.8 p -68.36 -27.87 66.63 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.409 1.004 . . . . 0.0 113.519 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.83 -34.04 17.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.261 1.824 . . . . 0.0 113.97 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.79 156.85 26.03 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.951 1.301 . . . . 0.0 112.358 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.9 t -68.55 156.79 37.36 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.677 1.191 . . . . 0.0 111.583 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -61.56 -34.02 74.86 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.922 -1.111 . . . . 0.0 112.008 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.8 m120 -63.27 -42.12 99.08 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.482 -0.761 . . . . 0.0 112.436 172.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.67 -39.03 90.9 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.682 0.793 . . . . 0.0 111.643 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.68 -45.1 95.44 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.962 0.905 . . . . 0.0 113.052 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -56.7 -48.33 77.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.175 0.898 . . . . 0.0 111.451 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.99 65.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.93 -36.87 84.54 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.061 0.846 . . . . 0.0 111.64 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.82 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.7 0.8 . . . . 0.0 111.71 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.86 -44.24 97.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.331 -0.855 . . . . 0.0 111.128 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -60.5 -50.21 74.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.141 0.976 . . . . 0.0 112.902 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.92 -26.41 65.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -75.31 -33.24 61.15 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.855 1.262 . . . . 0.0 112.424 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.64 -42.08 71.32 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.63 1.172 . . . . 0.0 112.302 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -81.74 -12.45 58.59 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -87.94 -34.59 18.06 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.088 1.313 . . . . 0.0 112.763 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.74 -16.46 61.65 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -87.85 -8.73 55.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.852 1.261 . . . . 0.0 114.102 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -80.81 156.52 26.11 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.547 1.139 . . . . 0.0 113.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.341 0 C-N-CA 125.658 1.599 . . . . 0.0 113.173 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.455 0 CA-C-O 119.801 -0.444 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -69.46 165.01 32.08 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.0 3.133 . . . . 0.0 112.888 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.38 -125.97 7.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 123.62 0.629 . . . . 0.0 113.332 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.4 t 66.32 140.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.344 2.258 . . . . 0.0 114.621 -166.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -82.67 -27.93 30.97 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -170.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.94 156.42 0.11 Allowed Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 127.019 2.127 . . . . 0.0 115.075 -170.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.13 159.33 47.33 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.049 1.832 . . . . 0.0 112.49 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -134.91 -23.61 1.54 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.126 1.371 . . . . 0.0 113.678 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -153.38 54.66 0.75 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.073 1.749 . . . . 0.0 109.544 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 129.82 40.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.808 1.29 . . . . 0.0 113.334 -170.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -63.24 -39.75 95.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.749 2.02 . . . . 0.0 111.444 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.52 -43.11 91.05 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.572 1.149 . . . . 0.0 111.109 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.9 t -64.35 -38.24 90.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.983 0.513 . . . . 0.0 112.326 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.19 -45.97 75.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.529 -0.732 . . . . 0.0 112.545 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.67 -26.6 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.771 1.228 . . . . 0.0 113.223 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -84.49 -21.45 30.61 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.858 -1.151 . . . . 0.0 113.921 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.39 -27.91 28.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.707 1.146 . . . . 0.0 115.303 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.66 179.84 3.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.103 1.761 . . . . 0.0 114.042 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.63 168.68 11.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.362 1.465 . . . . 0.0 112.418 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -60.81 -23.16 64.85 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.06 -32.84 74.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.491 1.116 . . . . 0.0 112.431 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -74.37 -33.75 63.16 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.419 1.088 . . . . 0.0 112.111 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.06 -47.02 78.82 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.078 0.551 . . . . 0.0 110.644 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.79 70.94 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.618 -0.676 . . . . 0.0 112.739 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.16 64.16 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.91 -27.54 5.37 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.81 -34.77 62.43 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.524 1.13 . . . . 0.0 111.77 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 -128.27 46.58 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.72 1.152 . . . . 0.0 113.103 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.19 -19.14 62.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.558 1.143 . . . . 0.0 113.907 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -94.36 8.53 41.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.192 1.397 . . . . 0.0 114.275 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.65 149.09 36.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.388 -0.82 . . . . 0.0 110.98 167.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -60.45 143.25 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.221 0.608 . . . . 0.0 112.351 -172.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.88 -0.34 57.51 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -94.49 -7.5 41.11 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.845 1.658 . . . . 0.0 113.684 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.35 -177.73 45.7 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 124.681 1.134 . . . . 0.0 114.439 -170.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.32 -169.98 54.66 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.595 1.093 . . . . 0.0 114.199 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.88 -8.73 0.53 Allowed Glycine 0 CA--C 1.536 1.384 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -79.6 -19.7 48.68 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.06 -154.83 52.94 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.311 0.959 . . . . 0.0 113.802 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.08 -147.49 16.51 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.828 1.204 . . . . 0.0 113.703 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.94 52.13 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.719 1.152 . . . . 0.0 113.872 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -148.09 168.29 22.76 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 112.144 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.46 -155.74 27.27 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.244 1.402 . . . . 0.0 113.866 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.04 168.31 41.39 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.756 1.17 . . . . 0.0 113.535 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.91 -15.94 63.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.325 0.964 . . . . 0.0 115.336 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.9 p -73.93 -11.56 60.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.627 1.571 . . . . 0.0 114.541 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.99 143.97 57.6 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.851 0.86 . . . . 0.0 113.033 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.36 154.32 38.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.352 1.461 . . . . 0.0 112.837 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -72.89 144.96 86.06 Favored Pre-proline 0 N--CA 1.475 0.8 0 C-N-CA 123.668 0.787 . . . . 0.0 111.413 165.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.12 146.51 41.19 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.272 2.648 . . . . 0.0 112.909 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.4 p -87.59 163.11 16.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.185 1.394 . . . . 0.0 111.502 167.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 t -65.05 130.49 43.53 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.669 -0.644 . . . . 0.0 111.552 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -160.04 156.28 26.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.687 1.595 . . . . 0.0 111.419 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -66.54 143.33 57.12 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.86 0.864 . . . . 0.0 112.008 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.92 92.54 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 114.554 0.582 . . . . 0.0 114.554 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -64.0 -29.96 71.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 112.483 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.13 -51.85 6.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.844 1.658 . . . . 0.0 111.184 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -64.55 -53.7 43.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.391 1.476 . . . . 0.0 112.719 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.55 -45.16 88.31 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.282 0.633 . . . . 0.0 111.959 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.81 -54.06 47.41 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.143 0.577 . . . . 0.0 111.763 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.92 -38.39 88.24 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.683 -0.636 . . . . 0.0 112.234 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -58.02 -58.42 8.48 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.403 0.681 . . . . 0.0 111.23 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -65.32 -36.59 84.51 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.84 -31.69 65.02 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.957 0.799 . . . . 0.0 112.545 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 t -71.38 -24.74 62.13 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -82.27 -30.53 30.6 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.8 1.24 . . . . 0.0 112.608 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.0 156.54 38.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.822 1.249 . . . . 0.0 112.922 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 160.4 31.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.656 1.182 . . . . 0.0 112.572 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.43 -37.11 79.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.188 -0.945 . . . . 0.0 112.249 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -64.91 -41.05 95.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 111.691 175.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.86 -40.28 87.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.944 0.898 . . . . 0.0 112.253 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.77 -45.45 89.78 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.686 1.194 . . . . 0.0 112.079 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.93 -40.24 97.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.705 0.684 . . . . 0.0 112.419 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.35 63.81 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.68 -38.05 89.69 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.11 -0.994 . . . . 0.0 110.799 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.07 85.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.916 0.886 . . . . 0.0 112.608 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 -45.49 77.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.767 0.827 . . . . 0.0 111.328 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -60.73 -45.17 95.27 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.245 -0.909 . . . . 0.0 112.494 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.38 -22.67 61.1 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -74.23 -32.3 62.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.587 1.085 . . . . 0.0 112.732 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.64 -32.18 62.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.205 1.002 . . . . 0.0 112.796 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -85.06 -31.55 23.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.96 -19.18 65.68 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 120.685 -1.26 . . . . 0.0 113.078 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.85 -15.26 30.27 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -32.93 13.52 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.539 1.063 . . . . 0.0 112.451 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.86 161.27 26.69 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.867 0.867 . . . . 0.0 113.158 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.353 0 C-N-CA 125.604 1.573 . . . . 0.0 113.899 177.101 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 CA-C-O 119.961 -0.355 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.27 -15.06 28.51 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.219 3.279 . . . . 0.0 114.486 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.61 -178.31 34.49 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.509 1.528 . . . . 0.0 113.264 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 97.9 p -149.41 160.54 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.857 1.263 . . . . 0.0 112.305 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -109.18 -8.59 15.11 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -171.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.86 146.18 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 128.782 2.833 . . . . 0.0 115.412 -173.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -70.98 152.63 63.17 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.638 2.892 . . . . 0.0 113.616 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.74 -18.24 0.16 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.098 1.359 . . . . 0.0 114.1 173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -127.3 23.85 6.36 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.601 1.96 . . . . 0.0 112.95 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -69.48 166.18 19.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.434 1.494 . . . . 0.0 113.19 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -57.23 -34.43 68.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.488 1.115 . . . . 0.0 111.901 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.93 -46.03 92.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.396 1.078 . . . . 0.0 111.29 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.3 m -72.48 -29.97 64.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.008 0.923 . . . . 0.0 113.226 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.97 -45.51 85.38 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.241 -0.912 . . . . 0.0 112.144 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.71 -30.73 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.462 1.505 . . . . 0.0 112.783 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -74.47 -27.99 60.82 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 169.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.68 -42.53 31.8 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 123.635 0.636 . . . . 0.0 113.663 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.69 164.53 25.2 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.986 1.315 . . . . 0.0 113.249 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.3 177.72 4.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.469 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -58.88 -30.97 68.16 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.1 -33.84 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.627 0.771 . . . . 0.0 112.132 174.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -75.88 -38.16 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.842 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.64 -48.47 81.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.172 0.589 . . . . 0.0 110.931 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.99 -34.88 76.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.7 71.78 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.86 -28.86 39.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.14 -61.24 2.01 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.12 0.873 . . . . 0.0 111.749 169.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.5 110.2 0.04 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.04 1.305 . . . . 0.0 113.996 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 62.21 -38.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 129.307 3.043 . . . . 0.0 116.688 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.09 -3.54 45.87 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.782 1.633 . . . . 0.0 114.052 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.93 146.67 13.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.71 0.804 . . . . 0.0 110.221 161.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.3 tp -55.57 138.39 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -116.42 18.54 15.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.061 1.344 . . . . 0.0 113.143 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 54.14 26.83 6.98 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.277 1.831 . . . . 0.0 114.176 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -137.03 -150.77 5.83 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.024 1.774 . . . . 0.0 113.737 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.13 -153.56 6.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.9 1.238 . . . . 0.0 112.74 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 153.74 -144.7 11.59 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.425 1.012 . . . . 0.0 113.434 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 19.4 t -145.69 174.88 10.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.67 1.588 . . . . 0.0 111.692 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -171.1 168.98 42.1 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 126.053 1.787 . . . . 0.0 113.233 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.24 -92.55 0.02 OUTLIER Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.229 1.871 . . . . 0.0 116.123 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 173.95 142.61 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 CA-C-N 117.634 0.717 . . . . 0.0 114.715 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 38.9 t -153.13 154.12 34.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.799 2.04 . . . . 0.0 110.556 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 157.93 -169.93 34.74 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 125.336 1.446 . . . . 0.0 113.046 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -145.19 -115.27 0.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.922 1.248 . . . . 0.0 113.282 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 169.87 -170.25 42.68 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.558 1.552 . . . . 0.0 113.64 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 47.3 m -138.49 159.42 42.12 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.5 1.52 . . . . 0.0 112.009 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 63.6 ttp -135.45 -29.07 1.09 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.889 1.275 . . . . 0.0 113.683 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -142.25 160.46 40.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.158 1.383 . . . . 0.0 112.35 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.78 152.42 90.38 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.207 1.403 . . . . 0.0 112.364 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.93 171.23 12.68 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.499 2.8 . . . . 0.0 112.456 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 43.7 p -62.75 155.19 27.32 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.965 0.906 . . . . 0.0 112.02 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 20.1 m -66.12 -24.68 66.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 32.7 t -71.94 146.44 47.8 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.223 1.009 . . . . 0.0 112.884 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.17 -2.36 29.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.799 1.639 . . . . 0.0 113.968 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.14 68.16 Favored Glycine 0 CA--C 1.539 1.537 0 O-C-N 120.948 -1.095 . . . . 0.0 114.553 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -73.42 -36.49 65.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.385 1.074 . . . . 0.0 112.063 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -74.24 -47.06 37.61 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.683 1.993 . . . . 0.0 111.466 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.18 -49.75 70.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.83 1.252 . . . . 0.0 112.219 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -62.88 -45.89 90.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.058 0.943 . . . . 0.0 111.832 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.7 -54.66 39.63 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.396 1.078 . . . . 0.0 111.572 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.58 -36.73 81.51 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.339 -0.851 . . . . 0.0 112.622 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.4 t -62.11 -48.62 79.34 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.23 1.012 . . . . 0.0 111.66 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.78 -41.68 95.65 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.352 -0.843 . . . . 0.0 111.877 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.47 -28.93 68.72 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 11.2 p -72.47 -28.95 63.23 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.496 1.043 . . . . 0.0 113.366 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -74.71 -42.12 58.94 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.496 1.519 . . . . 0.0 112.655 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.86 140.47 58.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.178 0.991 . . . . 0.0 111.607 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 31.6 t -72.65 164.42 26.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.737 1.615 . . . . 0.0 112.897 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -52.35 -42.57 64.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.552 -1.343 . . . . 0.0 113.1 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.77 -37.26 86.69 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.179 0.992 . . . . 0.0 112.25 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.43 -38.0 71.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.62 1.168 . . . . 0.0 112.204 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.0 -40.41 89.13 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.808 0.843 . . . . 0.0 112.046 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.5 mtm -66.12 -43.96 85.65 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.895 -0.503 . . . . 0.0 111.781 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.26 76.8 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.19 -39.88 94.91 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.373 -0.83 . . . . 0.0 111.06 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.97 85.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.279 1.032 . . . . 0.0 111.771 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.11 -45.13 94.83 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.786 0.834 . . . . 0.0 111.599 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.57 -52.16 66.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.151 0.98 . . . . 0.0 112.303 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -24.89 63.26 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -74.1 -39.01 63.68 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.748 1.619 . . . . 0.0 111.982 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.73 -39.51 73.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.379 1.072 . . . . 0.0 112.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -76.94 -30.66 56.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -74.41 -30.38 61.91 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.494 1.043 . . . . 0.0 113.173 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.31 -8.68 58.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -109.62 9.0 25.17 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.466 1.506 . . . . 0.0 113.688 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.8 148.97 50.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.057 0.943 . . . . 0.0 112.979 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.365 0 C-N-CA 125.54 1.543 . . . . 0.0 113.805 176.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 CA-C-O 119.665 -0.519 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.15 160.32 35.02 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.058 3.172 . . . . 0.0 114.481 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.15 147.82 12.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.181 1.372 . . . . 0.0 112.814 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.8 m -78.58 134.11 37.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.613 1.165 . . . . 0.0 113.172 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.0 -19.78 14.09 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.47 150.24 0.1 OUTLIER Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.367 2.267 . . . . 0.0 113.95 -165.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.98 125.51 13.76 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.792 2.328 . . . . 0.0 112.196 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.41 -12.16 47.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.447 1.099 . . . . 0.0 113.161 169.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.02 5.83 31.6 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.366 1.866 . . . . 0.0 114.158 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 p -62.03 158.2 17.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.453 1.101 . . . . 0.0 113.237 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -58.5 -25.16 62.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.0 -43.54 95.14 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.999 1.272 . . . . 0.0 111.094 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -66.2 -38.64 88.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.625 0.77 . . . . 0.0 112.293 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -66.05 -48.81 69.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.877 0.871 . . . . 0.0 112.085 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.6 mm -69.9 -31.34 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.935 1.294 . . . . 0.0 112.254 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -69.67 -26.35 64.34 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.075 -1.016 . . . . 0.0 113.692 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.47 -29.33 16.92 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.03 -177.93 4.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.193 1.797 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.47 172.47 11.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.53 1.532 . . . . 0.0 113.535 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.41 -27.85 67.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -65.81 -32.14 73.5 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.255 -0.903 . . . . 0.0 112.366 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -73.79 -32.91 64.0 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.613 1.165 . . . . 0.0 111.981 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.66 -46.13 66.81 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.654 0.782 . . . . 0.0 111.505 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.71 70.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.538 -0.726 . . . . 0.0 112.958 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -16.85 64.58 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.04 -28.02 5.22 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.43 -37.96 71.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 111.876 170.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.86 -122.5 28.93 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.574 1.083 . . . . 0.0 113.728 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.13 -27.0 65.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.187 1.395 . . . . 0.0 113.415 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -92.94 7.14 45.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.879 1.671 . . . . 0.0 114.084 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 149.33 40.16 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.543 -1.348 . . . . 0.0 112.459 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp -64.75 147.83 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 123.983 0.913 . . . . 0.0 113.076 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -99.28 7.08 45.98 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.566 1.547 . . . . 0.0 113.717 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -116.87 159.99 21.55 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.306 1.842 . . . . 0.0 113.395 -173.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.88 -177.8 42.92 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.215 0.912 . . . . 0.0 113.828 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.74 -12.34 70.48 Favored Glycine 0 CA--C 1.537 1.455 0 N-CA-C 115.607 1.003 . . . . 0.0 115.607 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.2 -160.98 54.18 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.832 1.206 . . . . 0.0 114.458 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.3 p -149.55 165.79 31.14 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.782 1.633 . . . . 0.0 111.655 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.8 -172.12 33.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.165 0.888 . . . . 0.0 114.155 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.27 166.22 36.08 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.378 0.989 . . . . 0.0 113.969 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.24 42.02 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 124.728 1.156 . . . . 0.0 113.461 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -149.43 144.83 26.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.663 2.785 . . . . 0.0 111.362 0.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.48 160.51 41.83 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.229 0.918 . . . . 0.0 113.532 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 -177.81 36.06 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.553 1.073 . . . . 0.0 115.119 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.58 150.43 38.2 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.303 0.954 . . . . 0.0 113.492 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.0 t -69.52 -39.8 77.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.81 0.844 . . . . 0.0 112.847 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 27.8 ttt -153.75 120.21 5.52 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.371 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -157.8 163.78 37.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.289 1.436 . . . . 0.0 112.004 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 150.95 87.43 Favored Pre-proline 0 N--CA 1.479 1.022 0 C-N-CA 125.324 1.45 . . . . 0.0 111.549 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.35 155.99 67.35 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.644 2.896 . . . . 0.0 113.414 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -82.85 -12.45 57.42 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.271 1.428 . . . . 0.0 114.455 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m 56.57 35.6 26.3 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.477 1.511 . . . . 0.0 113.999 -174.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 t -62.24 153.63 29.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.06 1.344 . . . . 0.0 113.215 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -75.63 -6.09 48.67 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.009 1.723 . . . . 0.0 114.159 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.05 -46.05 2.26 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 126.326 1.917 . . . . 0.0 115.431 163.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -59.88 -34.73 73.53 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.224 1.012 . . . . 0.0 111.547 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.83 -49.56 72.33 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.333 1.853 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -64.41 -42.97 95.78 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.854 0.862 . . . . 0.0 112.672 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -51.55 68.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.299 1.04 . . . . 0.0 111.142 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -65.18 -48.36 73.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.419 -0.8 . . . . 0.0 112.1 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -66.54 -32.27 73.51 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.27 -0.894 . . . . 0.0 112.734 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -62.41 -50.31 72.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.361 0.664 . . . . 0.0 111.52 171.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -58.14 -47.67 82.59 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.553 -0.717 . . . . 0.0 111.725 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.75 -19.7 64.35 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -74.76 -41.57 59.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.327 -1.483 . . . . 0.0 112.007 166.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -76.5 -38.34 55.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.755 1.622 . . . . 0.0 114.621 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.63 157.73 33.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.473 1.509 . . . . 0.0 112.691 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.041 1.336 . . . . 0.0 111.7 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -53.72 -35.72 61.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.86 -1.15 . . . . 0.0 112.119 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.43 -39.27 93.5 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.813 0.845 . . . . 0.0 112.211 175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.76 -40.55 79.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.036 0.934 . . . . 0.0 111.931 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.1 -40.95 95.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.154 0.888 . . . . 0.0 112.461 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 53.0 mtm -59.86 -44.97 93.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.902 0.774 . . . . 0.0 112.045 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.76 64.96 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.97 -36.92 85.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.669 1.122 . . . . 0.0 111.188 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.94 88.21 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.793 0.837 . . . . 0.0 111.55 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -45.9 91.8 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.53 -47.02 85.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.782 0.833 . . . . 0.0 113.123 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.73 -28.49 67.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.15 0.886 . . . . 0.0 112.383 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -74.52 -31.51 62.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.53 1.132 . . . . 0.0 113.099 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -74.5 -39.04 62.67 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.515 1.126 . . . . 0.0 112.312 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.01 -35.01 57.41 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.423 -0.798 . . . . 0.0 113.131 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.89 -31.02 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.015 -1.053 . . . . 0.0 113.342 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.76 -6.1 55.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.018 1.327 . . . . 0.0 114.512 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -113.68 4.66 16.14 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.8 1.24 . . . . 0.0 114.16 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.2 154.43 41.28 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.221 -0.924 . . . . 0.0 112.513 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.277 0 C-N-CA 125.332 1.444 . . . . 0.0 113.143 -179.105 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.828 -0.984 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.08 156.4 65.96 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.585 2.857 . . . . 0.0 112.598 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.77 157.36 52.5 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.1 0.857 . . . . 0.0 113.95 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.3 m -82.66 4.01 26.66 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 63.11 -44.8 0.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.77 3.228 . . . . 0.0 116.483 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.62 148.95 0.1 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 128.703 2.801 . . . . 0.0 115.861 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.83 153.39 72.98 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.429 2.753 . . . . 0.0 113.402 176.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.56 -17.14 9.39 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.875 1.67 . . . . 0.0 112.541 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -104.2 35.65 2.62 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.035 2.534 . . . . 0.0 112.122 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 77.8 p -56.7 158.56 4.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.625 1.57 . . . . 0.0 114.129 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -64.0 -33.84 76.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 113.547 -168.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.8 -38.99 83.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.561 0.744 . . . . 0.0 111.905 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.2 m -63.11 -28.78 70.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -78.3 -48.38 15.8 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.26 -0.9 . . . . 0.0 111.275 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.2 mm -66.14 -31.34 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.981 1.312 . . . . 0.0 113.017 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.63 -21.93 57.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.672 1.189 . . . . 0.0 113.423 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.73 -38.7 9.3 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.532 1.063 . . . . 0.0 114.399 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -75.13 176.08 7.63 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.487 1.515 . . . . 0.0 113.494 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 178.15 7.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.251 1.02 . . . . 0.0 113.373 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -58.92 -29.39 67.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.688 1.195 . . . . 0.0 114.158 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.02 -34.27 78.03 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.588 -0.695 . . . . 0.0 112.586 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -77.13 -39.44 49.34 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.765 1.226 . . . . 0.0 111.481 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.31 -47.46 85.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.832 0.853 . . . . 0.0 110.916 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.5 77.84 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.7 79.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.412 0.685 . . . . 0.0 112.605 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.27 -29.73 28.18 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.52 -41.05 40.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.398 1.079 . . . . 0.0 111.861 171.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.8 -128.9 41.14 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.883 0.754 . . . . 0.0 113.164 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -8.81 19.0 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -101.07 10.34 41.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.693 1.597 . . . . 0.0 113.324 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.43 151.76 23.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.81 1.244 . . . . 0.0 112.781 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.84 147.34 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 113.345 -169.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -115.05 17.77 16.64 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.232 1.413 . . . . 0.0 113.6 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -145.6 157.34 43.99 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.592 1.557 . . . . 0.0 112.32 -172.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -80.71 -166.28 34.87 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.531 1.539 . . . . 0.0 114.411 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.4 -153.47 9.04 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.23 1.395 . . . . 0.0 113.087 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.83 162.43 42.13 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.064 0.84 . . . . 0.0 114.492 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 15.7 t -64.93 152.67 42.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.328 1.051 . . . . 0.0 113.109 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.19 165.73 48.85 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 124.627 1.108 . . . . 0.0 114.382 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.24 -178.84 48.95 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.379 0.99 . . . . 0.0 114.18 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -76.42 167.7 54.61 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.172 0.891 . . . . 0.0 114.487 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 89.3 p -78.2 -0.1 27.19 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.442 1.497 . . . . 0.0 114.859 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 98.32 3.68 57.58 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.228 1.394 . . . . 0.0 115.612 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.56 167.14 39.31 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 118.616 1.208 . . . . 0.0 113.251 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.34 145.43 37.52 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.904 0.764 . . . . 0.0 113.196 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 31.3 t -69.11 139.51 54.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.674 0.79 . . . . 0.0 112.021 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 25.1 ptp -158.41 167.66 29.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.185 1.394 . . . . 0.0 111.574 -175.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 57.48 33.5 23.35 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.01 1.724 . . . . 0.0 114.602 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.37 153.39 48.95 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.792 1.237 . . . . 0.0 111.685 172.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.17 144.43 75.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.586 2.19 . . . . 0.0 111.411 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 51.1 p -142.16 141.05 32.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.088 1.355 . . . . 0.0 110.793 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 91.8 p -157.78 178.34 10.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.065 1.346 . . . . 0.0 112.246 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.2 t -59.93 151.34 26.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.45 1.1 . . . . 0.0 112.861 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 63.42 -38.37 0.18 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.514 2.726 . . . . 0.0 115.495 -169.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 75.02 -24.33 1.3 Allowed Glycine 0 N--CA 1.474 1.216 0 C-N-CA 127.015 2.245 . . . . 0.0 116.867 162.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -57.67 -39.98 78.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.799 1.24 . . . . 0.0 112.956 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.11 -36.45 81.95 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.177 1.391 . . . . 0.0 112.542 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -73.17 -49.6 27.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.334 1.054 . . . . 0.0 111.293 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.05 -21.08 63.2 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -80.53 -58.08 3.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.926 0.89 . . . . 0.0 111.196 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.37 -39.27 92.62 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 88.8 p -65.77 -29.47 69.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -74.24 -46.7 39.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.87 -1.144 . . . . 0.0 111.724 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.22 -30.23 70.31 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.7 p -71.32 -27.56 63.47 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -91.22 -29.69 17.07 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.859 1.664 . . . . 0.0 113.624 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.32 151.05 47.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.277 1.431 . . . . 0.0 111.985 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 54.1 p -73.1 167.72 20.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.118 0.967 . . . . 0.0 113.185 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -56.44 -39.2 72.72 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.698 1.199 . . . . 0.0 112.305 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -68.32 -41.52 80.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.756 1.223 . . . . 0.0 113.115 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.22 -37.53 83.75 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.009 0.822 . . . . 0.0 112.222 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.35 -40.21 95.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.701 1.2 . . . . 0.0 112.277 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 37.1 mtm -59.86 -50.76 72.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.46 0.573 . . . . 0.0 111.55 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.24 87.0 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.43 -40.56 95.98 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.56 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.85 85.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.08 0.952 . . . . 0.0 111.865 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -48.24 78.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.937 0.895 . . . . 0.0 110.733 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.9 -49.31 78.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.927 0.891 . . . . 0.0 112.79 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.33 -25.61 64.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.738 0.699 . . . . 0.0 112.609 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -77.22 -40.0 46.55 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.907 0.883 . . . . 0.0 112.266 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.28 -34.94 79.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.879 0.871 . . . . 0.0 112.666 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -85.47 -23.47 27.79 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.8 -30.28 35.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.208 1.367 . . . . 0.0 113.073 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.49 -13.3 62.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -97.18 1.65 50.08 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.872 1.269 . . . . 0.0 114.35 174.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.26 150.92 47.67 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.044 -1.035 . . . . 0.0 112.273 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 C-N-CA 125.415 1.484 . . . . 0.0 113.23 177.228 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.476 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -59.82 164.24 12.15 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 124.082 3.188 . . . . 0.0 114.565 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.98 -20.01 68.34 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.29 0.948 . . . . 0.0 114.996 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.0 t -151.84 139.19 19.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.496 1.519 . . . . 0.0 111.02 167.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -93.14 -11.9 31.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.087 1.355 . . . . 0.0 113.951 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.11 150.22 0.11 Allowed Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.281 2.632 . . . . 0.0 115.243 -173.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.98 156.94 59.3 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.224 2.616 . . . . 0.0 112.837 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.52 -15.77 0.93 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.241 1.416 . . . . 0.0 113.737 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -88.01 -6.11 58.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.141 1.776 . . . . 0.0 113.856 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -65.6 152.73 43.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.073 1.349 . . . . 0.0 111.666 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.74 -48.13 75.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.664 1.185 . . . . 0.0 113.889 -164.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.46 79.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.24 0.616 . . . . 0.0 111.101 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -63.92 -35.9 82.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.226 1.011 . . . . 0.0 112.69 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.49 -48.87 63.31 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.936 0.895 . . . . 0.0 111.629 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.1 mm -65.16 -32.16 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.689 1.196 . . . . 0.0 112.549 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.76 -30.18 67.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.72 -31.28 15.93 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.56 179.2 6.1 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.792 1.237 . . . . 0.0 114.294 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.19 168.21 12.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.731 1.612 . . . . 0.0 112.69 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -167.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -64.2 -31.61 72.87 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.21 -0.931 . . . . 0.0 112.722 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.87 -25.72 40.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.513 1.125 . . . . 0.0 112.347 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.39 -49.76 52.34 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.704 0.802 . . . . 0.0 110.067 167.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.46 -29.69 66.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.037 0.935 . . . . 0.0 113.443 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.27 65.24 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.38 -26.19 5.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -72.59 -36.38 68.14 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.238 1.015 . . . . 0.0 112.196 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.5 -129.4 49.55 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.702 1.144 . . . . 0.0 113.281 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.01 -35.74 73.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 112.542 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -77.09 5.05 8.86 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 113.375 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.75 137.92 57.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.215 -0.928 . . . . 0.0 111.261 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 tp -67.84 145.6 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.9 0.88 . . . . 0.0 112.888 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -97.48 1.12 48.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.631 1.172 . . . . 0.0 113.981 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -95.16 -9.89 32.12 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.01 1.724 . . . . 0.0 114.021 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 6.79 88.1 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 125.036 1.303 . . . . 0.0 115.994 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.63 -167.89 51.84 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 118.794 1.297 . . . . 0.0 114.449 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.47 170.95 32.94 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.2 t -154.37 165.76 35.35 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.708 2.003 . . . . 0.0 111.448 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -154.96 -177.95 28.77 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.724 1.63 . . . . 0.0 114.029 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.04 -133.21 1.45 Allowed Glycine 0 CA--C 1.538 1.502 0 C-N-CA 123.94 0.781 . . . . 0.0 114.84 -173.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.35 -147.68 18.73 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.104 1.335 . . . . 0.0 113.162 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -59.99 140.08 57.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.156 1.382 . . . . 0.0 113.636 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.47 174.95 35.49 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.181 1.372 . . . . 0.0 114.135 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.59 0.49 85.48 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.764 1.173 . . . . 0.0 115.64 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.46 -16.59 55.16 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-N 118.926 1.363 . . . . 0.0 116.126 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -73.66 -17.39 61.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.653 1.181 . . . . 0.0 113.683 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.6 tpt -72.42 147.82 45.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.499 1.12 . . . . 0.0 113.059 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -65.52 159.05 25.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.862 1.265 . . . . 0.0 112.621 175.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -60.45 146.38 84.88 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.146 0.978 . . . . 0.0 113.327 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.63 155.35 54.55 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.548 2.832 . . . . 0.0 112.933 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -75.56 -19.29 59.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.619 1.167 . . . . 0.0 113.538 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 t -150.42 161.6 42.19 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.441 1.496 . . . . 0.0 111.9 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -74.18 33.73 0.09 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.95 2.1 . . . . 0.0 115.739 -169.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.32 155.95 39.58 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.86 -1.15 . . . . 0.0 112.457 173.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.81 -17.76 0.06 OUTLIER Glycine 0 N--CA 1.476 1.36 0 N-CA-C 116.385 1.314 . . . . 0.0 116.385 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -56.1 -36.78 68.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.1 1.45 . . . . 0.0 113.035 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.34 -42.13 75.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.954 1.302 . . . . 0.0 111.766 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.34 -42.62 79.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.049 0.94 . . . . 0.0 111.518 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.63 -38.22 80.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.774 1.229 . . . . 0.0 112.311 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -74.01 -55.69 5.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.202 1.001 . . . . 0.0 111.924 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.54 -33.27 75.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.393 1.077 . . . . 0.0 113.76 -171.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 m -63.09 -31.17 72.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.527 -0.733 . . . . 0.0 112.719 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -72.56 -49.12 34.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.153 0.981 . . . . 0.0 110.51 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.54 -36.93 79.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.625 0.77 . . . . 0.0 112.478 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.5 p -67.97 -26.57 66.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.355 0.979 . . . . 0.0 113.448 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -86.44 -33.97 20.26 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.799 1.64 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 153.53 39.86 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.481 1.112 . . . . 0.0 111.571 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 t -76.04 160.6 29.65 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.194 0.998 . . . . 0.0 111.703 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -56.53 -40.25 74.75 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.843 -1.16 . . . . 0.0 112.353 177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -60.77 -39.58 89.35 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.55 -0.719 . . . . 0.0 112.566 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.63 -38.92 80.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.181 0.993 . . . . 0.0 111.972 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.3 -47.19 87.07 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.496 0.718 . . . . 0.0 111.82 173.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mtp -60.21 -38.17 82.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.39 -44.52 44.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.36 -39.72 92.66 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.81 1.187 . . . . 0.0 111.512 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.27 83.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.31 1.044 . . . . 0.0 112.558 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.34 -49.98 61.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.249 1.02 . . . . 0.0 110.89 173.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.69 -46.64 86.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.645 0.778 . . . . 0.0 112.896 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.06 -27.99 66.99 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.82 -33.38 57.97 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.507 1.049 . . . . 0.0 112.212 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.67 -34.75 58.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.394 1.077 . . . . 0.0 112.418 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -77.69 -37.34 49.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.4 -23.92 65.61 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.03 -1.044 . . . . 0.0 113.02 -171.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -83.21 -6.47 59.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.152 1.381 . . . . 0.0 114.59 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -120.79 -15.7 8.32 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.19 160.98 31.11 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.487 1.04 . . . . 0.0 112.499 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.327 0 C-N-CA 125.528 1.537 . . . . 0.0 113.849 177.624 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 CA-C-O 119.649 -0.528 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -61.86 149.59 89.5 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.7 2.933 . . . . 0.0 112.804 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.83 -11.38 53.69 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.227 1.394 . . . . 0.0 115.438 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 37.0 p -86.79 172.56 10.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.047 1.423 . . . . 0.0 112.339 170.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.04 -14.63 62.77 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.19 162.81 0.11 Allowed Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 128.474 2.71 . . . . 0.0 115.706 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -63.51 164.45 20.72 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 113.883 174.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.29 -22.43 1.03 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -92.93 30.69 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.839 1.656 . . . . 0.0 112.518 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -69.44 -11.65 61.0 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.517 1.527 . . . . 0.0 114.394 -175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.66 -31.69 66.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.219 1.008 . . . . 0.0 112.95 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -34.25 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.516 1.126 . . . . 0.0 112.631 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.8 t -66.6 -34.13 77.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 0.0 112.201 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.56 -43.56 66.14 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.485 -0.759 . . . . 0.0 111.851 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.72 -33.7 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.31 1.044 . . . . 0.0 112.74 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.773 0.829 . . . . 0.0 113.219 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.64 -31.59 8.68 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.149 1.22 . . . . 0.0 116.149 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.56 171.97 10.44 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.41 167.86 9.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.081 1.353 . . . . 0.0 113.009 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -63.01 -23.56 67.51 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.28 -32.56 74.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.98 0.809 . . . . 0.0 112.421 169.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.17 -32.42 56.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.217 1.007 . . . . 0.0 112.032 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.65 -51.88 65.5 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.168 0.587 . . . . 0.0 110.373 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.34 70.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.705 0.802 . . . . 0.0 113.057 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.75 66.62 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.86 -25.85 8.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.16 -36.22 64.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.449 1.1 . . . . 0.0 112.144 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.7 51.57 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.168 0.889 . . . . 0.0 113.268 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -16.85 63.99 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -83.17 1.57 39.87 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 169.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -53.71 140.59 29.03 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.94 -1.1 . . . . 0.0 111.393 172.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 tp -62.36 151.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -165.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -110.56 13.4 22.63 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.757 1.223 . . . . 0.0 114.023 -168.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -135.49 2.18 2.94 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.821 1.649 . . . . 0.0 114.77 -171.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.22 -179.58 53.24 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.182 1.372 . . . . 0.0 113.977 -171.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.9 -140.43 4.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.29 1.424 . . . . 0.0 112.996 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.24 20.62 35.06 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.045 1.307 . . . . 0.0 114.886 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 9.0 m -63.47 -26.92 68.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.31 138.23 40.89 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.835 1.207 . . . . 0.0 115.678 -168.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.31 154.14 8.92 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.48 1.514 . . . . 0.0 113.114 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 71.75 -9.62 4.76 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.452 1.741 . . . . 0.0 117.452 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -76.79 155.42 33.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.683 1.742 . . . . 0.0 112.436 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 77.67 167.29 29.05 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 124.527 1.06 . . . . 0.0 113.817 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.7 18.31 72.03 Favored Glycine 0 CA--C 1.54 1.638 0 O-C-N 121.856 -0.791 . . . . 0.0 115.062 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.21 165.71 48.91 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.942 1.258 . . . . 0.0 114.842 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 33.4 m -63.27 137.89 58.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.705 1.202 . . . . 0.0 113.335 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.86 -24.79 63.49 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.965 1.306 . . . . 0.0 113.511 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -76.11 -2.54 31.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -72.71 143.41 84.69 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 124.043 0.937 . . . . 0.0 112.762 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.74 155.94 57.82 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.595 2.864 . . . . 0.0 113.636 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 6.0 t -156.68 139.06 14.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.108 1.363 . . . . 0.0 110.821 171.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 34.3 t -151.46 75.6 1.18 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.056 1.742 . . . . 0.0 109.644 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m 59.42 22.68 11.16 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.679 1.591 . . . . 0.0 114.323 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -144.2 -176.42 5.01 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.177 2.191 . . . . 0.0 110.568 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.65 -26.63 3.09 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 120.768 -1.207 . . . . 0.0 114.404 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -60.13 -41.92 93.7 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.719 1.259 . . . . 0.0 111.491 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -65.68 -39.97 91.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.138 1.375 . . . . 0.0 112.44 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.68 -41.73 59.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.435 1.094 . . . . 0.0 112.421 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.6 -42.74 98.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.59 1.156 . . . . 0.0 111.425 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.61 -49.74 69.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.78 1.232 . . . . 0.0 112.151 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 67.3 tp -60.03 -41.42 92.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.106 0.963 . . . . 0.0 112.848 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 63.5 m -63.03 -43.23 99.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.343 0.657 . . . . 0.0 112.014 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -62.52 -50.83 69.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.321 1.048 . . . . 0.0 111.698 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.1 -35.43 78.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.618 0.767 . . . . 0.0 112.334 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.6 t -63.24 -35.5 80.53 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.588 0.755 . . . . 0.0 112.891 172.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -84.78 -32.67 23.26 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 154.23 25.13 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.325 1.45 . . . . 0.0 113.48 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.4 t -61.35 154.73 23.19 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.55 1.14 . . . . 0.0 111.916 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.01 -30.17 70.14 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.981 -1.075 . . . . 0.0 111.817 170.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.76 -40.22 76.24 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.677 0.791 . . . . 0.0 112.911 171.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.251 1.02 . . . . 0.0 111.9 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.97 -39.49 78.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.919 1.288 . . . . 0.0 112.165 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.07 -42.76 79.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.175 0.59 . . . . 0.0 112.584 171.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.19 69.8 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.42 -38.84 92.42 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.486 1.039 . . . . 0.0 111.212 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.82 86.82 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.163 0.985 . . . . 0.0 111.854 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.54 70.61 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.752 0.821 . . . . 0.0 110.715 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.43 -45.18 95.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.852 0.861 . . . . 0.0 113.053 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.98 -29.33 68.33 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.284 0.947 . . . . 0.0 113.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -76.51 -33.62 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.266 1.026 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.02 -36.75 78.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.453 1.101 . . . . 0.0 112.77 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -79.33 -36.56 39.31 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -70.7 -25.29 62.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.904 1.229 . . . . 0.0 113.511 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.58 -6.72 53.15 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -133.7 -27.15 1.52 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 52.21 -175.33 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.558 2.343 . . . . 0.0 116.174 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.221 0 C-N-CA 125.181 1.372 . . . . 0.0 113.138 -176.315 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -60.29 154.37 53.09 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 124.549 3.5 . . . . 0.0 114.299 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.88 173.18 48.23 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.067 0.841 . . . . 0.0 113.688 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -150.18 160.68 43.49 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.872 1.269 . . . . 0.0 112.507 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -76.05 -14.46 60.2 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.02 147.58 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.114 2.565 . . . . 0.0 114.34 -168.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.58 150.38 63.11 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.009 2.473 . . . . 0.0 112.476 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -130.36 -7.61 4.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -142.68 -0.5 1.19 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 t -66.77 -28.82 68.7 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.79 -1.194 . . . . 0.0 113.26 -172.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -64.31 -28.46 69.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.227 1.011 . . . . 0.0 113.653 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.81 -47.88 84.36 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.106 1.321 . . . . 0.0 110.479 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 m -65.8 -33.5 76.01 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.127 0.971 . . . . 0.0 112.535 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.39 -47.57 63.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.783 -0.573 . . . . 0.0 112.455 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -67.21 -27.39 39.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 124.983 1.313 . . . . 0.0 112.395 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.3 -43.54 85.97 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.952 -1.092 . . . . 0.0 112.446 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.55 -24.76 35.04 Favored Glycine 0 CA--C 1.537 1.412 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -168.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.57 -179.91 1.88 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.066 1.346 . . . . 0.0 113.866 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.3 171.59 9.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.72 1.208 . . . . 0.0 112.842 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -60.05 -25.72 65.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -65.26 -33.95 77.19 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.38 1.072 . . . . 0.0 112.328 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -73.82 -39.66 63.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.545 1.138 . . . . 0.0 111.762 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.36 -45.94 92.3 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.363 0.665 . . . . 0.0 111.054 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.44 73.98 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.22 78.48 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.243 0.929 . . . . 0.0 113.14 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.49 -30.76 14.86 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.87 -35.48 43.75 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.25 1.02 . . . . 0.0 111.765 170.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.67 -127.79 37.13 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.009 0.814 . . . . 0.0 112.933 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -57.56 -27.01 62.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.511 1.525 . . . . 0.0 113.477 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -95.38 5.56 51.32 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.338 1.455 . . . . 0.0 114.044 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.42 137.83 58.09 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.995 -1.066 . . . . 0.0 111.861 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tp -58.39 137.19 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.212 0.605 . . . . 0.0 111.417 -176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -81.52 -8.0 59.66 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.38 -11.9 59.89 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.967 1.307 . . . . 0.0 113.708 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.54 32.8 79.61 Favored Glycine 0 CA--C 1.544 1.874 0 O-C-N 121.665 -0.647 . . . . 0.0 114.32 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.09 0.39 30.94 Favored Glycine 0 CA--C 1.538 1.485 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 -168.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 6.34 3.75 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.662 1.601 . . . . 0.0 116.767 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -58.72 -14.08 7.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.981 1.712 . . . . 0.0 115.339 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 -16.35 68.8 Favored Glycine 0 CA--C 1.541 1.683 0 O-C-N 121.326 -0.859 . . . . 0.0 114.333 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 121.97 27.46 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 119.082 1.441 . . . . 0.0 111.986 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.12 -1.45 48.53 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.189 1.376 . . . . 0.0 115.364 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 t -91.68 148.3 22.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.821 1.31 . . . . 0.0 111.674 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.8 31.77 81.93 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.932 0.777 . . . . 0.0 114.839 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -26.85 70.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.471 1.034 . . . . 0.0 114.788 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.04 139.73 24.67 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.475 1.036 . . . . 0.0 111.612 171.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -154.7 158.58 39.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 112.682 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 24.5 ptp -68.17 154.54 41.5 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.784 1.634 . . . . 0.0 113.568 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -77.67 147.72 35.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.676 0.79 . . . . 0.0 111.607 167.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -154.8 156.35 31.31 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 125.344 1.458 . . . . 0.0 112.265 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.09 155.61 68.91 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.168 2.579 . . . . 0.0 112.913 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 p -81.41 156.81 25.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.281 1.433 . . . . 0.0 112.431 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.2 t -152.52 138.54 18.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.97 1.308 . . . . 0.0 111.798 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.4 m -66.21 -24.63 66.65 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 175.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -85.44 -12.58 51.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.793 1.237 . . . . 0.0 113.255 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.41 -2.71 35.72 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.763 1.649 . . . . 0.0 116.06 -171.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.418 ' CZ2' ' HE2' ' A' ' 57' ' ' LYS . 42.3 p-90 -59.15 -26.98 65.23 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.766 1.283 . . . . 0.0 113.37 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.418 ' HE2' ' CZ2' ' A' ' 56' ' ' TRP . 14.8 ptpt -84.76 -45.93 11.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.095 1.358 . . . . 0.0 112.358 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.74 -49.06 50.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.414 1.086 . . . . 0.0 112.477 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.64 -27.93 64.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.265 0.626 . . . . 0.0 112.256 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -74.0 -55.37 6.23 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.518 1.127 . . . . 0.0 111.184 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.98 -34.39 77.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.233 0.613 . . . . 0.0 112.239 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.92 0.888 . . . . 0.0 112.298 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.85 -42.81 94.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.062 -1.024 . . . . 0.0 112.109 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.2 -28.8 69.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.7 0.682 . . . . 0.0 112.385 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 p -71.94 -28.94 63.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.549 1.068 . . . . 0.0 113.795 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.09 -44.88 52.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.664 1.186 . . . . 0.0 112.44 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 148.41 51.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.027 1.331 . . . . 0.0 112.739 -172.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -72.97 169.8 16.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.481 1.113 . . . . 0.0 113.66 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -47.94 -51.4 23.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.872 1.669 . . . . 0.0 112.364 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.71 -39.81 88.21 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.388 1.075 . . . . 0.0 111.985 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.83 -40.11 87.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.452 0.701 . . . . 0.0 112.661 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.93 -45.44 92.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.526 1.13 . . . . 0.0 112.092 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 mtp -62.72 -40.24 96.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.026 0.53 . . . . 0.0 112.42 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.26 61.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.22 -38.08 89.29 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.182 -0.949 . . . . 0.0 111.387 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.09 92.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.208 1.003 . . . . 0.0 112.11 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.86 -47.28 84.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.145 0.578 . . . . 0.0 111.371 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -60.83 -45.84 92.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.005 0.922 . . . . 0.0 113.106 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.97 -25.94 62.94 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.112 0.869 . . . . 0.0 113.311 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -71.15 -37.03 72.25 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.242 0.928 . . . . 0.0 112.359 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.79 -38.0 82.76 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.468 1.107 . . . . 0.0 112.878 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -78.99 -38.29 37.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.607 0.763 . . . . 0.0 112.729 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -69.65 -24.27 63.6 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 113.186 -170.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.24 -7.28 58.92 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -128.12 -11.66 5.26 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.12 159.21 31.42 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.908 1.231 . . . . 0.0 111.881 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.305 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.755 -179.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -74.01 -16.77 22.74 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.902 3.068 . . . . 0.0 114.891 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.34 -146.15 48.42 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 113.426 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.9 m -84.68 6.03 25.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 61.81 -42.36 0.15 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 129.288 3.035 . . . . 0.0 117.189 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.61 147.07 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.218 0 C-N-CA 128.862 2.865 . . . . 0.0 114.884 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.9 143.16 54.06 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.073 2.516 . . . . 0.0 113.119 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.07 -11.56 0.19 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.056 1.342 . . . . 0.0 114.372 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -144.36 30.0 1.27 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.394 1.878 . . . . 0.0 112.563 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.2 p -67.14 163.14 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.7 1.6 . . . . 0.0 112.346 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -62.66 -17.54 60.67 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.983 1.313 . . . . 0.0 113.438 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.63 -56.16 3.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.218 1.007 . . . . 0.0 111.378 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.5 p -69.35 -27.47 65.37 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.69 -43.78 71.77 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.076 -1.015 . . . . 0.0 111.492 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 37.9 mm -66.64 -31.19 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.105 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.76 -28.78 66.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 170.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -87.27 -32.38 14.11 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.483 1.04 . . . . 0.0 115.646 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.05 -179.05 4.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.784 1.634 . . . . 0.0 113.732 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.65 175.8 8.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.022 1.329 . . . . 0.0 113.089 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -61.16 -25.51 67.06 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -174.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -65.95 -34.52 78.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.087 0.955 . . . . 0.0 112.168 172.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -75.89 -37.93 58.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.256 1.022 . . . . 0.0 111.863 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -47.01 85.45 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.64 -0.662 . . . . 0.0 111.517 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.84 76.69 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.06 68.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -29.44 11.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.7 -38.84 58.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.315 1.046 . . . . 0.0 111.923 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.74 -124.82 37.41 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.165 0.888 . . . . 0.0 112.816 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.03 -26.43 66.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.919 1.288 . . . . 0.0 113.658 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -87.82 1.95 52.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.812 1.245 . . . . 0.0 113.863 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.74 146.02 43.01 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.277 -0.889 . . . . 0.0 112.6 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.33 140.58 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 112.483 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -94.77 0.36 54.87 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.25 159.89 32.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.901 1.28 . . . . 0.0 113.077 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -72.15 -7.79 68.1 Favored Glycine 0 CA--C 1.541 1.67 0 N-CA-C 115.789 1.076 . . . . 0.0 115.789 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -173.06 157.32 26.27 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.341 1.448 . . . . 0.0 112.5 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.58 156.1 40.37 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.472 1.034 . . . . 0.0 113.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 96.9 p -79.16 176.53 9.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.633 1.573 . . . . 0.0 112.751 173.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -179.1 172.28 44.39 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.757 1.17 . . . . 0.0 113.342 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -69.45 145.14 41.88 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.105 0.86 . . . . 0.0 113.559 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.6 -22.35 67.2 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 115.571 0.988 . . . . 0.0 115.571 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 56.0 m -146.29 150.81 36.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.348 1.459 . . . . 0.0 112.257 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.02 -17.05 75.5 Favored Glycine 0 CA--C 1.544 1.871 0 C-N-CA 124.087 0.851 . . . . 0.0 114.674 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 172.69 -171.27 44.25 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.481 1.515 . . . . 0.0 112.167 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -178.71 165.28 34.29 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.769 0.7 . . . . 0.0 114.615 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -88.53 11.53 16.93 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.243 1.817 . . . . 0.0 114.033 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 153.67 20.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.435 1.494 . . . . 0.0 113.896 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -81.99 136.54 35.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.76 1.224 . . . . 0.0 112.195 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -72.5 145.09 87.22 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 124.717 1.207 . . . . 0.0 112.234 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -69.3 167.41 23.93 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 123.071 2.514 . . . . 0.0 112.554 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 41.5 p -65.86 162.6 18.63 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.917 1.287 . . . . 0.0 112.958 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 16.9 p 61.42 21.91 12.41 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.072 2.149 . . . . 0.0 116.218 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 52.3 p -56.32 140.07 46.28 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.416 1.086 . . . . 0.0 112.098 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -144.8 -2.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 89.92 -51.47 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 126.376 1.941 . . . . 0.0 114.163 171.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -64.86 -44.78 88.59 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.587 1.193 . . . . 0.0 112.519 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.82 -39.55 63.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.751 1.22 . . . . 0.0 112.123 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.95 -51.71 68.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.785 1.234 . . . . 0.0 111.942 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.85 -50.91 64.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.536 0.734 . . . . 0.0 111.417 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -59.45 -48.52 81.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.551 0.74 . . . . 0.0 112.439 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.289 -0.882 . . . . 0.0 112.415 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 49.5 m -69.42 -19.54 63.8 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -79.16 -53.23 7.19 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.194 1.398 . . . . 0.0 110.533 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.66 -26.83 68.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.283 1.033 . . . . 0.0 113.242 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 84.8 p -65.3 -28.46 69.33 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.648 -1.283 . . . . 0.0 113.195 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -80.92 -42.99 20.49 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.884 1.273 . . . . 0.0 113.688 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.47 148.21 52.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.654 1.581 . . . . 0.0 112.405 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 57.0 p -69.59 162.38 27.71 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.373 1.069 . . . . 0.0 112.781 175.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.15 -35.83 65.15 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.209 -0.932 . . . . 0.0 112.917 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -66.06 -44.67 83.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.052 0.941 . . . . 0.0 111.865 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.25 -38.36 87.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.786 0.834 . . . . 0.0 112.843 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.43 -44.32 95.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 111.691 174.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 62.5 mtm -61.38 -43.46 98.83 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 170.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.34 68.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.3 -40.57 97.71 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.335 0.97 . . . . 0.0 111.824 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.76 93.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.578 1.151 . . . . 0.0 112.84 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.99 -46.53 71.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.727 . . . . 0.0 110.784 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -58.96 -49.93 76.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.737 0.815 . . . . 0.0 112.534 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.56 -27.25 66.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.95 -43.37 54.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.087 0.955 . . . . 0.0 112.037 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.53 -38.21 88.98 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.841 0.856 . . . . 0.0 112.012 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -78.33 -31.16 48.57 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -76.11 -31.0 58.45 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.951 1.251 . . . . 0.0 113.326 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.71 -19.1 55.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -97.1 -20.96 17.63 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -87.24 155.9 19.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.415 1.086 . . . . 0.0 112.731 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.239 0 C-N-CA 125.339 1.447 . . . . 0.0 114.028 177.747 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 CA-C-O 119.559 -0.578 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.38 160.18 24.5 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.225 3.284 . . . . 0.0 114.065 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.05 105.46 1.63 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.698 0.666 . . . . 0.0 111.721 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 t 62.27 161.33 0.08 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.329 1.852 . . . . 0.0 114.583 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -126.08 -4.7 6.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.305 1.842 . . . . 0.0 113.513 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 147.76 94.61 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.631 1.572 . . . . 0.0 113.371 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.63 145.29 63.34 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.752 2.968 . . . . 0.0 113.918 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -2.84 15.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.809 1.644 . . . . 0.0 113.063 165.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -106.7 27.45 8.86 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.19 2.196 . . . . 0.0 112.481 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -59.29 158.27 9.47 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.044 1.338 . . . . 0.0 113.776 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -58.5 -33.17 69.53 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.729 1.212 . . . . 0.0 112.472 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.14 -44.67 91.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.231 1.012 . . . . 0.0 111.152 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 p -65.13 -31.75 73.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.7 -53.07 9.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.617 1.167 . . . . 0.0 112.007 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.57 -32.75 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.159 1.384 . . . . 0.0 113.375 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.11 -19.88 61.73 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.036 -1.04 . . . . 0.0 113.539 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.4 -28.28 20.22 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.864 1.221 . . . . 0.0 115.083 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.99 175.05 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.742 1.617 . . . . 0.0 113.777 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.42 175.23 8.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 113.512 -169.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -55.66 -32.06 62.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 114.322 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.95 -37.36 86.76 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.568 1.147 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.07 -39.04 42.93 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.893 1.277 . . . . 0.0 111.987 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.03 -46.69 88.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.57 0.748 . . . . 0.0 111.625 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.47 78.06 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.78 77.96 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -29.76 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.2 -53.55 9.59 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.05 0.841 . . . . 0.0 111.757 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.62 100.68 0.06 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.297 1.427 . . . . 0.0 114.039 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 62.5 -35.63 0.12 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 128.667 2.787 . . . . 0.0 117.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.05 -2.78 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.907 1.683 . . . . 0.0 113.787 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -58.76 152.6 18.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.155 2.182 . . . . 0.0 112.982 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 tp -64.52 154.55 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.376 -173.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -97.31 -15.14 20.9 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -82.62 173.97 11.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.565 1.546 . . . . 0.0 111.854 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.75 141.6 40.49 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.536 -0.727 . . . . 0.0 111.308 165.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -171.75 44.18 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 117.435 0.617 . . . . 0.0 114.506 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.2 159.33 22.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.085 1.326 . . . . 0.0 113.772 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 t 62.52 153.4 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.678 1.991 . . . . 0.0 114.659 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.36 167.96 11.13 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.772 1.653 . . . . 0.0 112.509 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.42 153.06 16.88 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.884 0.754 . . . . 0.0 114.335 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.19 -177.25 33.17 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.483 1.04 . . . . 0.0 113.899 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.3 m -77.6 -12.43 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.104 1.361 . . . . 0.0 114.58 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.61 154.91 53.4 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.741 1.163 . . . . 0.0 114.373 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.43 171.21 54.86 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.352 1.453 . . . . 0.0 114.267 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -20.24 77.98 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.21 0.909 . . . . 0.0 115.045 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.9 p -102.97 2.98 35.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.808 1.643 . . . . 0.0 113.869 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mtp -100.77 148.46 24.89 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.715 1.206 . . . . 0.0 112.126 -171.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -137.05 116.09 12.41 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 129.16 2.984 . . . . 0.0 111.168 6.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -66.87 157.04 85.61 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 125.594 1.557 . . . . 0.0 112.649 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.92 141.03 93.39 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 123.154 2.569 . . . . 0.0 112.321 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -145.68 166.74 24.94 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.961 1.705 . . . . 0.0 112.034 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.0 p -69.56 -37.33 76.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.079 0.952 . . . . 0.0 112.309 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -72.54 154.63 40.71 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.979 1.312 . . . . 0.0 112.041 168.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.86 -3.92 21.6 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.51 41.95 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 115.058 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -66.5 -33.62 76.1 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.574 1.187 . . . . 0.0 113.876 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -86.06 -42.14 14.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.52 -49.43 73.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.387 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -68.34 -42.52 79.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.318 0.647 . . . . 0.0 112.271 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 -46.31 83.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.194 0.998 . . . . 0.0 112.029 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -40.96 98.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.657 0.783 . . . . 0.0 112.086 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.3 t -60.56 -45.02 95.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 0.0 112.404 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -64.32 -51.84 61.46 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.519 1.528 . . . . 0.0 111.112 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.95 -28.39 69.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.945 0.898 . . . . 0.0 113.113 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -65.27 -30.26 71.12 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.059 -1.026 . . . . 0.0 113.223 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -93.81 -21.19 19.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.49 151.57 42.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.253 1.021 . . . . 0.0 111.688 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 t -66.7 160.18 26.19 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.228 1.011 . . . . 0.0 112.673 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -57.44 -36.8 71.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.672 -1.267 . . . . 0.0 112.4 171.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -63.86 -42.48 97.52 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.472 -0.767 . . . . 0.0 112.678 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.67 -40.63 88.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.231 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.62 -48.57 79.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.946 1.298 . . . . 0.0 111.757 174.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.9 mtm -62.62 -40.52 97.24 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -46.05 63.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.97 -38.47 91.19 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.312 0.96 . . . . 0.0 111.175 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.53 -48.32 78.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.375 1.07 . . . . 0.0 111.806 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.96 -45.12 95.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.405 -0.809 . . . . 0.0 111.262 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.71 -47.91 83.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.471 0.708 . . . . 0.0 112.806 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.44 -26.26 64.51 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.954 0.797 . . . . 0.0 112.652 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -74.32 -32.16 62.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.766 1.226 . . . . 0.0 112.878 172.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.37 -38.55 65.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.409 1.084 . . . . 0.0 113.017 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -80.69 -27.06 37.14 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -72.94 -32.2 65.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.228 0.922 . . . . 0.0 113.228 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 pp -76.67 -11.4 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -101.45 3.64 40.54 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 113.626 175.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -69.0 153.3 44.03 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 112.926 178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.458 0 C-N-CA 125.378 1.466 . . . . 0.0 113.013 179.781 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 CA-C-O 119.664 -0.52 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.73 152.28 50.27 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.309 3.339 . . . . 0.0 114.037 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.65 12.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.14 0.876 . . . . 0.0 113.124 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m 59.33 31.66 21.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.77 1.628 . . . . 0.0 114.653 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.61 -18.99 62.88 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.837 1.255 . . . . 0.0 114.215 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.71 159.89 0.12 Allowed Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 128.213 2.605 . . . . 0.0 115.117 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -62.54 162.82 23.02 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.195 2.597 . . . . 0.0 114.504 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -76.96 -22.99 52.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.038 0.935 . . . . 0.0 112.488 167.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.46 17.01 12.18 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.056 1.742 . . . . 0.0 113.829 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 67.2 p -64.1 152.81 39.45 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.551 -1.343 . . . . 0.0 112.947 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -61.85 -35.16 77.46 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.744 1.217 . . . . 0.0 113.31 -170.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.46 -49.46 66.57 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.939 0.896 . . . . 0.0 110.991 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -67.71 -29.87 69.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.97 0.908 . . . . 0.0 112.829 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.52 -52.93 48.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.579 1.152 . . . . 0.0 111.911 171.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.52 -30.02 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.84 -24.24 61.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.545 1.138 . . . . 0.0 113.476 171.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -14.97 67.77 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.566 1.079 . . . . 0.0 115.371 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.4 175.52 5.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.734 2.014 . . . . 0.0 112.936 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.31 178.51 6.2 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.632 1.173 . . . . 0.0 113.514 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -58.18 -29.49 65.67 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.22 -35.06 79.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.31 1.044 . . . . 0.0 112.385 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.04 -33.22 51.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.7 1.2 . . . . 0.0 112.287 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.01 -46.75 73.56 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.291 0.636 . . . . 0.0 111.105 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.34 67.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.186 0.994 . . . . 0.0 113.051 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.93 -16.83 64.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.39 -26.07 5.08 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.26 -35.29 63.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.672 1.189 . . . . 0.0 112.228 170.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.72 -126.02 40.99 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.344 0.973 . . . . 0.0 113.211 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.66 -22.6 65.44 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.08 1.352 . . . . 0.0 113.723 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -89.86 3.32 53.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.018 1.327 . . . . 0.0 113.73 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.33 141.34 58.8 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.177 -0.952 . . . . 0.0 111.592 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 tp -64.54 140.92 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 123.778 0.831 . . . . 0.0 112.602 -172.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.04 -4.02 59.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.53 -5.99 52.03 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.886 1.274 . . . . 0.0 113.048 167.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.89 -27.4 3.02 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.518 1.533 . . . . 0.0 114.45 -173.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 179.15 135.56 2.41 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.741 1.639 . . . . 0.0 111.004 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -88.8 88.47 1.53 Allowed Glycine 0 CA--C 1.53 1.012 0 CA-C-N 117.849 0.824 . . . . 0.0 113.015 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 89.1 p -72.53 161.5 30.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.864 1.666 . . . . 0.0 113.693 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 171.11 -162.44 35.26 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.42 1.486 . . . . 0.0 113.259 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 75.4 33.88 51.95 Favored Glycine 0 CA--C 1.539 1.547 0 N-CA-C 115.014 0.766 . . . . 0.0 115.014 170.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.79 -172.22 9.56 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.06 1.315 . . . . 0.0 114.633 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.8 t -63.78 134.96 56.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.769 0.828 . . . . 0.0 112.227 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 173.68 -168.51 41.42 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.809 1.195 . . . . 0.0 113.641 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.91 164.21 49.77 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.15 0.881 . . . . 0.0 113.939 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.74 177.87 46.04 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.629 -0.924 . . . . 0.0 113.296 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 24.1 t -67.76 146.63 53.55 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.906 0.882 . . . . 0.0 112.699 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 6.0 tpt -151.99 -57.95 0.15 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -71.36 150.68 44.83 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.965 0.906 . . . . 0.0 111.461 170.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -59.08 144.65 82.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.492 1.117 . . . . 0.0 112.93 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.65 158.72 55.91 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.255 2.637 . . . . 0.0 113.535 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 66.0 p -80.73 7.42 10.32 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.006 1.722 . . . . 0.0 113.789 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 85.2 p -139.98 170.43 15.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.132 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 81.1 p -76.06 -3.21 34.64 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -68.25 156.25 38.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.274 1.035 . . . . 0.0 113.646 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -160.72 -33.67 0.02 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.857 1.694 . . . . 0.0 112.792 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -51.3 -39.95 57.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.669 1.588 . . . . 0.0 112.08 164.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -64.08 -50.44 68.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.598 1.959 . . . . 0.0 112.148 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -64.15 -45.42 88.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.234 1.014 . . . . 0.0 111.557 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.16 -49.8 74.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.679 0.792 . . . . 0.0 111.953 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.8 -52.69 63.18 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.13 0.972 . . . . 0.0 111.571 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.59 -39.21 93.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.014 0.824 . . . . 0.0 112.497 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 19.2 t -67.01 -35.89 80.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.529 0.604 . . . . 0.0 112.612 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.06 -50.09 62.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.238 0.926 . . . . 0.0 111.39 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.1 -34.02 67.91 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 51.9 p -67.3 -29.93 69.65 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.349 0.977 . . . . 0.0 113.606 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -78.6 -32.56 47.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.674 1.59 . . . . 0.0 112.617 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.05 147.11 53.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.025 1.33 . . . . 0.0 112.647 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.7 t -64.35 159.55 20.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.868 1.267 . . . . 0.0 112.025 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -43.26 -49.94 6.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.733 1.613 . . . . 0.0 111.578 165.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.03 -36.59 83.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.766 1.226 . . . . 0.0 112.126 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.53 -37.56 74.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.589 1.155 . . . . 0.0 112.555 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.28 -40.69 97.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.678 1.191 . . . . 0.0 112.046 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.99 -42.13 97.3 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.862 0.755 . . . . 0.0 112.172 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.9 68.84 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.3 -38.71 91.05 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.401 1.001 . . . . 0.0 111.764 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.18 91.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.251 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.48 -48.18 82.89 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.968 0.907 . . . . 0.0 110.933 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.61 -45.23 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.13 -23.82 64.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.674 1.125 . . . . 0.0 112.987 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.4 -39.39 47.34 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.28 -34.92 78.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.008 0.923 . . . . 0.0 112.793 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -82.51 -24.2 34.24 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.5 -32.16 37.05 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.099 1.318 . . . . 0.0 113.131 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.5 -21.29 62.77 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.82 -6.63 54.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.614 1.166 . . . . 0.0 114.042 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.38 143.4 50.2 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.335 -0.853 . . . . 0.0 112.195 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.918 1.723 . . . . 0.0 112.915 177.049 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 CA-C-O 119.568 -0.574 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.48 -24.43 30.98 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.487 2.791 . . . . 0.0 113.528 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.99 37.86 1.74 Allowed Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.929 1.728 . . . . 0.0 114.471 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 144.85 54.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 113.071 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -73.68 -15.43 61.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.304 1.441 . . . . 0.0 113.747 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.67 161.35 0.12 Allowed Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 127.828 2.451 . . . . 0.0 114.578 -170.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -61.83 157.69 41.74 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.484 2.789 . . . . 0.0 114.303 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.59 -23.81 1.81 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.106 1.362 . . . . 0.0 113.626 173.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -88.1 44.72 1.22 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.553 1.541 . . . . 0.0 111.623 172.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.2 p -67.03 162.28 22.5 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.309 1.443 . . . . 0.0 112.537 -176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.53 -22.91 67.15 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.65 -36.85 79.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.587 1.085 . . . . 0.0 111.893 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 t -74.68 -40.27 61.5 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.995 0.918 . . . . 0.0 112.296 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.03 -44.7 95.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.057 0.943 . . . . 0.0 112.792 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.9 mm -66.82 -27.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 0.0 113.022 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.99 -27.64 57.52 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.764 -1.21 . . . . 0.0 113.494 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.33 -34.88 24.89 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.472 1.034 . . . . 0.0 115.042 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 pp -74.65 179.36 4.79 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.742 1.617 . . . . 0.0 113.422 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 173.88 9.67 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.676 1.19 . . . . 0.0 113.106 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.71 -29.16 64.48 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -172.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -66.64 -31.3 71.89 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.804 0.842 . . . . 0.0 112.645 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -78.35 -34.25 48.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.58 1.152 . . . . 0.0 112.029 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.95 -49.19 77.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.226 0.61 . . . . 0.0 110.394 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.39 70.17 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.02 -17.47 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.08 -25.96 5.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.4 -35.51 65.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.281 1.032 . . . . 0.0 111.398 166.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.33 -129.16 47.1 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.572 1.082 . . . . 0.0 112.913 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -59.97 -25.02 64.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.059 1.344 . . . . 0.0 113.505 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -86.22 1.04 52.26 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.145 1.378 . . . . 0.0 114.296 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.55 141.98 55.93 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.224 -0.923 . . . . 0.0 111.619 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -61.88 138.99 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.802 0.841 . . . . 0.0 112.056 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -85.6 -5.75 59.24 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -74.73 -15.84 60.76 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.41 1.884 . . . . 0.0 112.422 169.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.58 178.63 50.29 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.575 1.559 . . . . 0.0 113.532 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.46 133.01 35.58 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 122.013 -0.698 . . . . 0.0 112.869 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.13 -169.39 42.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.013 1.292 . . . . 0.0 113.315 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 p 61.09 176.59 0.11 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.468 2.307 . . . . 0.0 114.958 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.66 177.42 51.76 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.561 1.077 . . . . 0.0 114.474 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.03 -139.27 5.76 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.463 1.03 . . . . 0.0 113.375 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.66 48.97 9.49 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.028 0.823 . . . . 0.0 113.738 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 m -77.81 -7.05 56.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.382 1.473 . . . . 0.0 113.728 172.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.29 177.06 32.69 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.037 1.779 . . . . 0.0 112.96 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.63 84.77 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.514 1.054 . . . . 0.0 115.318 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.91 -24.69 71.65 Favored Glycine 0 CA--C 1.537 1.468 0 O-C-N 121.219 -1.165 . . . . 0.0 114.499 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.1 t -59.45 -36.29 75.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.854 1.262 . . . . 0.0 113.42 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.47 -4.31 47.84 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.869 1.268 . . . . 0.0 113.588 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -133.21 13.59 4.22 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.928 1.691 . . . . 0.0 113.999 -168.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.28 147.14 95.42 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.602 1.161 . . . . 0.0 112.256 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.43 154.49 73.65 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.34 2.693 . . . . 0.0 112.037 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -153.92 157.37 39.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.482 1.113 . . . . 0.0 112.151 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -71.09 145.11 50.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.484 1.514 . . . . 0.0 112.081 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -71.6 163.67 27.31 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.953 2.901 . . . . 0.0 114.102 -1.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 64.72 -78.03 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.08 2.152 . . . . 0.0 114.497 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.46 -40.17 1.29 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.897 1.713 . . . . 0.0 114.273 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -57.23 -35.23 69.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.75 1.22 . . . . 0.0 113.028 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -68.23 -41.11 81.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.448 1.099 . . . . 0.0 112.996 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.41 -43.34 73.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.451 0.7 . . . . 0.0 111.796 172.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.41 -39.85 95.62 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.498 1.119 . . . . 0.0 112.493 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -72.4 -54.6 8.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.587 1.155 . . . . 0.0 112.288 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.3 tp -64.33 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 t -58.14 -45.76 86.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.758 0.823 . . . . 0.0 112.445 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -63.86 -42.98 97.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.382 -0.823 . . . . 0.0 111.685 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.84 -25.96 67.45 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -74.26 -35.51 63.79 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.206 -0.934 . . . . 0.0 113.147 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -73.29 -38.57 65.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.158 1.383 . . . . 0.0 114.571 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.84 157.41 37.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.01 1.324 . . . . 0.0 113.804 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -65.8 158.13 28.54 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.679 1.592 . . . . 0.0 112.818 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -59.17 -36.56 75.52 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.983 -1.073 . . . . 0.0 113.026 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -65.43 -40.23 93.08 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.456 -0.778 . . . . 0.0 112.224 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.78 -37.33 81.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.909 0.883 . . . . 0.0 112.597 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.01 -44.72 97.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.453 1.101 . . . . 0.0 112.109 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 54.3 mtm -59.57 -43.51 93.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.323 0.511 . . . . 0.0 112.088 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.86 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.34 -38.21 90.25 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.459 1.027 . . . . 0.0 111.332 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.25 86.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.627 1.171 . . . . 0.0 112.093 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.3 -43.72 93.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.217 -0.927 . . . . 0.0 111.368 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -59.25 -51.08 71.52 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.945 0.898 . . . . 0.0 112.723 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.84 -26.75 66.2 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.012 0.824 . . . . 0.0 112.988 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.62 -35.09 58.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.678 1.191 . . . . 0.0 112.841 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -73.19 -35.16 66.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.056 0.942 . . . . 0.0 113.058 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -79.08 -36.4 40.87 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.68 -26.28 67.71 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.309 0.959 . . . . 0.0 113.4 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 pp -82.7 -5.19 58.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.173 1.389 . . . . 0.0 114.229 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -128.25 -22.46 3.41 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 149.4 49.02 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.727 1.149 . . . . 0.0 113.026 175.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 C-N-CA 125.239 1.399 . . . . 0.0 112.834 179.075 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 CA-C-O 119.433 -0.648 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.24 155.61 68.72 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.77 2.98 . . . . 0.0 112.613 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.72 3.77 72.98 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 125.012 1.292 . . . . 0.0 115.411 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 39.3 t -151.15 155.47 38.96 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.47 1.508 . . . . 0.0 112.645 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -71.94 -18.33 62.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.066 1.346 . . . . 0.0 113.397 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.01 144.69 93.8 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 125.05 1.34 . . . . 0.0 112.769 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -67.61 146.63 74.21 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.063 2.508 . . . . 0.0 112.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.91 -14.04 0.54 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -146.33 28.71 1.08 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.357 1.463 . . . . 0.0 112.589 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 67.0 p -76.03 169.68 17.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.15 1.38 . . . . 0.0 113.432 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -59.89 -31.25 69.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.52 1.528 . . . . 0.0 112.955 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -47.86 84.49 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.102 0.961 . . . . 0.0 110.67 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.2 m -62.44 -30.77 71.47 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -75.01 -53.83 8.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.832 0.853 . . . . 0.0 111.874 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.4 mm -65.76 -30.88 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.727 1.611 . . . . 0.0 113.043 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.83 -22.86 55.86 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.45 -36.8 13.33 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.915 1.245 . . . . 0.0 114.362 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.62 -178.14 6.6 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.891 1.276 . . . . 0.0 113.208 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.93 177.86 7.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.873 1.669 . . . . 0.0 112.679 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -56.01 -28.39 57.09 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.865 1.666 . . . . 0.0 114.434 -175.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -62.07 -38.49 88.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.121 0.968 . . . . 0.0 112.414 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -82.13 -34.49 29.17 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.1 0.96 . . . . 0.0 112.719 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.98 -47.93 84.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.21 0.459 . . . . 0.0 111.249 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.13 77.18 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.348 -0.845 . . . . 0.0 112.992 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.9 88.19 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.96 -29.33 16.69 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.99 -37.52 58.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.209 1.004 . . . . 0.0 112.403 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.44 -128.22 45.15 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.065 0.84 . . . . 0.0 112.848 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -62.13 -19.35 62.92 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.67 -3.93 58.17 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -58.09 143.74 42.58 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.84 0.856 . . . . 0.0 111.899 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 tp -62.48 148.86 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.461 1.105 . . . . 0.0 113.672 -167.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.53 40.45 1.26 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.516 1.527 . . . . 0.0 111.998 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -137.8 157.2 46.93 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.916 1.686 . . . . 0.0 112.155 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -71.66 166.49 53.05 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.773 1.178 . . . . 0.0 114.275 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 160.35 -18.16 0.22 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 115.546 0.978 . . . . 0.0 115.546 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 75.14 -168.69 54.79 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 118.242 1.021 . . . . 0.0 114.351 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -75.05 166.32 23.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.955 1.302 . . . . 0.0 113.857 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.77 -160.22 44.83 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.088 1.328 . . . . 0.0 114.851 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -169.56 175.53 43.74 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.912 1.244 . . . . 0.0 113.701 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -84.63 170.21 45.89 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.146 1.355 . . . . 0.0 114.915 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 27.7 t -157.56 149.06 21.84 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 112.021 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -102.69 3.44 49.48 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.929 1.728 . . . . 0.0 114.125 171.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.0 -157.58 45.29 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 118.715 1.258 . . . . 0.0 114.392 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.81 169.62 15.65 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.82 1.2 . . . . 0.0 114.656 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 33.5 t -62.39 136.79 58.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.855 1.262 . . . . 0.0 112.596 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 60.4 ttm -71.72 140.12 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.122 0.969 . . . . 0.0 112.334 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -115.27 143.6 45.0 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.597 1.159 . . . . 0.0 111.84 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -146.49 154.94 49.43 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 126.572 1.949 . . . . 0.0 111.447 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -66.94 166.36 23.02 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.025 2.483 . . . . 0.0 111.31 160.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 50.0 p -65.26 -11.48 41.63 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 17.1 m -71.44 -10.81 60.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.93 1.692 . . . . 0.0 115.102 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 43.1 t -149.37 137.94 20.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 111.952 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -74.18 131.23 41.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.605 0.762 . . . . 0.0 112.074 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.56 -23.67 23.16 Favored Glycine 0 N--CA 1.474 1.219 0 C-N-CA 124.152 0.882 . . . . 0.0 115.014 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -61.76 -43.98 97.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.071 1.435 . . . . 0.0 113.455 -166.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -73.34 -38.78 65.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 112.133 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.38 -47.67 47.57 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.106 0.962 . . . . 0.0 111.332 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.77 -36.85 82.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.824 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -73.32 -57.58 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.022 0.929 . . . . 0.0 111.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.49 -32.33 73.87 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.384 -0.823 . . . . 0.0 112.97 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.7 t -65.05 -24.41 67.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.779 1.232 . . . . 0.0 113.611 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -83.88 -47.86 10.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.308 1.043 . . . . 0.0 111.241 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.53 -20.3 66.14 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 96.4 p -75.69 -28.58 58.7 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.891 -1.13 . . . . 0.0 113.844 168.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.53 -41.14 11.56 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.526 1.53 . . . . 0.0 114.422 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.79 152.69 35.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.157 1.383 . . . . 0.0 112.588 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -75.54 153.54 37.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.109 0.964 . . . . 0.0 110.72 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -55.68 -31.49 62.44 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.676 -1.265 . . . . 0.0 113.601 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.89 -41.75 97.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.71 1.204 . . . . 0.0 112.176 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.63 -41.35 84.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.653 1.181 . . . . 0.0 112.021 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.49 -42.13 91.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.518 0.727 . . . . 0.0 111.926 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 28.0 mtm -61.7 -46.43 89.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.573 0.749 . . . . 0.0 112.002 170.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.54 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.99 -39.0 93.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.9 0.773 . . . . 0.0 111.27 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.57 83.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.176 0.991 . . . . 0.0 112.194 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.71 -45.55 92.22 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.176 -0.952 . . . . 0.0 111.319 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.02 -48.44 80.3 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.47 -27.26 66.0 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.129 0.877 . . . . 0.0 113.011 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.36 -39.87 71.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.975 1.31 . . . . 0.0 112.039 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.12 -38.94 82.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.693 0.797 . . . . 0.0 112.474 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -81.38 -23.82 37.41 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -78.69 -30.51 46.16 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.939 1.245 . . . . 0.0 113.166 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.84 -16.37 55.57 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -92.41 -4.58 53.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -117.28 158.19 24.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.225 1.41 . . . . 0.0 112.754 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.13 -1.372 . . . . 0.0 112.998 -179.165 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 CA-C-O 120.069 -0.295 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.76 148.56 65.32 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.84 3.026 . . . . 0.0 112.555 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.23 -175.27 49.91 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.827 1.203 . . . . 0.0 114.374 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.7 t -149.58 144.88 26.49 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.072 1.349 . . . . 0.0 111.911 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -75.7 -16.0 60.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.776 1.23 . . . . 0.0 114.156 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.86 151.75 0.1 Allowed Pre-proline 0 CA--C 1.557 1.248 0 C-N-CA 127.893 2.477 . . . . 0.0 114.285 -169.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 137.67 47.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.456 2.77 . . . . 0.0 113.522 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.3 -13.12 28.57 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.246 1.418 . . . . 0.0 113.082 168.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -85.81 5.18 33.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.098 1.759 . . . . 0.0 114.317 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.2 p -63.27 155.31 28.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.35 1.46 . . . . 0.0 114.079 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.74 -26.87 68.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.187 0.995 . . . . 0.0 112.566 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.62 -34.14 72.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.236 1.414 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -60.34 -36.18 77.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.23 1.012 . . . . 0.0 112.639 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -77.99 -48.2 16.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.503 0.721 . . . . 0.0 111.64 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -32.58 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.555 1.142 . . . . 0.0 112.783 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -75.6 -19.33 59.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.343 1.057 . . . . 0.0 113.812 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.67 -34.03 9.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.571 1.082 . . . . 0.0 114.722 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.98 -176.25 6.04 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.39 1.476 . . . . 0.0 113.941 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.85 176.15 8.94 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.675 1.59 . . . . 0.0 113.039 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -59.72 -26.4 65.59 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.76 -34.33 77.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.388 0.995 . . . . 0.0 112.841 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -81.18 -28.49 34.96 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.373 1.069 . . . . 0.0 112.947 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.52 -47.33 64.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.006 0.923 . . . . 0.0 110.88 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.5 67.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.752 0.821 . . . . 0.0 112.99 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -17.47 64.64 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.95 -26.46 5.17 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.66 -36.89 70.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.314 1.046 . . . . 0.0 112.296 170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.41 -126.03 41.09 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.407 1.003 . . . . 0.0 113.274 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -61.35 -31.91 71.79 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.64 10.37 11.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.591 1.157 . . . . 0.0 112.882 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.58 144.38 43.04 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.613 -0.68 . . . . 0.0 111.855 168.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp -59.13 143.85 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.409 1.084 . . . . 0.0 112.448 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -102.44 33.32 3.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.345 1.058 . . . . 0.0 112.735 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.68 12.67 3.81 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 128.094 2.558 . . . . 0.0 115.836 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 135.98 36.38 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 120.953 -1.092 . . . . 0.0 112.756 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.23 -3.74 37.25 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 125.073 1.32 . . . . 0.0 115.422 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.75 -156.26 49.4 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.063 1.431 . . . . 0.0 114.437 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -155.68 156.32 34.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.225 1.81 . . . . 0.0 110.891 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.19 -151.68 11.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.165 0.888 . . . . 0.0 114.216 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 -179.71 35.15 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.253 1.406 . . . . 0.0 113.441 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 -21.04 6.2 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.274 1.416 . . . . 0.0 115.05 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -78.89 -7.24 57.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.149 1.779 . . . . 0.0 113.928 171.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.95 -156.2 17.37 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.594 1.569 . . . . 0.0 112.265 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.4 -135.15 13.74 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.144 0.878 . . . . 0.0 113.552 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.43 -164.28 41.63 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.373 0.987 . . . . 0.0 113.144 -168.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -152.27 163.49 39.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.685 1.594 . . . . 0.0 111.843 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 76.3 mtm -142.88 155.86 44.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.073 1.349 . . . . 0.0 113.238 -171.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 51.68 51.46 16.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.724 2.01 . . . . 0.0 114.32 168.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -73.25 138.34 78.55 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 123.907 0.883 . . . . 0.0 110.204 172.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.51 137.34 35.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.912 2.408 . . . . 0.0 112.331 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -68.83 -19.61 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.581 1.153 . . . . 0.0 114.095 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -79.11 -8.31 58.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.713 1.605 . . . . 0.0 114.112 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -67.4 148.44 51.59 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.394 0.997 . . . . 0.0 112.875 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -77.87 148.21 34.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.15 0.98 . . . . 0.0 112.698 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.12 -27.92 73.54 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.049 -1.032 . . . . 0.0 114.622 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -65.85 -40.51 91.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 1.247 . . . . 0.0 111.947 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.66 -42.61 50.8 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 112.758 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.47 -52.99 61.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.387 0.675 . . . . 0.0 112.448 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.65 -38.91 67.52 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.362 -0.836 . . . . 0.0 112.522 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.62 -44.2 82.66 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.887 -0.508 . . . . 0.0 111.877 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.6 tp -65.4 -36.3 83.54 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.404 -0.81 . . . . 0.0 111.849 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.2 t -63.97 -36.29 83.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.791 0.836 . . . . 0.0 112.8 171.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -61.5 -55.48 30.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.931 -1.105 . . . . 0.0 111.284 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.64 -21.6 65.36 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -77.39 -35.85 53.97 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.642 1.564 . . . . 0.0 113.343 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -85.88 -27.82 24.78 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.06 157.21 38.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.707 1.203 . . . . 0.0 112.495 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.76 154.5 31.9 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.662 1.185 . . . . 0.0 112.076 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -51.36 -37.49 48.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.841 -1.162 . . . . 0.0 113.148 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -66.34 -38.33 87.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.258 1.023 . . . . 0.0 112.912 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.42 -40.21 85.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.496 1.118 . . . . 0.0 111.589 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.03 -39.32 85.51 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.951 0.796 . . . . 0.0 112.291 172.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.4 mtm -64.35 -43.75 93.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.674 0.67 . . . . 0.0 112.079 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.25 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -62.94 -37.87 88.79 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.994 0.816 . . . . 0.0 111.467 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.17 78.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.825 0.85 . . . . 0.0 111.966 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -44.73 83.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.722 0.809 . . . . 0.0 110.973 175.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -58.43 -52.01 67.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.024 0.93 . . . . 0.0 112.751 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.19 -25.7 65.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -73.02 -38.18 66.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.792 1.237 . . . . 0.0 112.315 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.68 -37.25 70.75 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.151 0.98 . . . . 0.0 112.436 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -76.41 -33.4 58.83 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -72.72 -25.3 61.17 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.931 -1.106 . . . . 0.0 113.278 -174.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -85.75 -13.29 48.76 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -104.31 -20.12 13.87 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.13 157.14 38.31 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.523 0.729 . . . . 0.0 112.644 175.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.319 0 C-N-CA 125.575 1.559 . . . . 0.0 113.185 -177.844 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 CA-C-O 119.678 -0.512 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -63.12 -24.68 73.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.213 3.276 . . . . 0.0 115.631 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.52 40.19 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.202 1.382 . . . . 0.0 112.586 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -140.38 148.16 40.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.211 -176.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -79.25 -11.46 59.95 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 65.85 145.95 0.1 OUTLIER Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 128.377 2.671 . . . . 0.0 114.743 -170.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.47 157.4 52.98 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.53 2.82 . . . . 0.0 113.734 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.1 -18.93 0.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.536 1.534 . . . . 0.0 113.682 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.2 4.06 30.81 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.626 1.97 . . . . 0.0 113.472 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 68.2 p -72.43 162.68 29.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.076 1.35 . . . . 0.0 112.181 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.61 -28.09 69.39 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.71 -0.618 . . . . 0.0 112.466 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.05 -40.81 95.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.133 0.973 . . . . 0.0 111.541 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -70.68 -34.82 72.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.161 0.984 . . . . 0.0 112.864 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -72.24 -46.74 54.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.587 0.755 . . . . 0.0 112.544 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mm -65.96 -25.53 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 125.354 1.461 . . . . 0.0 112.584 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.13 -20.57 44.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 169.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.7 25.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.448 1.023 . . . . 0.0 113.939 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.32 178.51 8.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.822 1.649 . . . . 0.0 113.048 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.27 178.75 6.57 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.173 1.389 . . . . 0.0 112.98 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -58.76 -31.81 68.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.75 1.22 . . . . 0.0 114.167 -171.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.84 -33.35 75.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.984 0.914 . . . . 0.0 112.459 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.33 -38.1 51.12 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.272 1.029 . . . . 0.0 111.686 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.91 -50.12 75.23 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.426 0.69 . . . . 0.0 110.798 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -34.07 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.893 0.769 . . . . 0.0 112.968 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.45 79.13 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.42 -31.33 33.21 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.4 -41.53 76.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.197 0.908 . . . . 0.0 111.537 167.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.44 81.2 0.57 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 124.699 1.142 . . . . 0.0 112.437 169.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 61.43 -17.38 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.796 2.439 . . . . 0.0 115.791 -166.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.91 6.31 5.31 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.594 1.558 . . . . 0.0 114.801 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.57 146.02 21.63 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.52 1.128 . . . . 0.0 112.106 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 tp -64.13 139.89 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -114.61 13.7 17.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.518 1.527 . . . . 0.0 113.13 172.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -68.56 141.92 55.36 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.258 -0.901 . . . . 0.0 111.87 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 62.01 19.47 59.07 Favored Glycine 0 CA--C 1.541 1.659 0 O-C-N 121.658 -0.652 . . . . 0.0 114.681 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.98 10.19 66.83 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.322 1.439 . . . . 0.0 114.861 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 91.78 -149.38 19.72 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.198 1.38 . . . . 0.0 113.926 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t 61.28 34.14 18.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.111 1.365 . . . . 0.0 113.743 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.23 154.26 11.2 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.466 1.507 . . . . 0.0 114.465 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.84 179.35 50.01 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.57 1.081 . . . . 0.0 115.297 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.13 134.25 48.79 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.463 1.03 . . . . 0.0 114.765 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 11.0 t -168.33 140.79 2.94 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.794 1.638 . . . . 0.0 112.339 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.94 146.01 4.65 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 169.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.44 79.36 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.147 1.356 . . . . 0.0 116.388 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.55 149.24 50.55 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 118.516 1.158 . . . . 0.0 113.114 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 9.0 m 57.37 22.29 7.7 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 30.1 ttm -76.09 26.26 0.12 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.167 -1.583 . . . . 0.0 113.597 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -164.86 151.4 10.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.106 2.162 . . . . 0.0 110.589 -170.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.07 143.1 98.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.951 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -54.79 149.56 40.66 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.84 3.027 . . . . 0.0 113.518 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 65.6 p -101.54 -26.51 13.52 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.415 1.086 . . . . 0.0 112.32 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 8.0 t 54.42 38.88 30.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.767 2.027 . . . . 0.0 114.643 165.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 65.6 p -63.83 -37.78 88.65 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.128 -0.982 . . . . 0.0 111.538 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.75 131.64 44.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.05 2.14 . . . . 0.0 108.556 156.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.1 62.29 Favored Glycine 0 N--CA 1.474 1.187 0 O-C-N 121.783 -0.573 . . . . 0.0 113.405 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -64.06 -28.3 69.69 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.637 1.175 . . . . 0.0 112.899 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -73.76 -48.4 31.99 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.046 1.339 . . . . 0.0 111.017 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.6 -55.57 19.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -69.74 -20.43 63.51 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -167.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -79.93 -54.52 5.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.182 0.993 . . . . 0.0 111.538 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.39 -35.97 80.85 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.958 0.903 . . . . 0.0 112.511 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 35.1 t -62.61 -25.76 68.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.837 1.655 . . . . 0.0 113.527 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -84.6 -47.88 10.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.394 -0.816 . . . . 0.0 111.778 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.93 -22.93 66.02 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.3 p -70.28 -18.21 63.11 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -123.54 -17.06 6.59 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.22 144.81 56.85 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.646 0.657 . . . . 0.0 109.954 160.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.8 t -64.29 155.01 33.45 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.964 0.906 . . . . 0.0 112.625 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.02 -35.96 62.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.123 -0.985 . . . . 0.0 111.844 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.78 -38.08 89.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.855 0.862 . . . . 0.0 113.095 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.71 -38.8 73.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.587 0.755 . . . . 0.0 112.211 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.5 -40.89 98.19 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.819 1.19 . . . . 0.0 112.032 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.8 mtm -57.87 -43.83 86.26 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.578 0.626 . . . . 0.0 111.983 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.1 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.61 -41.21 98.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.424 1.011 . . . . 0.0 111.947 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.44 -34.75 74.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.037 0.935 . . . . 0.0 112.603 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.08 -47.82 48.62 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.75 0.82 . . . . 0.0 110.565 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.11 -42.14 98.93 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.718 1.207 . . . . 0.0 112.387 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.88 -25.81 65.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.69 -38.23 47.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.356 1.062 . . . . 0.0 112.499 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -68.73 -32.56 72.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.535 0.734 . . . . 0.0 112.72 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -81.48 -34.81 31.12 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.06 -28.71 62.48 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.108 1.322 . . . . 0.0 112.724 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.25 -13.12 61.8 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -105.74 0.31 26.1 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.505 1.122 . . . . 0.0 113.948 174.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -71.01 151.56 44.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.193 -0.942 . . . . 0.0 112.117 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.264 -1.298 . . . . 0.0 113.338 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 CA-C-O 119.215 -0.77 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -68.92 163.3 38.05 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.931 3.087 . . . . 0.0 112.735 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.98 148.53 50.84 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.204 0.907 . . . . 0.0 113.145 175.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.8 t -157.25 156.6 32.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.999 1.32 . . . . 0.0 111.827 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -67.03 -18.74 65.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.258 1.023 . . . . 0.0 113.355 168.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.3 159.97 0.12 Allowed Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 128.658 2.783 . . . . 0.0 115.291 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -64.63 161.38 35.75 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.525 2.817 . . . . 0.0 114.116 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -96.69 -24.1 16.13 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.929 1.292 . . . . 0.0 111.769 163.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.69 36.2 0.54 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.215 2.206 . . . . 0.0 112.674 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -65.44 157.44 29.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.49 1.116 . . . . 0.0 113.592 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.2 -32.5 73.91 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.506 173.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.39 -43.82 93.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.336 1.054 . . . . 0.0 111.445 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.1 t -64.25 -35.76 81.87 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.714 0.806 . . . . 0.0 112.203 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.1 -50.75 60.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.247 -0.908 . . . . 0.0 112.215 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.74 -29.87 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.038 1.335 . . . . 0.0 113.299 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -27.99 67.91 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.223 -0.923 . . . . 0.0 113.405 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 -39.61 4.96 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.018 1.294 . . . . 0.0 115.963 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.52 162.07 28.63 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.619 1.21 . . . . 0.0 114.123 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.04 171.32 8.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.393 1.077 . . . . 0.0 113.415 -173.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.55 -29.01 69.74 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.099 -1.001 . . . . 0.0 113.543 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.08 -33.23 75.05 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.407 -0.808 . . . . 0.0 112.457 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.83 -30.16 61.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.938 0.895 . . . . 0.0 111.996 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.84 -48.69 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.555 0.742 . . . . 0.0 111.111 168.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.68 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.74 0.816 . . . . 0.0 112.733 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.16 64.43 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.23 -25.49 5.25 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -76.52 -36.04 57.95 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.267 0.939 . . . . 0.0 112.36 171.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.69 -126.8 42.57 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.083 1.325 . . . . 0.0 113.324 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.74 40.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.64 -5.5 57.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.98 145.84 49.12 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.005 0.922 . . . . 0.0 111.319 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.71 139.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 121.525 -0.734 . . . . 0.0 112.5 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -92.84 1.05 57.49 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.684 1.194 . . . . 0.0 113.736 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -72.44 145.52 47.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.407 1.083 . . . . 0.0 112.448 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.46 157.39 32.97 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.494 1.045 . . . . 0.0 113.883 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.25 -169.27 43.83 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.581 1.086 . . . . 0.0 114.845 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.16 165.99 29.32 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.058 1.313 . . . . 0.0 113.296 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -158.09 149.41 21.21 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.223 1.409 . . . . 0.0 112.236 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.85 138.98 2.88 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.968 1.271 . . . . 0.0 112.408 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.03 163.16 13.92 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 124.921 1.248 . . . . 0.0 113.858 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.9 -4.26 61.89 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.51 1.052 . . . . 0.0 115.582 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -147.51 160.94 42.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.146 1.778 . . . . 0.0 111.046 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -173.16 175.68 46.0 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.24 1.4 . . . . 0.0 113.081 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.97 -133.92 29.37 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.069 0.842 . . . . 0.0 112.878 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.15 148.08 17.6 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.542 1.067 . . . . 0.0 113.115 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -77.72 -10.86 59.76 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -172.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.79 6.49 6.01 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.733 1.613 . . . . 0.0 115.0 -174.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -65.32 144.59 57.02 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.899 1.28 . . . . 0.0 112.186 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -90.45 145.51 32.63 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 124.551 1.14 . . . . 0.0 112.343 -172.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -73.11 163.73 37.37 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.761 2.974 . . . . 0.0 112.944 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -152.76 145.48 24.31 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.389 1.476 . . . . 0.0 111.017 171.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.8 p -87.63 -19.54 27.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 113.661 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.3 m -79.65 -37.36 36.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -124.15 167.04 14.79 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.722 1.609 . . . . 0.0 113.296 -170.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.32 -43.29 0.11 Allowed Glycine 0 N--CA 1.474 1.212 0 O-C-N 121.458 -0.776 . . . . 0.0 114.423 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -62.69 -26.63 68.76 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.243 1.017 . . . . 0.0 113.362 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.16 -50.76 7.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.718 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -66.37 -44.88 81.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.992 0.917 . . . . 0.0 113.308 -172.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.08 -46.61 80.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.197 0.599 . . . . 0.0 111.176 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.14 -48.98 71.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.055 . . . . 0.0 112.744 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.31 -35.86 81.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.392 -0.817 . . . . 0.0 112.16 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -68.28 -40.61 81.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.714 0.805 . . . . 0.0 112.286 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.62 -46.78 88.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.154 0.982 . . . . 0.0 111.982 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -28.05 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.578 -0.701 . . . . 0.0 112.554 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -68.77 -37.15 79.14 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.816 0.846 . . . . 0.0 113.0 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -61.56 -51.48 68.38 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.516 -1.365 . . . . 0.0 113.091 170.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.0 150.8 48.01 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -164.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.2 t -66.4 160.12 25.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.064 1.745 . . . . 0.0 112.259 173.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -56.85 -35.19 68.57 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.057 -1.027 . . . . 0.0 112.551 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -66.62 -41.47 88.29 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.235 1.014 . . . . 0.0 111.989 174.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -69.51 -39.5 77.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.71 1.204 . . . . 0.0 111.836 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.33 -42.51 91.66 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.611 1.564 . . . . 0.0 112.476 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.8 mtm -61.37 -44.94 96.31 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 169.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.65 62.18 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -173.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.75 -36.24 82.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.066 -1.021 . . . . 0.0 112.18 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -41.27 76.98 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.075 0.95 . . . . 0.0 111.8 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -47.11 87.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.587 1.155 . . . . 0.0 110.733 172.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -59.48 -53.6 56.21 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.386 1.075 . . . . 0.0 113.822 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.18 -28.58 69.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.948 0.795 . . . . 0.0 113.128 -175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -76.53 -35.42 58.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.124 1.37 . . . . 0.0 112.353 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.85 -39.09 61.78 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.807 0.843 . . . . 0.0 112.442 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -75.25 -28.37 59.82 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.74 -25.38 59.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.56 1.073 . . . . 0.0 113.76 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.35 -12.47 43.29 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -96.2 -19.81 19.06 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -90.69 160.23 15.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.447 1.099 . . . . 0.0 112.403 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 C-N-CA 125.63 1.585 . . . . 0.0 114.212 -179.313 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.27 164.23 34.84 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.33 3.354 . . . . 0.0 112.948 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.51 -21.71 74.63 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.032 0.825 . . . . 0.0 114.98 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 92.5 p -153.59 153.04 31.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.043 1.737 . . . . 0.0 111.304 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.69 -41.45 60.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.045 0.938 . . . . 0.0 113.112 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.29 148.47 0.08 OUTLIER Pre-proline 0 CA--C 1.56 1.345 0 C-N-CA 128.596 2.758 . . . . 0.0 116.303 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -74.77 165.9 30.48 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.675 2.917 . . . . 0.0 112.54 172.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.6 pp -146.1 -26.88 0.43 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.6 -3.76 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.597 1.159 . . . . 0.0 113.578 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 16.2 p -68.21 115.93 8.24 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.677 . . . . 0.0 112.345 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -33.71 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.099 0.96 . . . . 0.0 112.987 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.548 1.067 . . . . 0.0 111.462 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 25.9 m -66.4 -31.9 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.76 0.824 . . . . 0.0 112.409 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.02 -47.07 69.45 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.497 0.719 . . . . 0.0 112.533 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.46 -31.34 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.23 1.412 . . . . 0.0 112.614 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -75.01 -23.41 58.23 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.76 -19.67 59.35 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.539 1.066 . . . . 0.0 115.389 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.18 178.21 4.67 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.418 1.887 . . . . 0.0 113.577 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 175.95 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.028 1.331 . . . . 0.0 113.559 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.38 -30.43 68.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.84 1.256 . . . . 0.0 114.002 -173.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.26 -33.07 74.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.878 0.871 . . . . 0.0 112.596 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -78.95 -29.97 44.28 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.541 1.137 . . . . 0.0 112.143 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.0 -46.44 74.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.43 0.692 . . . . 0.0 110.956 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.81 -29.71 68.42 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.36 63.77 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.25 -26.49 6.3 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.36 -32.53 64.56 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 111.755 168.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.83 -139.13 40.48 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.747 1.165 . . . . 0.0 112.421 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.13 58.99 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 175.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -84.97 2.31 43.55 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.229 . . . . 0.0 113.389 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.82 146.83 24.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.568 1.147 . . . . 0.0 112.04 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.1 tp -64.47 154.88 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -167.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -119.94 28.1 8.29 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.027 1.731 . . . . 0.0 113.282 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -143.24 169.67 17.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.499 1.52 . . . . 0.0 112.008 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -153.17 -178.43 27.75 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.72 1.152 . . . . 0.0 114.034 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.27 -177.21 52.8 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.292 0.949 . . . . 0.0 114.073 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.85 6.71 68.09 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.404 1.002 . . . . 0.0 115.53 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 80.0 p -73.13 154.21 40.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.48 1.512 . . . . 0.0 112.646 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 167.27 -172.66 42.32 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.722 1.153 . . . . 0.0 113.083 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.21 158.78 50.48 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.873 0.749 . . . . 0.0 113.452 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -68.58 156.21 53.28 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 122.041 -0.682 . . . . 0.0 113.632 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 49.2 m -72.11 179.82 3.13 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.007 1.323 . . . . 0.0 112.731 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 78.66 25.02 61.36 Favored Glycine 0 N--CA 1.473 1.15 0 O-C-N 121.301 -0.874 . . . . 0.0 114.904 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -64.47 158.69 42.77 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.588 1.089 . . . . 0.0 114.038 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 124.25 -4.86 8.88 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.393 1.473 . . . . 0.0 115.177 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 24.5 m 60.14 18.99 8.29 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.359 1.863 . . . . 0.0 115.864 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.68 157.06 38.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.908 1.283 . . . . 0.0 112.102 171.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.98 151.47 44.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.822 0.849 . . . . 0.0 112.952 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -70.56 155.93 92.68 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.422 1.489 . . . . 0.0 111.769 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -61.41 138.83 78.95 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.802 2.335 . . . . 0.0 111.725 171.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 54.3 p -80.53 157.64 26.04 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.75 1.22 . . . . 0.0 113.124 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 19.6 m -61.52 154.86 23.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.275 1.43 . . . . 0.0 112.34 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 34.2 m -66.6 163.14 19.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 129.73 3.212 . . . . 0.0 114.077 1.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 58.17 -154.2 0.36 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.514 1.526 . . . . 0.0 112.8 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 94.86 -5.0 68.91 Favored Glycine 0 N--CA 1.476 1.349 0 C-N-CA 125.307 1.432 . . . . 0.0 114.249 -171.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -59.8 -37.52 79.36 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.956 1.378 . . . . 0.0 111.681 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.64 -42.73 95.25 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.247 1.419 . . . . 0.0 112.319 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.65 -48.08 73.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.155 0.982 . . . . 0.0 111.745 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -72.83 -31.36 64.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -68.18 -48.9 64.04 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.73 0.812 . . . . 0.0 111.669 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.11 -35.68 75.77 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.568 -0.708 . . . . 0.0 112.163 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 14.2 t -57.13 -39.55 75.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.195 1.398 . . . . 0.0 112.618 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -64.46 -52.0 60.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.674 1.124 . . . . 0.0 111.38 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.56 -27.34 68.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.944 0.898 . . . . 0.0 113.283 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.7 p -67.31 -22.74 65.61 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -87.78 -34.16 18.39 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.239 1.416 . . . . 0.0 113.552 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.6 157.19 32.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.185 1.394 . . . . 0.0 113.618 -171.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 33.8 t -75.06 163.17 27.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.618 1.567 . . . . 0.0 112.211 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.88 -37.26 81.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.806 -1.184 . . . . 0.0 113.014 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -63.65 -41.24 98.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.188 0.995 . . . . 0.0 112.745 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.29 -39.68 82.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.018 0.927 . . . . 0.0 111.927 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.45 -41.87 97.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.011 1.324 . . . . 0.0 112.291 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 43.7 mtm -60.48 -50.04 75.14 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.698 0.681 . . . . 0.0 111.403 169.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.18 81.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -173.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -40.04 95.4 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 111.48 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.79 90.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.489 1.116 . . . . 0.0 112.138 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -46.13 89.3 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.077 0.951 . . . . 0.0 110.779 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.45 -51.98 67.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.463 0.705 . . . . 0.0 112.522 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.06 -27.43 66.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.36 -44.65 64.61 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.063 0.945 . . . . 0.0 112.203 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.86 -37.1 86.49 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.838 0.855 . . . . 0.0 112.449 -175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -82.27 -28.62 31.7 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.12 -31.52 55.83 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.549 1.522 . . . . 0.0 113.212 -176.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.58 -15.31 61.75 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -100.52 6.09 44.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.021 1.328 . . . . 0.0 114.329 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.67 -3.97 31.45 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.209 0 C-N-CA 127.544 2.497 . . . . 0.0 112.204 -178.382 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 CA-C-O 119.265 -0.742 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.18 159.23 27.14 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.949 3.099 . . . . 0.0 114.071 175.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.44 -146.32 50.34 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.584 0.612 . . . . 0.0 113.174 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -70.0 -5.31 25.54 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -173.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -72.64 -24.11 61.01 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.373 1.069 . . . . 0.0 112.442 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.77 163.4 0.1 Allowed Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 128.518 2.727 . . . . 0.0 116.857 172.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -64.8 156.2 63.15 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.425 2.75 . . . . 0.0 113.143 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.59 -21.27 24.13 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -95.68 -1.82 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.654 1.354 . . . . 0.0 114.654 -166.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -68.59 151.74 46.33 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.025 1.33 . . . . 0.0 113.495 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -67.86 -29.35 68.45 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.562 1.545 . . . . 0.0 112.916 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -42.12 99.59 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 112.858 -168.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -67.46 -28.96 68.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.98 -48.3 37.79 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.146 -0.971 . . . . 0.0 111.395 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.82 -33.16 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.031 1.332 . . . . 0.0 113.101 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -76.37 -23.33 54.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.917 0.887 . . . . 0.0 113.203 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.01 -32.65 12.14 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.881 1.229 . . . . 0.0 115.02 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.55 178.42 3.52 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.71 1.604 . . . . 0.0 113.667 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.22 172.9 9.16 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.89 1.276 . . . . 0.0 112.785 175.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -27.24 66.02 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.9 -33.86 76.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.836 0.855 . . . . 0.0 112.394 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.37 -35.56 61.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 112.031 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.52 -44.95 81.09 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.27 1.028 . . . . 0.0 111.413 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.0 69.56 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.94 -17.26 61.5 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.85 -28.67 5.88 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.56 -39.4 37.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.277 0.944 . . . . 0.0 111.899 170.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.07 -115.83 4.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.154 1.359 . . . . 0.0 113.482 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -54.3 -27.21 33.89 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.4 1.88 . . . . 0.0 113.926 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -104.16 16.43 26.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.862 1.265 . . . . 0.0 113.883 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.72 133.17 49.63 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.55 -1.344 . . . . 0.0 111.176 171.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -67.88 150.82 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 125.062 1.345 . . . . 0.0 112.974 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -91.99 -3.2 56.17 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -75.14 160.63 30.22 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.49 1.516 . . . . 0.0 113.376 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.09 -178.53 48.33 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.011 1.291 . . . . 0.0 113.365 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.46 80.01 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.589 1.09 . . . . 0.0 115.749 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.66 2.64 53.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.343 1.449 . . . . 0.0 116.42 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -63.03 147.57 50.3 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.417 1.487 . . . . 0.0 114.129 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.09 -160.96 50.29 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.531 1.062 . . . . 0.0 114.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.6 20.7 77.42 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.921 1.248 . . . . 0.0 115.397 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 151.3 51.58 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.622 1.106 . . . . 0.0 114.484 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -79.37 -2.4 41.49 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.828 1.651 . . . . 0.0 114.946 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.69 -155.3 29.1 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.754 1.168 . . . . 0.0 113.767 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.18 -160.55 52.56 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.462 1.03 . . . . 0.0 113.136 -172.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.69 173.8 46.56 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.352 0.977 . . . . 0.0 114.01 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.9 m -77.34 49.51 0.71 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.333 1.853 . . . . 0.0 113.338 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 91.2 mtp -73.66 -14.77 61.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.353 1.461 . . . . 0.0 113.903 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -135.28 163.2 30.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.094 1.758 . . . . 0.0 111.443 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -147.67 160.1 39.35 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 125.784 1.634 . . . . 0.0 112.548 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.29 162.11 18.12 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.55 2.834 . . . . 0.0 113.45 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -76.09 171.87 13.75 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.062 0.945 . . . . 0.0 113.171 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -71.78 -8.84 56.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.794 1.238 . . . . 0.0 114.334 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 t -116.51 -46.64 2.76 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.227 1.411 . . . . 0.0 113.228 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -121.18 140.86 51.44 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.122 1.769 . . . . 0.0 111.969 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.69 -7.22 0.04 OUTLIER Glycine 0 CA--C 1.533 1.213 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -55.3 -42.83 74.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.92 1.86 . . . . 0.0 113.278 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -27.59 60.79 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -77.35 -52.19 9.58 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.402 1.081 . . . . 0.0 110.878 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.15 -24.71 66.71 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.736 1.214 . . . . 0.0 113.521 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -81.34 -59.38 2.66 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.275 -0.891 . . . . 0.0 111.948 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.76 -36.54 81.32 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.7 p -66.49 -21.04 66.18 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -84.79 -51.28 6.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.615 0.766 . . . . 0.0 110.547 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.08 -32.03 65.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.822 1.249 . . . . 0.0 113.349 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -67.98 -29.85 68.98 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -92.13 -16.74 25.9 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 150.07 48.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.039 0.836 . . . . 0.0 111.781 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -66.63 153.4 43.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.229 1.412 . . . . 0.0 111.24 174.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.51 -35.2 60.38 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 0.0 111.825 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -66.73 -48.86 67.84 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.49 0.716 . . . . 0.0 112.518 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.81 -42.09 99.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.367 1.067 . . . . 0.0 112.417 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.06 -35.07 79.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.911 1.684 . . . . 0.0 112.297 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.7 mtm -71.36 -40.3 70.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 167.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.15 86.22 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 -39.12 93.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.686 1.13 . . . . 0.0 111.959 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.84 86.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.946 1.298 . . . . 0.0 112.232 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.72 -47.65 77.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.195 0.998 . . . . 0.0 111.272 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -59.12 -50.02 75.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 0.0 112.454 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.69 -30.19 70.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.265 0.939 . . . . 0.0 112.986 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.67 -36.5 60.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.478 1.111 . . . . 0.0 112.88 172.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -67.9 -41.25 82.99 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.541 0.736 . . . . 0.0 111.838 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -80.01 -20.12 46.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -83.2 -31.6 26.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.042 1.292 . . . . 0.0 113.256 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.23 -18.97 54.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -3.23 58.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.258 1.023 . . . . 0.0 113.591 177.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -65.0 153.71 39.87 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.061 1.344 . . . . 0.0 112.678 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 C-N-CA 125.026 1.298 . . . . 0.0 113.285 179.411 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.18 -22.49 25.72 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.74 2.96 . . . . 0.0 113.876 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.85 162.71 29.27 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.321 1.439 . . . . 0.0 112.728 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 142.42 46.96 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -80.29 -13.75 58.94 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.498 1.519 . . . . 0.0 113.492 173.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.2 142.37 0.06 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 129.298 3.039 . . . . 0.0 114.881 -169.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.84 165.93 29.12 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.427 2.752 . . . . 0.0 112.947 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 pp -136.64 -9.37 1.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.826 1.65 . . . . 0.0 113.669 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -121.42 20.58 11.19 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.919 2.088 . . . . 0.0 112.795 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 41.3 p -55.27 136.28 49.07 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.199 1.4 . . . . 0.0 113.295 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -62.21 -24.39 67.2 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.993 1.317 . . . . 0.0 114.509 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.5 -37.64 70.67 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.271 -0.893 . . . . 0.0 112.561 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -62.63 -39.22 93.14 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.609 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -71.78 -43.48 65.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.549 0.74 . . . . 0.0 112.149 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.7 -31.56 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.963 0.905 . . . . 0.0 112.449 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.54 -33.07 68.83 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.039 -1.038 . . . . 0.0 113.24 169.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.61 -26.42 32.65 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.63 179.83 3.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.463 1.505 . . . . 0.0 113.877 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 169.25 12.76 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.464 1.506 . . . . 0.0 112.377 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -60.48 -24.34 65.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -64.29 -32.76 74.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.181 0.992 . . . . 0.0 112.715 171.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -73.32 -36.34 66.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.838 1.255 . . . . 0.0 112.008 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.88 -47.45 71.82 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.842 0.857 . . . . 0.0 110.588 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.33 70.08 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.49 -17.65 64.22 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.17 -25.72 5.66 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.51 -36.64 57.63 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.715 1.206 . . . . 0.0 111.959 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.84 -126.36 42.38 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.592 1.091 . . . . 0.0 113.695 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -56.45 -30.6 63.08 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.364 1.466 . . . . 0.0 113.596 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.52 5.81 40.84 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.134 1.374 . . . . 0.0 114.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.86 133.09 55.76 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.042 -1.036 . . . . 0.0 111.283 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp -65.77 144.83 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.922 . . . . 0.0 112.38 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -83.16 -9.49 59.15 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -83.73 2.77 36.26 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.707 1.603 . . . . 0.0 113.839 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.43 162.43 40.78 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.651 1.12 . . . . 0.0 115.027 -175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.8 -2.55 80.11 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.376 1.465 . . . . 0.0 115.336 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -71.74 161.75 54.28 Favored Glycine 0 CA--C 1.539 1.579 0 CA-C-N 118.561 1.181 . . . . 0.0 113.173 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 38.5 t -155.76 147.44 23.01 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.629 1.172 . . . . 0.0 112.428 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -83.83 -2.06 89.77 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.76 1.171 . . . . 0.0 114.933 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.02 -141.0 23.74 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 118.561 1.181 . . . . 0.0 112.81 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.63 152.48 47.89 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.749 1.166 . . . . 0.0 113.922 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.7 p -71.71 157.11 38.52 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.168 1.387 . . . . 0.0 113.758 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.94 -179.66 40.01 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 125.126 1.346 . . . . 0.0 113.797 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.98 152.21 19.19 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.639 1.59 . . . . 0.0 115.019 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.15 -13.96 66.29 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.314 1.911 . . . . 0.0 115.486 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 21.3 t 61.49 161.17 0.06 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.294 2.238 . . . . 0.0 115.6 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 95.8 mtp -77.99 -19.83 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.972 1.309 . . . . 0.0 112.607 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -72.05 153.26 41.85 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.572 1.149 . . . . 0.0 112.421 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.7 144.16 98.8 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 124.653 1.181 . . . . 0.0 111.596 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -55.03 162.27 5.54 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 124.44 3.427 . . . . 0.0 114.702 168.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.8 p -71.41 -25.72 62.46 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.398 1.079 . . . . 0.0 112.887 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 63.6 m -73.06 150.3 42.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.715 1.206 . . . . 0.0 112.791 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 31.4 t -70.01 -43.8 70.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.185 0.594 . . . . 0.0 111.545 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.84 130.84 36.02 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 111.792 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -101.09 -15.74 27.45 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 115.629 1.012 . . . . 0.0 115.629 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -59.18 -44.57 92.18 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.75 1.275 . . . . 0.0 112.924 -167.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -33.27 72.65 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.957 0.903 . . . . 0.0 113.187 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 -48.28 43.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.047 0.939 . . . . 0.0 110.796 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.22 -31.12 71.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.173 0.989 . . . . 0.0 112.417 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -76.37 -58.19 3.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.507 0.723 . . . . 0.0 111.999 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.97 -35.92 81.05 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -173.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 29.5 t -66.04 -42.84 89.04 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.413 -0.805 . . . . 0.0 111.588 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -63.49 -44.34 94.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.641 0.655 . . . . 0.0 111.829 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.77 -33.56 71.85 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.918 0.781 . . . . 0.0 112.347 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 40.6 t -66.42 -42.92 87.03 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.236 -0.915 . . . . 0.0 112.487 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -67.66 -39.58 84.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.859 1.263 . . . . 0.0 113.525 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.65 152.03 45.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.829 1.651 . . . . 0.0 112.969 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.2 t -67.61 155.74 38.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.337 1.455 . . . . 0.0 113.357 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -52.66 -36.33 56.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.97 1.308 . . . . 0.0 111.711 166.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -66.33 -43.43 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.91 -39.1 87.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.593 0.757 . . . . 0.0 112.165 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.13 -40.58 96.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.869 0.759 . . . . 0.0 112.439 175.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.36 -39.74 91.72 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.585 0.629 . . . . 0.0 112.089 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.88 61.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.28 -37.79 88.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.517 1.053 . . . . 0.0 111.235 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.34 88.29 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.79 0.836 . . . . 0.0 112.261 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.86 -45.87 91.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.055 0.942 . . . . 0.0 111.417 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.2 -45.92 89.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.861 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.77 -24.28 65.31 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.581 1.082 . . . . 0.0 113.431 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -76.22 -40.03 53.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.493 1.117 . . . . 0.0 112.635 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.89 -37.08 86.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.244 1.018 . . . . 0.0 111.842 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.47 -12.69 48.26 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.13 -33.45 15.44 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.578 1.535 . . . . 0.0 112.834 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.58 -17.91 64.81 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -174.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.64 -14.8 47.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.734 1.214 . . . . 0.0 113.949 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -78.97 147.38 32.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.073 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 C-N-CA 125.233 1.397 . . . . 0.0 114.046 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 CA-C-O 119.509 -0.606 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.18 155.07 68.95 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.949 3.099 . . . . 0.0 113.21 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.03 -155.85 41.95 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.459 1.028 . . . . 0.0 114.247 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.4 p -69.85 142.47 53.07 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.567 0.747 . . . . 0.0 110.992 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.76 -33.0 68.27 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -165.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.08 165.2 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 127.378 2.271 . . . . 0.0 115.112 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.24 139.61 87.93 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.419 2.746 . . . . 0.0 112.5 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.23 -11.62 15.21 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -170.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -135.32 11.61 3.52 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -172.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -65.52 -35.99 82.5 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.006 -1.059 . . . . 0.0 113.272 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.84 -40.42 65.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.34 0.656 . . . . 0.0 111.36 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -46.12 90.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.277 1.031 . . . . 0.0 110.755 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -59.54 -39.67 84.74 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.567 1.147 . . . . 0.0 112.609 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.15 -50.61 60.62 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.385 -0.822 . . . . 0.0 111.985 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.82 -29.76 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.508 1.123 . . . . 0.0 112.611 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -79.08 -21.11 47.22 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.88 1.272 . . . . 0.0 113.955 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.25 -33.08 9.0 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.513 1.054 . . . . 0.0 114.434 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.49 172.62 10.17 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.383 1.473 . . . . 0.0 114.076 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.69 173.19 6.54 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.825 1.25 . . . . 0.0 113.241 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.83 -27.02 67.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.084 -1.01 . . . . 0.0 113.515 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.49 -30.42 69.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.189 0.996 . . . . 0.0 112.317 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -78.3 -35.71 47.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.453 1.101 . . . . 0.0 111.703 174.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.69 -48.73 80.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.216 0.606 . . . . 0.0 110.716 169.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.05 70.61 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.87 77.33 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -30.1 13.42 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.19 -34.89 59.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.385 1.074 . . . . 0.0 112.208 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.85 -135.72 43.86 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.888 1.232 . . . . 0.0 112.479 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -67.91 -7.08 25.38 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -92.32 1.42 57.24 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.495 1.518 . . . . 0.0 113.942 172.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 149.91 30.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 112.793 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tp -57.57 143.94 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.959 0.903 . . . . 0.0 112.932 -172.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -93.08 -4.57 52.15 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -78.43 157.71 28.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.051 1.341 . . . . 0.0 113.05 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.22 -8.83 75.73 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.201 0.905 . . . . 0.0 114.863 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.52 152.33 20.15 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.27 1.415 . . . . 0.0 112.565 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.68 179.27 50.21 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.491 1.043 . . . . 0.0 114.896 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 t -61.27 149.27 38.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 113.001 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.2 160.4 39.33 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.13 0.871 . . . . 0.0 113.99 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -157.8 17.02 Favored Glycine 0 CA--C 1.536 1.396 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.82 149.88 26.12 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.787 1.66 . . . . 0.0 112.978 -175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -121.85 4.71 9.96 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -162.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.34 -117.26 10.03 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 119.121 0.873 . . . . 0.0 113.553 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.55 -9.38 58.4 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.915 1.245 . . . . 0.0 115.921 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.07 -126.77 39.28 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 119.02 1.41 . . . . 0.0 114.047 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -61.19 -8.97 4.08 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.401 1.88 . . . . 0.0 115.775 -173.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.8 ttm -65.49 -27.5 68.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.36 1.064 . . . . 0.0 112.521 170.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -75.93 158.27 32.2 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 112.551 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -145.85 151.75 46.49 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 126.082 1.753 . . . . 0.0 111.802 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.07 155.41 69.66 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.592 2.195 . . . . 0.0 112.351 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.1 p -123.07 -10.25 8.16 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.961 1.304 . . . . 0.0 114.169 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -74.79 165.53 25.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.605 1.162 . . . . 0.0 113.342 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 m -64.41 138.46 58.43 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.718 -0.614 . . . . 0.0 110.701 166.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.24 -19.47 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 127.434 2.294 . . . . 0.0 116.416 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.0 -30.27 2.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 126.945 2.212 . . . . 0.0 116.121 163.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -59.06 -42.69 90.94 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.407 1.104 . . . . 0.0 112.877 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.71 -27.21 66.62 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.92 -51.59 7.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.528 1.131 . . . . 0.0 110.981 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.48 -48.38 81.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.229 1.011 . . . . 0.0 112.825 -176.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.6 -47.46 75.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.694 0.798 . . . . 0.0 112.152 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.56 -41.33 98.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.339 -0.851 . . . . 0.0 112.063 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.2 t -60.9 -39.4 89.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.018 0.927 . . . . 0.0 112.95 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -67.54 -47.65 69.26 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.792 0.837 . . . . 0.0 112.014 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.77 -31.7 71.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.217 1.007 . . . . 0.0 113.173 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.4 p -66.05 -27.1 67.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.742 1.155 . . . . 0.0 112.453 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -91.63 -6.88 51.48 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.525 1.93 . . . . 0.0 114.422 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.84 156.53 17.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.616 1.166 . . . . 0.0 112.384 168.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -77.9 161.37 27.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.544 1.138 . . . . 0.0 110.948 176.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -56.61 -43.89 80.61 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.059 -1.026 . . . . 0.0 112.624 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -60.53 -40.15 90.46 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 118.4 0.545 . . . . 0.0 112.321 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.86 -42.39 77.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.14 0.976 . . . . 0.0 112.491 172.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.5 -36.42 83.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.945 1.698 . . . . 0.0 112.586 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.6 mtm -69.73 -40.63 76.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.219 0.607 . . . . 0.0 112.129 168.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.21 78.8 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.56 -35.64 81.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.191 -0.943 . . . . 0.0 111.808 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.32 84.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.846 0.858 . . . . 0.0 112.001 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.38 -44.75 78.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.552 1.141 . . . . 0.0 111.059 172.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -56.87 -51.7 68.04 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.973 0.909 . . . . 0.0 112.564 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.4 -24.8 64.81 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -76.77 -33.45 58.07 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.572 1.149 . . . . 0.0 112.84 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.67 -40.33 69.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.13 0.972 . . . . 0.0 112.466 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -76.67 -30.56 56.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.97 -32.57 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.04 1.291 . . . . 0.0 112.56 -175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.74 -13.92 59.55 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -96.25 -7.84 34.47 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -75.23 152.16 38.35 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.828 0.851 . . . . 0.0 112.474 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 C-N-CA 125.519 1.533 . . . . 0.0 114.146 -179.485 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.222 0 CA-C-O 118.194 -1.337 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.83 -29.23 76.41 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.784 2.989 . . . . 0.0 115.376 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.28 3.09 60.59 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.46 1.029 . . . . 0.0 115.251 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.2 p -77.46 171.33 15.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.62 1.568 . . . . 0.0 113.235 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -71.87 -15.48 62.12 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.105 1.362 . . . . 0.0 114.287 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.1 98.31 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.192 1.397 . . . . 0.0 114.298 -171.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -73.53 170.99 18.64 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 124.166 3.244 . . . . 0.0 113.416 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 pp -138.37 -6.51 1.56 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -141.49 8.51 1.99 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.56 1.544 . . . . 0.0 114.83 -175.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -73.67 -5.94 43.68 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.892 1.277 . . . . 0.0 114.283 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -57.47 -35.83 70.67 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.093 1.357 . . . . 0.0 112.808 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -43.36 99.02 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.434 -0.791 . . . . 0.0 111.425 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.3 t -66.54 -34.91 78.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.121 0.969 . . . . 0.0 112.223 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.17 -47.17 77.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.538 -0.726 . . . . 0.0 111.8 175.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.23 -32.14 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.779 1.232 . . . . 0.0 112.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.56 -26.97 62.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.274 -0.891 . . . . 0.0 113.167 171.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.38 -41.02 12.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.674 1.131 . . . . 0.0 114.574 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.52 170.14 16.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.328 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 178.43 4.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.434 1.094 . . . . 0.0 113.456 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -59.87 -28.44 67.53 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.39 -35.83 81.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.911 0.885 . . . . 0.0 112.266 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.9 -38.24 57.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.971 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.79 -45.72 91.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.309 0.643 . . . . 0.0 111.155 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.43 75.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.081 0.855 . . . . 0.0 113.084 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.69 78.14 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.707 -0.621 . . . . 0.0 112.593 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.35 -30.05 16.77 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.31 -40.88 25.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.553 1.141 . . . . 0.0 111.727 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.32 -115.61 7.65 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.463 1.03 . . . . 0.0 112.805 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -50.76 -40.52 55.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.48 1.912 . . . . 0.0 113.704 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -92.26 8.59 37.53 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.573 1.149 . . . . 0.0 113.698 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.71 142.22 58.22 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.419 -0.8 . . . . 0.0 111.608 174.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.5 tp -63.52 150.4 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -96.57 22.85 7.49 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.104 1.362 . . . . 0.0 114.014 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -134.68 165.1 26.04 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.08 1.352 . . . . 0.0 112.83 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.97 29.73 1.1 Allowed Glycine 0 CA--C 1.54 1.626 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.06 61.43 3.47 Favored Glycine 0 CA--C 1.536 1.349 0 CA-C-N 119.394 1.597 . . . . 0.0 113.73 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.51 -160.8 9.1 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.489 1.519 . . . . 0.0 114.817 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 16.2 t 67.24 152.91 0.08 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.945 2.098 . . . . 0.0 114.866 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -124.13 -165.82 12.33 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 126.423 1.963 . . . . 0.0 113.415 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -176.34 179.14 47.55 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.872 1.225 . . . . 0.0 113.39 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -168.37 164.44 38.02 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.854 0.74 . . . . 0.0 114.236 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -72.18 -18.55 61.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -175.88 168.27 40.46 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.248 0.928 . . . . 0.0 113.48 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -106.05 -166.82 23.15 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.793 1.663 . . . . 0.0 114.328 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -80.42 -145.75 4.18 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.985 1.279 . . . . 0.0 113.271 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 32.9 t -60.89 134.24 56.89 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.415 -1.05 . . . . 0.0 111.637 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 59.6 ttm -156.52 152.32 27.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.564 1.546 . . . . 0.0 111.207 -172.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -60.76 145.21 50.48 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.716 0.806 . . . . 0.0 112.044 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -64.06 144.57 98.21 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.295 1.038 . . . . 0.0 113.525 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -63.52 168.73 10.94 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.393 2.729 . . . . 0.0 114.293 173.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 35.5 p -138.71 136.57 35.95 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.803 1.641 . . . . 0.0 110.678 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 63.6 p -72.76 137.3 45.77 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.459 -0.776 . . . . 0.0 111.354 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 16.2 t 60.71 -48.35 0.1 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.445 2.698 . . . . 0.0 115.397 -171.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.97 -3.61 20.34 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.594 1.958 . . . . 0.0 114.27 175.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -78.7 1.29 73.59 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 126.754 2.121 . . . . 0.0 115.235 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -50.49 -40.03 50.02 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.092 1.357 . . . . 0.0 112.141 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.6 65.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -76.55 -44.81 33.25 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.628 1.171 . . . . 0.0 110.528 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -66.56 -46.31 76.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 0.0 112.12 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -64.86 -48.38 74.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.612 1.165 . . . . 0.0 112.083 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.89 -29.49 70.44 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.364 -0.835 . . . . 0.0 112.586 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.5 t -67.47 -33.39 75.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.532 1.133 . . . . 0.0 113.395 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -68.61 -48.9 62.93 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.228 -1.545 . . . . 0.0 110.985 167.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.42 -40.06 71.0 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.563 1.145 . . . . 0.0 112.626 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.2 p -71.21 -32.17 68.49 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -76.27 -38.73 55.84 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.723 1.209 . . . . 0.0 113.376 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.72 146.25 51.67 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 0.0 112.36 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 22.7 t -73.58 165.2 25.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.808 1.243 . . . . 0.0 112.602 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -50.67 -39.19 50.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.993 1.717 . . . . 0.0 112.381 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.46 -45.04 77.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.671 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.67 -38.62 84.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.434 1.094 . . . . 0.0 112.099 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.08 -39.77 87.26 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.011 1.324 . . . . 0.0 112.5 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 73.0 mtm -67.21 -42.47 84.07 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.701 -0.625 . . . . 0.0 112.453 170.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.56 82.6 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.687 0.795 . . . . 0.0 112.816 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.29 -37.53 85.62 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.835 0.743 . . . . 0.0 111.562 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.89 95.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.218 1.007 . . . . 0.0 112.229 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.21 -47.43 79.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.27 -42.59 99.13 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.267 -0.896 . . . . 0.0 113.13 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.32 -26.83 65.82 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.309 0.959 . . . . 0.0 113.192 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.18 -35.46 66.4 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.175 0.898 . . . . 0.0 112.489 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -70.98 -35.93 72.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.234 1.014 . . . . 0.0 112.532 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -79.53 -36.17 38.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.21 -28.26 63.06 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.911 -1.118 . . . . 0.0 112.794 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.96 -10.01 59.18 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -113.78 5.48 16.36 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.801 1.241 . . . . 0.0 114.216 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.05 165.24 22.31 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.298 -0.876 . . . . 0.0 112.234 166.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 125.292 1.425 . . . . 0.0 112.494 177.403 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.905 -0.386 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -67.73 161.45 43.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.287 3.325 . . . . 0.0 112.718 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.89 -112.45 3.6 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.249 0.928 . . . . 0.0 112.933 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 t -146.51 158.75 43.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.802 1.641 . . . . 0.0 111.759 -175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -62.9 -26.02 68.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.258 1.023 . . . . 0.0 113.184 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.23 152.91 0.11 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 128.147 2.579 . . . . 0.0 115.446 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.71 147.51 75.82 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.691 2.261 . . . . 0.0 111.839 172.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.52 -16.18 3.47 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -92.22 -13.12 30.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.486 1.514 . . . . 0.0 113.64 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -72.62 143.53 48.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.362 1.065 . . . . 0.0 111.962 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -59.54 -39.44 83.98 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.033 1.333 . . . . 0.0 112.726 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.72 -46.69 86.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.756 -0.59 . . . . 0.0 111.297 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 t -65.34 -37.52 87.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.517 0.727 . . . . 0.0 112.404 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.71 -47.21 79.15 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.507 0.723 . . . . 0.0 112.184 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -68.47 -29.86 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.691 1.196 . . . . 0.0 112.886 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.2 -32.04 62.89 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 112.889 172.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.22 -26.34 44.45 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.772 1.177 . . . . 0.0 115.239 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.74 -174.39 2.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.877 1.271 . . . . 0.0 113.313 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.65 164.64 23.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.697 1.599 . . . . 0.0 112.586 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.6 -22.88 62.43 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.83 -35.72 80.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.151 0.98 . . . . 0.0 112.894 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.46 -36.68 63.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.424 1.09 . . . . 0.0 111.569 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.14 -46.06 82.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.441 0.696 . . . . 0.0 111.173 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.1 -33.38 73.28 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 112.899 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.5 87.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -28.51 18.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.9 -40.74 46.34 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.754 1.222 . . . . 0.0 111.928 172.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.84 -130.56 49.78 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.894 0.759 . . . . 0.0 112.476 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -15.37 57.67 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.1 0.78 39.09 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.83 144.37 44.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.176 -0.953 . . . . 0.0 112.802 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.49 145.38 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.166 0.986 . . . . 0.0 113.476 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -94.02 61.61 2.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.846 1.258 . . . . 0.0 110.159 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 62.99 160.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 116.567 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 169.73 45.96 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.767 1.651 . . . . 0.0 115.719 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.51 101.14 0.7 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.081 1.8 . . . . 0.0 114.204 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.38 162.16 20.03 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.065 1.317 . . . . 0.0 115.326 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -81.52 -28.99 33.74 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.527 1.131 . . . . 0.0 113.566 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.97 -169.11 51.63 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.54 1.067 . . . . 0.0 114.621 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.18 -148.07 38.73 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.333 0.968 . . . . 0.0 113.776 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.13 -166.39 11.24 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.982 1.277 . . . . 0.0 113.515 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t -146.02 176.19 9.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 111.601 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.25 -20.38 62.95 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 124.878 1.228 . . . . 0.0 115.648 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.16 53.33 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.154 1.359 . . . . 0.0 114.841 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.63 -160.2 53.49 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.304 0.955 . . . . 0.0 113.744 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.1 t -153.44 155.86 37.12 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.555 1.542 . . . . 0.0 111.254 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.92 121.7 17.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.095 0.958 . . . . 0.0 112.05 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -83.09 -17.16 44.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.251 1.02 . . . . 0.0 113.563 171.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -74.94 153.79 86.8 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.722 2.009 . . . . 0.0 112.685 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.81 165.78 29.89 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.809 2.34 . . . . 0.0 111.991 169.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -152.07 151.32 30.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.958 1.303 . . . . 0.0 111.564 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.5 m -83.17 -9.3 59.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.735 1.384 . . . . 0.0 114.735 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.2 p -154.04 165.39 36.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.061 1.344 . . . . 0.0 113.028 -175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -63.32 133.32 53.93 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.91 0.884 . . . . 0.0 112.228 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.96 -14.1 32.24 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 -59.34 -43.95 92.71 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.507 1.153 . . . . 0.0 113.24 -168.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -35.91 80.71 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -74.71 -44.47 49.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.499 0.72 . . . . 0.0 112.151 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.16 -48.26 79.19 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.626 -0.671 . . . . 0.0 111.643 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -65.65 -47.78 74.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.649 0.78 . . . . 0.0 112.115 -176.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.57 -37.37 86.48 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.132 -0.98 . . . . 0.0 112.143 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.0 t -63.53 -48.97 75.33 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.531 0.605 . . . . 0.0 112.257 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.6 -37.23 73.84 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.894 -1.129 . . . . 0.0 112.301 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.79 -18.72 65.52 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.967 1.258 . . . . 0.0 113.853 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -74.82 -43.23 55.72 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.742 1.61 . . . . 0.0 111.021 169.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -66.43 -46.55 76.12 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.464 1.506 . . . . 0.0 113.997 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.36 151.43 32.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 113.02 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.8 t -67.66 154.04 42.37 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.621 1.169 . . . . 0.0 111.97 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -56.53 -29.35 61.8 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.959 -1.088 . . . . 0.0 112.526 168.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -62.52 -44.85 95.35 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.476 -0.765 . . . . 0.0 112.348 170.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.15 -40.7 78.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.793 1.237 . . . . 0.0 112.081 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.9 -42.36 93.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.822 1.249 . . . . 0.0 112.166 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.57 -45.86 90.99 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.699 0.681 . . . . 0.0 112.227 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.08 76.66 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.27 -37.71 86.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.268 0.94 . . . . 0.0 111.83 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.23 90.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.684 0.793 . . . . 0.0 111.856 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -45.43 79.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.597 0.759 . . . . 0.0 110.731 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -61.08 -46.29 91.26 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.807 0.843 . . . . 0.0 113.023 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.36 -23.36 62.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -37.56 51.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.05 0.94 . . . . 0.0 112.617 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.7 -36.11 83.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.396 1.078 . . . . 0.0 112.719 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -80.79 -35.89 32.48 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.22 -25.47 63.41 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.719 -1.238 . . . . 0.0 113.139 -173.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.05 -7.65 58.97 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -121.84 -17.18 7.43 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -70.61 162.87 28.14 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.567 1.076 . . . . 0.0 112.46 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.828 176.605 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -66.25 -23.55 52.01 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.228 2.619 . . . . 0.0 113.532 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.96 4.25 81.0 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.664 1.602 . . . . 0.0 115.872 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 84.4 p -142.21 170.92 14.79 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.213 1.506 . . . . 0.0 113.016 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.95 -21.94 65.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.61 152.08 0.11 Allowed Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 128.273 2.629 . . . . 0.0 115.763 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.56 148.29 91.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.652 2.901 . . . . 0.0 113.981 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.7 -29.65 14.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.88 1.272 . . . . 0.0 112.042 161.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -86.55 42.59 1.02 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.46 1.904 . . . . 0.0 111.801 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 18.9 p -60.01 157.45 12.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.753 1.621 . . . . 0.0 113.515 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -58.84 -45.23 90.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.251 1.02 . . . . 0.0 111.039 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.69 -39.62 92.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.443 -0.786 . . . . 0.0 111.959 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -65.19 -46.23 81.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.965 0.506 . . . . 0.0 112.149 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -70.57 -45.37 65.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.78 -28.36 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.384 1.473 . . . . 0.0 112.548 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.0 -20.28 49.49 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.029 -1.044 . . . . 0.0 113.752 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.16 -32.66 9.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.034 1.302 . . . . 0.0 115.09 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.45 175.48 4.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.406 1.882 . . . . 0.0 113.562 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.7 168.12 10.31 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.198 1.399 . . . . 0.0 113.353 174.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.75 -24.86 64.39 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.532 -1.355 . . . . 0.0 114.176 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -66.93 -32.66 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.524 -0.735 . . . . 0.0 112.686 172.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -72.13 -38.49 69.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.664 1.186 . . . . 0.0 111.543 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.04 -47.64 82.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.413 0.685 . . . . 0.0 110.185 172.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.83 90.47 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.34 -30.27 20.93 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.22 -39.03 34.21 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.255 1.022 . . . . 0.0 112.491 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.79 33.69 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.604 0.621 . . . . 0.0 111.929 -174.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.46 -21.31 62.2 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -75.92 -7.27 54.16 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.66 137.71 58.15 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.082 -1.012 . . . . 0.0 111.727 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp -64.13 143.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.686 0.794 . . . . 0.0 112.599 -172.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -84.83 -10.02 57.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.02 -18.47 50.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.615 1.166 . . . . 0.0 113.889 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.15 151.27 2.76 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 125.277 1.418 . . . . 0.0 114.183 -171.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -86.22 -9.19 76.98 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.677 1.132 . . . . 0.0 115.209 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.97 -24.42 66.84 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 118.509 1.155 . . . . 0.0 115.743 -170.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 24.6 m -63.17 -19.92 64.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.646 1.178 . . . . 0.0 113.985 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -78.29 -11.88 84.88 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.831 1.205 . . . . 0.0 114.98 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.4 122.41 29.18 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 118.644 1.222 . . . . 0.0 112.95 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 72.02 3.98 57.75 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.817 1.199 . . . . 0.0 115.312 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 16.1 t -72.0 154.7 41.0 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.971 1.386 . . . . 0.0 113.041 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 72.23 41.42 53.35 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.18 0.895 . . . . 0.0 115.08 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.53 163.84 48.97 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 118.421 1.111 . . . . 0.0 114.593 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 78.73 -176.29 54.57 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.719 1.152 . . . . 0.0 114.465 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 98.6 p -156.6 170.94 21.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.519 1.528 . . . . 0.0 112.134 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 44.2 tpp -147.91 150.5 34.21 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.3 1.44 . . . . 0.0 111.66 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -68.27 163.35 23.09 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.854 1.262 . . . . 0.0 113.683 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.06 148.4 95.34 Favored Pre-proline 0 N--CA 1.486 1.34 0 C-N-CA 124.127 0.971 . . . . 0.0 112.209 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.28 171.38 6.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.011 3.141 . . . . 0.0 114.508 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.6 p -67.52 -13.79 62.36 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.626 1.17 . . . . 0.0 114.017 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 40.4 t -141.08 107.92 5.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.08 1.752 . . . . 0.0 109.601 168.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 73.7 m -83.54 86.39 7.11 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.256 1.022 . . . . 0.0 111.982 -172.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -66.3 -44.66 82.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.956 0.902 . . . . 0.0 110.962 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 91.96 -66.21 2.21 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 126.419 1.961 . . . . 0.0 113.643 163.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -61.35 -28.81 69.49 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.912 1.285 . . . . 0.0 113.684 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -81.8 -58.96 2.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.236 2.214 . . . . 0.0 111.404 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -71.76 -40.59 69.22 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -169.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.21 -42.01 93.93 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 111.741 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.77 -50.06 63.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.246 1.018 . . . . 0.0 111.953 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.19 -40.28 85.21 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.096 0.558 . . . . 0.0 111.955 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 47.2 t -61.25 -51.23 69.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.933 0.893 . . . . 0.0 112.264 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.12 -45.82 91.76 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.071 -1.018 . . . . 0.0 112.141 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -30.25 71.4 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 118.9 -0.572 . . . . 0.0 112.49 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.7 p -69.53 -26.38 64.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.723 1.147 . . . . 0.0 113.438 173.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -88.41 -33.12 18.0 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.321 1.448 . . . . 0.0 113.376 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.33 153.64 42.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.098 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.2 t -66.03 157.16 31.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.4 . . . . 0.0 113.303 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -53.83 -39.77 65.87 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.64 1.576 . . . . 0.0 112.148 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -70.04 -40.68 74.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.013 0.925 . . . . 0.0 112.292 176.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -66.3 -40.16 89.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.143 0.977 . . . . 0.0 112.524 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.11 -44.86 92.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.705 1.202 . . . . 0.0 112.234 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 56.8 mtm -61.74 -44.06 97.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.727 0.411 . . . . 0.0 111.708 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.84 -46.47 71.71 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.95 -39.35 93.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.388 0.994 . . . . 0.0 111.539 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.54 96.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.378 1.071 . . . . 0.0 112.214 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.45 -45.74 82.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.502 -0.749 . . . . 0.0 110.86 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.21 -45.27 94.08 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.349 -0.844 . . . . 0.0 113.264 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.85 -25.17 63.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.926 0.785 . . . . 0.0 112.788 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -75.01 -34.75 61.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.265 1.026 . . . . 0.0 112.157 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.69 -35.66 72.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.441 1.096 . . . . 0.0 112.683 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -80.61 -36.71 32.33 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.78 -24.13 65.29 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 112.99 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.5 -5.2 59.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -126.78 -12.06 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -68.51 161.83 26.97 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.782 1.174 . . . . 0.0 112.888 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 C-N-CA 125.445 1.498 . . . . 0.0 114.198 179.581 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -59.57 159.35 24.22 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 124.542 3.495 . . . . 0.0 114.705 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.24 -160.52 16.17 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.179 1.371 . . . . 0.0 113.648 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -138.44 150.27 46.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.461 1.504 . . . . 0.0 111.377 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -136.15 -9.04 2.02 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -158.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.72 143.16 94.2 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.032 1.333 . . . . 0.0 113.858 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.16 166.02 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.007 3.138 . . . . 0.0 113.536 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.99 -7.29 3.5 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.781 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -138.36 35.88 2.28 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.665 1.986 . . . . 0.0 111.74 -166.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.9 p -55.55 157.75 3.78 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.377 1.471 . . . . 0.0 114.378 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -59.95 -32.53 70.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.14 1.376 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.12 -45.28 91.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.86 1.264 . . . . 0.0 111.993 -174.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -73.71 -27.94 61.46 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.866 0.866 . . . . 0.0 113.082 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -70.76 -45.43 64.81 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.955 -1.09 . . . . 0.0 111.827 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.99 -24.53 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.62 1.568 . . . . 0.0 112.497 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -80.21 -21.12 43.25 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 169.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.54 -29.78 11.64 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.323 0.963 . . . . 0.0 115.321 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.43 173.2 7.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.011 1.725 . . . . 0.0 113.667 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.44 167.27 10.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.776 1.23 . . . . 0.0 113.166 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.72 -25.33 66.36 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.01 -32.35 73.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.747 0.819 . . . . 0.0 112.566 172.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -72.25 -35.74 68.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.393 1.077 . . . . 0.0 111.71 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.08 -50.29 64.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.702 0.801 . . . . 0.0 110.864 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -33.57 70.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.151 0.98 . . . . 0.0 113.309 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.1 75.15 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.17 -27.03 13.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 -40.02 62.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.31 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.17 -127.06 44.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.174 0.892 . . . . 0.0 113.418 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.08 -24.38 67.88 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.125 0.97 . . . . 0.0 113.538 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -83.68 4.57 28.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.987 1.315 . . . . 0.0 114.528 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.32 146.53 43.72 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.058 -1.026 . . . . 0.0 112.111 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp -64.54 151.31 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.279 1.431 . . . . 0.0 113.207 -171.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -114.92 12.09 16.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.221 1.408 . . . . 0.0 114.178 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.3 166.79 21.77 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.362 1.065 . . . . 0.0 112.244 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.27 -8.76 66.41 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.574 1.083 . . . . 0.0 115.784 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.02 -62.19 3.33 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 126.059 1.79 . . . . 0.0 114.591 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.86 -164.33 39.45 Favored Glycine 0 CA--C 1.542 1.746 0 C-N-CA 124.759 1.171 . . . . 0.0 114.024 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 m -67.87 145.92 54.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.236 1.015 . . . . 0.0 113.027 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.19 170.1 30.66 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.91 1.243 . . . . 0.0 113.968 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.57 146.21 5.43 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.621 1.105 . . . . 0.0 113.179 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.39 151.05 32.38 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.966 0.793 . . . . 0.0 113.654 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -109.15 12.92 24.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.424 1.49 . . . . 0.0 113.618 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.37 7.34 87.74 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.493 1.52 . . . . 0.0 114.756 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.24 -173.5 54.92 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.989 1.28 . . . . 0.0 116.071 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.49 50.86 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.793 1.187 . . . . 0.0 114.349 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.8 t 59.39 95.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.157 2.183 . . . . 0.0 113.02 -172.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 tpt -150.08 150.48 31.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.784 1.234 . . . . 0.0 112.244 -171.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.37 154.65 39.53 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.964 0.906 . . . . 0.0 112.812 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.69 146.98 98.68 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.549 1.14 . . . . 0.0 112.609 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.94 163.68 38.38 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.487 2.792 . . . . 0.0 113.202 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -136.67 150.85 48.71 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.762 1.625 . . . . 0.0 111.39 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -78.51 -28.89 46.34 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -166.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 p -73.23 -47.81 40.24 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.473 1.109 . . . . 0.0 112.321 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -156.77 166.69 32.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.537 1.935 . . . . 0.0 111.152 167.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.87 -25.88 0.13 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.969 1.148 . . . . 0.0 115.969 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -58.66 -42.78 89.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.929 1.365 . . . . 0.0 112.539 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -71.14 -43.29 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.56 1.544 . . . . 0.0 112.061 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.04 -45.76 66.45 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.009 1.324 . . . . 0.0 112.144 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.5 -41.74 79.6 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.009 0.924 . . . . 0.0 112.085 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.54 -48.02 76.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.796 0.838 . . . . 0.0 111.542 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.8 tp -60.61 -42.32 96.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.737 0.699 . . . . 0.0 112.34 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -66.18 -27.81 68.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.2 -45.32 18.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.707 0.803 . . . . 0.0 111.023 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.21 -34.66 78.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.768 0.827 . . . . 0.0 112.83 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.4 p -65.53 -32.23 73.72 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.434 1.015 . . . . 0.0 112.376 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.43 -31.07 42.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.625 1.57 . . . . 0.0 113.569 176.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.45 148.56 50.45 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 113.056 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -71.94 159.7 33.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.626 1.571 . . . . 0.0 112.924 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -53.21 -38.74 63.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.245 1.418 . . . . 0.0 112.614 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.02 -40.46 87.26 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.485 0.714 . . . . 0.0 112.751 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -37.06 77.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.472 1.109 . . . . 0.0 112.535 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.52 -43.14 99.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.708 1.203 . . . . 0.0 112.125 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.3 mtm -59.21 -47.0 86.96 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.02 0.373 . . . . 0.0 111.787 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.56 72.38 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -39.88 94.4 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.898 1.226 . . . . 0.0 111.313 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.92 86.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.943 1.297 . . . . 0.0 112.101 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.98 -46.57 84.03 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.648 -0.658 . . . . 0.0 111.049 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.75 -46.18 90.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.615 0.766 . . . . 0.0 112.427 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.91 -25.96 65.75 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.57 1.077 . . . . 0.0 113.399 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -74.92 -38.9 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.645 1.178 . . . . 0.0 112.881 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.46 -39.69 92.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.999 0.92 . . . . 0.0 111.926 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -80.64 -27.19 37.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -76.88 -30.77 56.36 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.872 1.215 . . . . 0.0 113.571 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.39 -12.38 60.05 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -106.38 9.16 31.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.05 1.34 . . . . 0.0 113.917 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.56 145.36 56.18 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.959 0.904 . . . . 0.0 112.554 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 C-N-CA 125.467 1.508 . . . . 0.0 113.407 175.622 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.48 150.15 77.38 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.107 3.205 . . . . 0.0 114.818 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 -167.71 43.81 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.681 1.134 . . . . 0.0 114.402 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 27.3 t 65.73 150.2 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.01 2.524 . . . . 0.0 116.058 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.04 -6.11 58.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.098 1.759 . . . . 0.0 113.676 171.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.91 147.86 0.11 Allowed Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.663 2.785 . . . . 0.0 113.748 -166.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.27 147.82 73.04 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.886 2.391 . . . . 0.0 113.944 -171.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -115.35 -14.09 11.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.463 1.905 . . . . 0.0 112.918 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 45.4 p-10 -89.9 21.99 3.36 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.537 1.935 . . . . 0.0 112.922 176.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 41.9 p -56.25 148.26 18.88 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.741 1.616 . . . . 0.0 113.388 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -61.13 -29.16 69.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.903 1.681 . . . . 0.0 113.843 -167.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.97 -30.57 68.02 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 112.558 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -63.3 -35.6 80.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 112.326 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -72.03 -45.21 61.71 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.551 0.74 . . . . 0.0 111.624 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.02 -31.22 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.334 1.054 . . . . 0.0 112.311 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.69 -25.82 61.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.955 0.902 . . . . 0.0 113.221 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.51 -27.86 10.21 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.44 177.17 4.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.869 1.668 . . . . 0.0 114.372 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.52 172.38 7.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.851 1.66 . . . . 0.0 112.884 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -60.85 -27.13 67.87 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.25 -29.72 70.02 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.112 -0.992 . . . . 0.0 113.264 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -75.28 -36.75 61.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.712 0.805 . . . . 0.0 111.627 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.18 -43.62 94.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.315 0.646 . . . . 0.0 110.632 174.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.78 69.92 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.64 53.45 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -31.63 27.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.08 -61.23 2.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.331 0.969 . . . . 0.0 110.837 165.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.21 -71.69 0.6 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.026 1.298 . . . . 0.0 112.7 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -144.72 124.79 13.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.152 2.181 . . . . 0.0 108.156 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -83.82 81.02 8.95 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 131.263 3.825 . . . . 0.0 114.457 1.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.03 152.3 44.94 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.216 158.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' B' ' 170' ' ' ASN . 7.4 tp -62.61 146.38 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -173.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -109.85 51.22 0.76 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.686 1.595 . . . . 0.0 111.111 173.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 61.4 17.16 8.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.448 1.899 . . . . 0.0 115.072 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.08 -4.31 72.14 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.553 1.549 . . . . 0.0 114.838 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.9 166.66 39.59 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.922 1.725 . . . . 0.0 112.172 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.98 -166.93 40.1 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.842 0.735 . . . . 0.0 114.078 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 85.5 p -84.87 16.3 3.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.548 1.939 . . . . 0.0 114.742 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.79 49.01 1.68 Allowed Glycine 0 CA--C 1.539 1.543 0 C-N-CA 126.798 2.142 . . . . 0.0 116.596 -172.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.97 176.34 48.13 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.178 1.371 . . . . 0.0 114.862 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.46 72.56 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.652 1.12 . . . . 0.0 115.462 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 80.1 p -69.77 168.91 14.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.667 1.587 . . . . 0.0 114.092 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -70.67 -171.69 10.81 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.149 1.357 . . . . 0.0 114.963 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -65.55 157.12 48.05 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.236 0.922 . . . . 0.0 114.743 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.53 170.45 45.72 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.473 1.035 . . . . 0.0 114.586 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 23.3 t -67.41 152.86 44.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 67.2 ttp -144.69 133.5 22.4 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.781 1.632 . . . . 0.0 110.995 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -94.57 -3.05 50.44 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -174.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.53 144.63 89.12 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.481 1.113 . . . . 0.0 112.266 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.39 155.37 52.62 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.383 2.722 . . . . 0.0 114.107 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.6 p -74.42 -18.06 60.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.963 1.305 . . . . 0.0 113.515 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 21.3 t 64.16 -53.15 0.26 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.431 2.693 . . . . 0.0 114.902 -171.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 82.0 p -155.08 152.08 29.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.78 1.632 . . . . 0.0 111.07 172.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 49.69 -114.17 0.69 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.04 1.736 . . . . 0.0 112.632 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.71 0.41 68.19 Favored Glycine 0 CA--C 1.535 1.303 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 170.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -56.13 -41.08 74.76 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.208 1.504 . . . . 0.0 112.372 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.95 -39.78 79.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.931 1.293 . . . . 0.0 112.702 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -71.94 -42.74 66.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.585 0.754 . . . . 0.0 112.198 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -62.06 -39.35 92.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.576 1.15 . . . . 0.0 111.656 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.66 -53.92 12.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.223 -0.923 . . . . 0.0 112.159 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.79 -38.47 90.76 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.08 -1.012 . . . . 0.0 113.48 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 -20.53 65.37 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -82.35 -50.26 9.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.696 1.198 . . . . 0.0 110.358 169.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.2 -28.92 70.02 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.599 -0.688 . . . . 0.0 112.652 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 77.9 p -69.38 -31.13 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.939 -1.101 . . . . 0.0 113.673 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -95.8 -21.4 18.15 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 150.15 49.25 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.865 1.266 . . . . 0.0 112.314 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 27.2 t -76.1 162.1 28.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.581 1.552 . . . . 0.0 113.018 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -51.84 -43.71 63.31 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.541 1.537 . . . . 0.0 112.419 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . 0.401 HD22 ' CG2' ' B' ' 132' ' ' ILE . 12.8 m120 -64.76 -42.18 95.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.093 0.957 . . . . 0.0 113.127 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.51 -38.66 87.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.509 0.724 . . . . 0.0 112.16 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.57 -43.27 99.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.318 1.047 . . . . 0.0 112.217 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.27 -40.97 97.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.584 0.354 . . . . 0.0 111.934 172.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.98 69.87 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -40.34 96.67 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.24 0.927 . . . . 0.0 111.263 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.4 -42.14 88.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.829 1.251 . . . . 0.0 112.089 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.48 -48.3 78.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.629 0.772 . . . . 0.0 111.728 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.84 -45.17 95.54 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.436 -0.79 . . . . 0.0 112.623 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.38 -24.34 62.94 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.064 0.847 . . . . 0.0 113.122 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -75.66 -37.75 59.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.254 1.022 . . . . 0.0 112.873 170.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.3 -34.48 78.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.902 0.881 . . . . 0.0 112.827 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -84.4 -33.43 23.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.11 -23.55 62.12 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.801 -1.187 . . . . 0.0 113.214 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.05 -7.87 58.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -123.14 -19.54 5.99 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.09 157.45 37.54 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.608 1.094 . . . . 0.0 112.955 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.454 0 C-N-CA 125.52 1.533 . . . . 0.0 113.729 179.072 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 CA-C-O 119.829 -0.428 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.09 147.07 96.74 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.89 3.06 . . . . 0.0 113.885 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.22 159.95 14.92 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.794 1.188 . . . . 0.0 113.267 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -72.44 138.75 47.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.111 0.964 . . . . 0.0 112.651 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -84.69 -4.0 58.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.91 151.31 0.12 Allowed Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 128.512 2.725 . . . . 0.0 113.882 -169.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.0 151.33 84.24 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.034 2.49 . . . . 0.0 113.14 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -115.9 -5.16 12.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.554 1.542 . . . . 0.0 114.409 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -138.91 2.84 2.18 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -68.73 -36.34 78.29 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.69 -1.256 . . . . 0.0 112.196 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -69.12 -36.53 77.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.313 0.645 . . . . 0.0 111.421 176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.75 -45.29 90.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.836 1.254 . . . . 0.0 110.507 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 m -69.73 -28.45 65.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.913 0.885 . . . . 0.0 112.234 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -68.91 -46.04 69.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.176 0.99 . . . . 0.0 112.066 169.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.76 -32.35 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.6 1.16 . . . . 0.0 112.428 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.85 -19.92 58.51 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.82 -44.15 5.83 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.977 1.275 . . . . 0.0 113.717 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.82 159.75 33.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.733 1.213 . . . . 0.0 113.449 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.01 175.96 5.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.4 1.08 . . . . 0.0 113.782 -172.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -60.85 -28.57 68.94 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.71 -33.5 75.77 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.468 -0.77 . . . . 0.0 112.589 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -76.8 -37.57 55.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.281 1.032 . . . . 0.0 111.781 175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.89 -47.14 87.74 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.663 0.785 . . . . 0.0 110.995 171.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.92 72.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.488 -0.757 . . . . 0.0 112.992 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.84 80.77 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 113.051 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.13 -28.66 16.18 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.7 -33.19 27.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.849 1.259 . . . . 0.0 112.67 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.72 -136.08 35.89 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.77 1.176 . . . . 0.0 113.084 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.76 -23.58 65.09 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.578 1.151 . . . . 0.0 113.447 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.23 12.03 23.73 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.037 1.335 . . . . 0.0 114.453 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -57.2 139.15 53.5 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.876 -1.14 . . . . 0.0 110.403 162.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -61.27 146.8 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.523 0.729 . . . . 0.0 112.711 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -95.92 0.14 51.56 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -93.27 156.62 16.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.8 1.64 . . . . 0.0 112.679 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.01 39.28 1.81 Allowed Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.357 1.456 . . . . 0.0 114.463 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.46 169.62 46.93 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.817 1.675 . . . . 0.0 114.888 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.42 -169.38 39.77 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.02 1.295 . . . . 0.0 113.055 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.3 p -73.06 -22.17 60.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 14.36 82.52 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.507 1.051 . . . . 0.0 114.251 -171.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.3 -151.48 40.22 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.536 1.168 . . . . 0.0 113.196 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.45 95.04 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.597 0.618 . . . . 0.0 113.46 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -54.92 142.66 28.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.77 1.628 . . . . 0.0 113.817 -171.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.07 178.87 43.03 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.481 1.039 . . . . 0.0 114.754 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.22 -166.9 35.31 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.528 1.537 . . . . 0.0 112.96 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.21 -9.87 38.07 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.835 1.207 . . . . 0.0 115.922 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.9 p -72.35 -21.17 61.35 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.097 1.359 . . . . 0.0 113.698 171.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.5 ttm -74.86 139.3 43.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.675 1.19 . . . . 0.0 111.242 174.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -148.84 152.06 35.83 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.841 1.256 . . . . 0.0 112.863 -175.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.52 154.51 94.37 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 126.166 1.786 . . . . 0.0 112.483 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -62.07 148.12 93.79 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.425 2.083 . . . . 0.0 112.209 168.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -75.65 -15.37 60.33 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 p -137.92 175.42 9.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.477 1.911 . . . . 0.0 112.033 -171.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -68.14 -31.42 70.97 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.616 1.167 . . . . 0.0 113.651 -173.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -78.3 163.65 25.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.734 1.614 . . . . 0.0 112.446 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.63 81.57 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 121.389 -0.819 . . . . 0.0 114.43 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -57.81 -37.64 74.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.591 1.156 . . . . 0.0 111.991 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.65 77.74 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.501 1.121 . . . . 0.0 113.07 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -74.05 -44.61 53.65 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.888 0.875 . . . . 0.0 111.102 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.38 -46.79 87.68 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.779 1.232 . . . . 0.0 111.798 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -62.06 -53.57 53.61 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.589 1.155 . . . . 0.0 111.728 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.96 -36.78 85.48 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.321 -0.862 . . . . 0.0 112.972 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 t -65.5 -34.48 78.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.73 1.212 . . . . 0.0 113.358 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -80.54 -38.91 28.74 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.725 1.148 . . . . 0.0 112.761 171.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.35 -37.31 67.3 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.272 1.029 . . . . 0.0 113.606 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -66.79 -22.82 66.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -85.7 -25.65 26.38 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.293 1.837 . . . . 0.0 112.903 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.53 150.19 47.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.571 1.548 . . . . 0.0 111.532 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.7 p -69.46 167.84 15.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.955 0.902 . . . . 0.0 112.539 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -57.89 -38.12 75.22 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.516 -0.74 . . . . 0.0 111.885 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -65.85 -43.3 88.87 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.678 -0.639 . . . . 0.0 112.05 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.37 -39.38 89.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.594 0.758 . . . . 0.0 112.214 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.69 -38.74 85.99 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.496 1.118 . . . . 0.0 112.566 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.9 mtm -70.28 -41.22 73.68 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.877 -0.515 . . . . 0.0 112.281 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.77 82.42 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -177.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.42 -38.0 88.62 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.042 0.837 . . . . 0.0 111.322 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.67 93.77 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.371 1.068 . . . . 0.0 112.305 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.522 1.129 . . . . 0.0 111.192 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.46 -47.65 85.21 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.657 0.783 . . . . 0.0 112.764 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.05 -24.15 64.14 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.34 -40.73 50.53 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.057 0.844 . . . . 0.0 112.377 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.8 -37.92 89.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.495 0.718 . . . . 0.0 111.981 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -80.12 -26.73 39.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -78.62 -32.28 47.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.114 1.325 . . . . 0.0 113.266 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.26 -17.61 60.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -94.78 3.18 55.32 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -64.91 146.42 54.96 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.053 -1.029 . . . . 0.0 112.734 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.424 1.488 . . . . 0.0 112.653 173.9 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.19 168.36 22.33 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.363 3.375 . . . . 0.0 113.103 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.93 -160.52 48.53 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.274 0.94 . . . . 0.0 113.952 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -65.75 146.57 54.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.072 0.949 . . . . 0.0 112.826 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -76.28 -12.17 60.03 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.154 1.382 . . . . 0.0 114.297 -174.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.82 161.67 34.25 Favored Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 126.703 2.001 . . . . 0.0 112.076 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.51 148.78 79.25 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.858 3.039 . . . . 0.0 113.95 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -96.78 -29.25 13.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.066 1.347 . . . . 0.0 112.318 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.05 44.97 1.01 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.071 1.748 . . . . 0.0 111.542 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 34.0 p -46.91 115.41 1.06 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.924 1.689 . . . . 0.0 112.845 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -74.58 -45.67 43.72 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -154.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.11 -32.39 73.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.717 -0.614 . . . . 0.0 112.084 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 m -75.32 -43.8 48.85 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.133 0.973 . . . . 0.0 112.614 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.29 -48.33 61.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.166 0.986 . . . . 0.0 112.743 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -66.6 -24.36 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.446 . . . . 0.0 112.697 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -80.17 -25.46 39.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.903 -1.123 . . . . 0.0 113.895 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.07 -36.03 25.8 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.041 0.829 . . . . 0.0 114.171 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -76.83 176.72 8.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.741 1.617 . . . . 0.0 113.225 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.44 178.44 6.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.148 1.379 . . . . 0.0 113.309 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -58.93 -30.05 67.56 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -64.93 -33.42 75.97 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 112.507 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.01 -36.11 49.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.526 1.13 . . . . 0.0 111.711 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.32 -45.24 94.11 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 110.935 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.96 73.39 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 174.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.2 74.4 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.943 0.792 . . . . 0.0 112.703 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.87 -32.99 30.79 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.02 -38.31 53.17 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.754 1.161 . . . . 0.0 112.144 169.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.1 -132.29 30.8 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.528 0.585 . . . . 0.0 111.95 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.65 -16.6 61.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.82 -1.7 40.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.928 1.291 . . . . 0.0 113.99 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.09 150.65 42.14 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.95 142.46 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.986 0.915 . . . . 0.0 112.995 -173.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -93.75 52.78 1.73 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.345 1.458 . . . . 0.0 110.587 168.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 62.83 152.8 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 128.043 2.537 . . . . 0.0 114.877 -169.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 173.57 -157.65 26.31 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.845 1.212 . . . . 0.0 113.22 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -165.24 175.19 41.11 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.029 0.823 . . . . 0.0 113.557 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -172.29 -170.96 36.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.233 -1.745 . . . . 0.0 113.296 2.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 38.8 t -132.94 141.28 48.26 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.362 1.465 . . . . 0.0 110.813 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.84 143.11 10.36 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.425 1.012 . . . . 0.0 112.669 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.69 176.47 33.92 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 124.866 1.222 . . . . 0.0 112.502 -164.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -166.26 72.17 0.17 Allowed Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.975 0.798 . . . . 0.0 112.872 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.0 p -154.29 157.96 39.46 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.774 1.63 . . . . 0.0 111.728 -174.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.92 -164.6 39.51 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 128.059 2.742 . . . . 0.0 114.214 -7.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.18 161.13 33.72 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.418 1.485 . . . . 0.0 112.232 174.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 61.84 -119.79 19.59 Favored Glycine 0 CA--C 1.532 1.135 0 O-C-N 122.001 -0.705 . . . . 0.0 111.783 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -67.9 -16.67 64.19 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.867 1.267 . . . . 0.0 114.083 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 69.8 mtm 62.76 165.62 0.11 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.627 2.371 . . . . 0.0 115.149 -177.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -71.5 107.94 4.66 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.145 0.978 . . . . 0.0 111.044 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.22 132.65 76.07 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.681 0.792 . . . . 0.0 111.571 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.45 163.12 34.93 Favored 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 123.27 2.647 . . . . 0.0 112.066 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.9 t -67.63 154.13 42.16 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.734 0.814 . . . . 0.0 111.649 164.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 84.3 p -70.6 -18.27 62.89 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.167 0.987 . . . . 0.0 113.213 172.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 21.6 t -76.56 -35.89 57.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.881 1.272 . . . . 0.0 114.17 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -162.21 167.15 24.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.417 1.487 . . . . 0.0 112.044 -171.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 164.0 -6.34 0.07 OUTLIER Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.251 1.261 . . . . 0.0 116.251 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -63.58 -32.56 74.06 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.559 1.68 . . . . 0.0 113.608 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -37.88 27.45 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.109 1.364 . . . . 0.0 112.857 174.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.84 -44.57 66.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.439 1.096 . . . . 0.0 112.194 -175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -62.57 -46.96 85.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.029 0.932 . . . . 0.0 111.463 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.66 -48.93 75.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.45 1.1 . . . . 0.0 112.133 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.19 -37.76 88.35 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.421 -0.799 . . . . 0.0 112.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 45.6 t -61.89 -45.87 91.86 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.762 0.71 . . . . 0.0 111.675 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -63.51 -49.77 72.25 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.393 1.077 . . . . 0.0 111.728 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.84 -31.69 72.95 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.761 0.824 . . . . 0.0 112.66 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.4 t -61.49 -38.52 87.61 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.956 -1.09 . . . . 0.0 112.274 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -80.08 -27.32 39.3 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.067 1.347 . . . . 0.0 114.609 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.33 155.5 39.36 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.767 1.227 . . . . 0.0 113.056 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 46.6 t -71.71 157.49 37.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.094 1.357 . . . . 0.0 113.038 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -54.22 -43.05 70.49 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.391 1.076 . . . . 0.0 111.944 172.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -59.96 -41.66 92.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.62 -40.39 88.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.293 0.637 . . . . 0.0 112.161 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.66 -42.87 99.51 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.79 -42.45 99.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.603 0.638 . . . . 0.0 112.14 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.81 69.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.61 -38.58 87.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.032 0.833 . . . . 0.0 111.878 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.03 91.03 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.995 0.918 . . . . 0.0 112.37 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.22 -50.3 73.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.715 0.806 . . . . 0.0 110.634 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.47 -50.48 73.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.543 0.737 . . . . 0.0 112.747 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.76 -26.17 65.99 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.044 0.838 . . . . 0.0 112.998 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -79.62 -33.09 41.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.224 1.01 . . . . 0.0 112.855 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -68.92 -38.56 79.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.309 1.044 . . . . 0.0 112.601 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.83 -33.46 46.05 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.84 -31.12 64.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.974 1.261 . . . . 0.0 113.292 -174.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.15 -10.76 60.22 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -106.37 1.15 25.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.58 1.152 . . . . 0.0 113.797 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -72.35 157.38 37.78 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.965 -1.085 . . . . 0.0 112.868 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.697 1.618 . . . . 0.0 112.861 177.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.524 -0.598 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.26 158.3 58.14 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.235 3.29 . . . . 0.0 112.999 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.59 -156.25 40.56 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.069 0.842 . . . . 0.0 113.599 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.6 m -61.95 149.57 40.25 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.927 1.291 . . . . 0.0 113.776 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -73.75 -20.32 60.53 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 158.62 82.14 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 124.821 1.248 . . . . 0.0 114.166 -174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.99 165.54 18.79 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.193 3.262 . . . . 0.0 113.78 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.81 -31.19 17.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.514 1.126 . . . . 0.0 113.059 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -75.19 -12.06 60.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.469 1.107 . . . . 0.0 113.766 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.7 p -65.51 -24.08 67.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.013 -1.054 . . . . 0.0 112.727 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -68.96 -39.33 79.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.143 -0.973 . . . . 0.0 112.6 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.73 -42.0 91.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.99 0.516 . . . . 0.0 110.62 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -61.5 -39.16 89.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.802 0.841 . . . . 0.0 112.764 174.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -67.39 -50.33 60.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.133 -0.98 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.03 -31.75 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.634 1.174 . . . . 0.0 112.44 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.03 -22.48 60.63 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.083 . . . . 0.0 113.752 171.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.92 -42.91 5.54 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.845 1.212 . . . . 0.0 114.589 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 165.49 25.06 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.65 1.18 . . . . 0.0 113.154 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 177.08 4.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.821 1.248 . . . . 0.0 113.743 -173.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -58.0 -28.98 64.91 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -67.0 -34.75 78.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.078 0.951 . . . . 0.0 112.378 172.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.52 -35.23 53.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.929 1.291 . . . . 0.0 112.076 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.28 -45.21 89.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.34 0.656 . . . . 0.0 110.776 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.9 72.22 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.211 -0.93 . . . . 0.0 113.155 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.09 -17.98 63.93 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.84 -30.5 6.73 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.62 -36.43 62.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.994 1.318 . . . . 0.0 112.261 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.72 -120.88 20.86 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.924 1.25 . . . . 0.0 112.736 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.03 -24.68 66.36 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -87.99 3.74 47.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.779 1.232 . . . . 0.0 113.322 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.18 142.88 58.22 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.308 -0.87 . . . . 0.0 111.796 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp -58.49 149.92 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.944 0.898 . . . . 0.0 113.115 -171.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -103.21 23.42 12.45 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -137.31 154.93 49.97 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.601 1.16 . . . . 0.0 113.524 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.18 175.52 54.91 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 114.197 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.82 158.79 51.36 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.448 1.023 . . . . 0.0 113.965 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 153.78 52.04 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.736 1.16 . . . . 0.0 114.381 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.3 p -74.51 160.59 30.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.621 1.168 . . . . 0.0 113.149 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.61 79.09 1.58 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.732 1.158 . . . . 0.0 112.393 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.63 166.32 49.14 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.578 1.085 . . . . 0.0 115.274 -178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.7 177.61 43.95 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.771 1.177 . . . . 0.0 114.05 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -65.2 134.3 53.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 0.0 112.618 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.24 163.25 11.43 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.456 1.503 . . . . 0.0 113.257 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.53 168.35 22.32 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.735 1.16 . . . . 0.0 114.033 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.47 146.67 40.98 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.151 0.882 . . . . 0.0 113.187 174.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -156.9 152.25 26.53 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.353 1.461 . . . . 0.0 111.878 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.7 mtt -144.17 142.62 30.65 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -92.0 2.03 56.81 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.711 1.204 . . . . 0.0 113.359 171.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.4 145.15 97.15 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.918 1.687 . . . . 0.0 112.358 -175.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.94 146.86 53.99 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.266 2.644 . . . . 0.0 112.419 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.3 p -72.22 147.16 46.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.999 0.92 . . . . 0.0 111.907 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -147.45 3.67 0.77 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -169.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 m -72.44 153.08 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.69 1.196 . . . . 0.0 113.592 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.93 157.69 32.64 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.3 1.04 . . . . 0.0 111.903 168.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.9 -49.27 80.47 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 120.974 -1.079 . . . . 0.0 114.379 -172.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -64.62 -35.49 81.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.162 0.985 . . . . 0.0 111.86 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -70.74 -47.06 61.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.111 1.764 . . . . 0.0 110.876 -176.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -57.99 -51.72 68.51 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.97 -37.28 84.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -76.9 -53.72 7.51 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.737 0.815 . . . . 0.0 112.026 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.24 -36.81 85.29 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.197 -0.939 . . . . 0.0 112.888 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.3 t -62.44 -32.35 73.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.614 0.765 . . . . 0.0 112.65 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -76.02 -47.58 24.26 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.062 -1.024 . . . . 0.0 110.837 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.6 -23.19 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -73.35 -32.79 64.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.006 -1.684 . . . . 0.0 112.873 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -79.09 -37.77 37.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.393 1.477 . . . . 0.0 113.4 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.9 144.6 56.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.54 1.136 . . . . 0.0 112.29 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -71.03 159.41 34.79 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.289 1.435 . . . . 0.0 112.136 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -43.47 -52.96 5.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.003 1.721 . . . . 0.0 112.233 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -67.03 -35.76 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.632 1.173 . . . . 0.0 112.786 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.21 -40.57 86.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.205 1.002 . . . . 0.0 112.097 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.23 -44.22 88.95 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.097 0.959 . . . . 0.0 111.78 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -58.25 -36.9 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.742 0.817 . . . . 0.0 112.301 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.97 -50.24 17.32 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -34.88 78.7 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 120.924 -1.11 . . . . 0.0 112.472 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.05 77.88 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.028 0.931 . . . . 0.0 112.563 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.418 -0.802 . . . . 0.0 110.734 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -55.52 -51.31 67.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.373 1.069 . . . . 0.0 112.982 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.83 -24.37 64.37 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -75.55 -41.63 54.37 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.805 1.242 . . . . 0.0 111.996 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.56 -33.4 74.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.39 1.076 . . . . 0.0 112.468 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -82.37 -29.58 30.83 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.95 -31.39 56.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.905 1.23 . . . . 0.0 113.222 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.75 -9.26 53.83 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -107.01 1.59 24.48 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.865 1.266 . . . . 0.0 114.164 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.46 150.92 44.44 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.119 -0.988 . . . . 0.0 111.531 170.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.422 1.487 . . . . 0.0 112.833 177.438 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -69.67 168.42 21.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.177 3.251 . . . . 0.0 112.964 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.78 42.43 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.223 0.916 . . . . 0.0 113.658 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -153.88 177.25 11.22 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.585 1.554 . . . . 0.0 112.531 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.89 -15.87 63.34 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.87 159.44 0.11 Allowed Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 128.115 2.566 . . . . 0.0 115.317 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.93 162.42 32.38 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 123.589 2.859 . . . . 0.0 113.899 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.4 -19.7 24.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.125 1.37 . . . . 0.0 113.068 171.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -114.92 34.57 4.75 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.033 2.133 . . . . 0.0 112.656 -172.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 80.9 p -59.27 161.13 5.76 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.084 1.354 . . . . 0.0 113.167 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -59.57 -39.22 83.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.004 1.322 . . . . 0.0 112.058 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -35.58 80.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.798 1.239 . . . . 0.0 112.063 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 26.3 t -63.19 -35.03 78.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.805 0.842 . . . . 0.0 112.358 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -72.48 -48.62 39.33 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.154 -0.967 . . . . 0.0 111.784 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.44 -32.02 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.431 1.092 . . . . 0.0 113.017 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -72.63 -20.79 61.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.475 1.11 . . . . 0.0 113.878 172.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.37 -32.5 6.97 Favored Glycine 0 CA--C 1.543 1.823 0 C-N-CA 124.324 0.964 . . . . 0.0 114.918 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.08 179.98 4.7 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.181 1.392 . . . . 0.0 113.819 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.68 175.01 9.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.837 1.255 . . . . 0.0 113.172 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.92 -28.33 67.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -171.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.65 -33.57 76.2 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.185 -0.947 . . . . 0.0 112.443 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -74.89 -36.16 62.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.104 . . . . 0.0 111.833 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.73 -46.55 84.89 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.31 0.644 . . . . 0.0 111.274 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.71 -31.32 71.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.82 -21.37 63.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -28.64 7.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -75.1 -34.36 61.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.64 1.176 . . . . 0.0 111.601 168.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.06 -132.51 42.92 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.921 1.248 . . . . 0.0 113.353 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -65.93 -16.89 64.27 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.046 0.938 . . . . 0.0 113.332 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -96.24 11.53 34.19 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.604 1.562 . . . . 0.0 113.321 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -57.45 153.52 12.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.999 1.32 . . . . 0.0 112.344 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.07 146.7 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.256 1.022 . . . . 0.0 112.566 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -96.81 3.53 52.2 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -73.04 -16.4 61.49 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.818 1.247 . . . . 0.0 113.823 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.57 -140.15 28.81 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.236 0.922 . . . . 0.0 114.162 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.7 -160.32 9.0 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.902 1.239 . . . . 0.0 115.218 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.42 -144.79 17.43 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.314 1.435 . . . . 0.0 112.69 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 73.7 p -66.03 154.14 40.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.353 1.061 . . . . 0.0 113.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -173.77 -177.11 42.73 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.993 1.282 . . . . 0.0 113.302 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 68.54 -159.86 51.86 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.215 0.912 . . . . 0.0 114.196 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.0 -169.71 25.07 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 124.963 1.268 . . . . 0.0 114.316 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t -149.28 131.67 15.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.425 1.09 . . . . 0.0 112.073 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -83.29 -174.3 50.29 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.413 1.483 . . . . 0.0 115.217 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 171.51 179.73 42.74 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.09 1.329 . . . . 0.0 113.335 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.74 140.49 31.74 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 123.719 0.676 . . . . 0.0 112.613 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 29.7 t -71.16 143.32 50.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.005 0.922 . . . . 0.0 112.253 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 42.0 ttm -153.65 148.75 26.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.466 1.506 . . . . 0.0 110.588 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.01 -2.93 29.53 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 mttt 65.79 142.45 0.07 OUTLIER Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 129.854 3.261 . . . . 0.0 114.422 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.56 149.29 49.24 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.009 2.473 . . . . 0.0 113.567 -171.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.6 p -80.05 -9.65 59.71 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.451 1.1 . . . . 0.0 113.738 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 16.1 m -70.24 -9.75 56.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.746 1.618 . . . . 0.0 114.922 -176.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 8.5 t -149.82 168.1 24.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 112.398 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -69.26 129.86 41.0 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.448 1.099 . . . . 0.0 112.481 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.97 87.43 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.954 0.788 . . . . 0.0 113.851 -175.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -62.72 -33.64 75.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.329 1.051 . . . . 0.0 112.394 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -73.21 -53.57 10.6 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.397 1.879 . . . . 0.0 110.287 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.88 -47.39 85.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.829 0.852 . . . . 0.0 112.869 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.59 -49.05 67.63 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.681 -0.637 . . . . 0.0 112.155 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -64.75 -44.53 89.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.807 0.843 . . . . 0.0 112.329 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.23 -34.1 76.74 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.31 -0.869 . . . . 0.0 112.297 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 23.7 t -66.03 -44.3 85.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.326 0.65 . . . . 0.0 111.516 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -56.22 -48.5 76.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.631 1.105 . . . . 0.0 111.165 173.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.43 -23.87 63.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 42.8 t -70.18 -40.24 74.77 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.005 -1.059 . . . . 0.0 111.877 167.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -75.14 -41.59 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.646 1.578 . . . . 0.0 114.86 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.63 156.39 35.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 113.066 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.2 t -70.76 155.89 40.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.965 1.306 . . . . 0.0 112.739 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.41 -37.78 57.45 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.104 1.362 . . . . 0.0 112.307 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -66.55 -40.41 89.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.796 0.838 . . . . 0.0 112.599 174.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.03 -38.87 83.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.016 0.926 . . . . 0.0 112.323 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.73 -41.03 94.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.283 1.433 . . . . 0.0 112.085 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.51 -47.29 84.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.535 0.607 . . . . 0.0 111.335 169.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.43 76.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.28 -38.47 90.36 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.17 0.896 . . . . 0.0 111.233 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.68 92.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.982 0.913 . . . . 0.0 111.738 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -46.5 89.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.218 1.007 . . . . 0.0 111.194 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.58 -47.86 81.97 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.334 -0.854 . . . . 0.0 112.741 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.45 -23.2 62.67 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.518 1.054 . . . . 0.0 113.512 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -73.82 -40.69 63.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.864 1.266 . . . . 0.0 112.187 171.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -69.2 -28.33 66.29 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -86.7 -35.1 19.47 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.43 -20.87 62.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.106 1.321 . . . . 0.0 113.418 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.54 -9.94 59.71 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 174.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -124.17 -32.52 3.2 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 48.48 -155.64 0.08 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 126.917 2.087 . . . . 0.0 114.399 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 C-N-CA 125.544 1.545 . . . . 0.0 112.692 -178.842 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.01 163.73 15.83 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.096 3.198 . . . . 0.0 114.187 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.97 -168.44 54.11 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.133 0.873 . . . . 0.0 114.147 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 56.97 32.07 20.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.657 1.583 . . . . 0.0 114.133 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -67.87 -15.78 63.78 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.128 0.971 . . . . 0.0 113.499 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.97 149.88 0.11 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 128.897 2.879 . . . . 0.0 115.761 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.55 130.61 19.91 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.138 2.558 . . . . 0.0 113.324 -176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -13.63 42.23 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.044 1.337 . . . . 0.0 113.085 167.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -82.89 2.24 35.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.529 1.932 . . . . 0.0 114.415 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.4 p -57.79 117.64 4.47 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.02 1.328 . . . . 0.0 111.789 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -70.19 -30.92 68.15 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 -160.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.59 -35.91 82.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.198 1.363 . . . . 0.0 111.618 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 m -76.23 -39.17 55.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.081 0.953 . . . . 0.0 112.337 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -65.55 -47.54 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.51 0.724 . . . . 0.0 112.678 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.51 -25.2 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.1 1.36 . . . . 0.0 113.086 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.91 -18.89 35.86 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.039 -1.038 . . . . 0.0 113.792 171.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.71 -36.01 8.86 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.926 1.251 . . . . 0.0 114.419 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.7 173.39 9.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.299 1.44 . . . . 0.0 112.999 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 173.54 6.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.27 1.028 . . . . 0.0 113.507 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.21 -28.51 68.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.322 1.049 . . . . 0.0 113.587 -173.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 112.431 173.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -76.54 -36.92 57.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 111.566 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.99 -47.83 84.22 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.065 0.546 . . . . 0.0 110.82 170.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.42 80.42 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.96 92.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.56 -29.03 18.09 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.97 -39.35 56.15 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.613 1.165 . . . . 0.0 112.086 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.93 -126.54 37.02 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 112.904 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.84 -26.16 67.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.438 1.095 . . . . 0.0 113.131 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -80.89 1.08 32.38 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.925 1.29 . . . . 0.0 113.712 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.6 148.82 36.9 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.156 -0.965 . . . . 0.0 111.862 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -62.67 146.2 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.109 0.963 . . . . 0.0 112.844 -171.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -103.79 9.85 36.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.529 1.132 . . . . 0.0 113.562 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.72 7.47 26.62 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.463 1.905 . . . . 0.0 113.588 177.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 29.88 37.77 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 114.361 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.8 -166.18 32.52 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.368 1.461 . . . . 0.0 113.734 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 154.01 52.84 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.463 1.03 . . . . 0.0 115.042 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -81.11 156.08 25.95 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.014 1.326 . . . . 0.0 113.431 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.74 171.92 54.94 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.257 0.932 . . . . 0.0 113.634 169.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.23 140.08 26.89 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.534 1.064 . . . . 0.0 113.723 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.01 150.04 23.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.928 1.251 . . . . 0.0 114.564 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -72.11 -26.69 62.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.442 1.097 . . . . 0.0 113.74 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -7.64 65.6 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 -175.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.25 12.27 13.77 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.295 1.426 . . . . 0.0 115.957 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.93 -1.93 60.4 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.976 1.55 . . . . 0.0 116.976 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.9 t -66.25 147.25 53.6 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.387 1.593 . . . . 0.0 112.731 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 96.4 mtp -69.5 138.22 53.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.284 1.034 . . . . 0.0 112.894 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -80.95 149.63 29.3 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.422 1.089 . . . . 0.0 112.595 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -143.48 154.24 59.84 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.952 2.101 . . . . 0.0 111.244 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -65.73 159.91 46.16 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.343 2.696 . . . . 0.0 113.185 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.7 p -68.19 159.51 30.97 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.023 1.329 . . . . 0.0 113.497 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -145.49 161.76 38.97 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.445 1.498 . . . . 0.0 110.935 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 54.13 -126.29 2.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.54 1.136 . . . . 0.0 111.049 -170.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.73 115.27 7.11 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.244 1.384 . . . . 0.0 111.426 173.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.0 -40.66 42.73 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.064 0.84 . . . . 0.0 113.453 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -62.03 -36.88 82.9 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.049 0.94 . . . . 0.0 112.01 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -67.34 -50.21 60.88 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.791 1.636 . . . . 0.0 111.582 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -61.8 -51.36 68.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.492 0.717 . . . . 0.0 112.478 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -63.43 -48.6 77.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 112.496 -173.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.29 -51.8 58.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.774 . . . . 0.0 111.935 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -37.77 88.63 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.48 -0.762 . . . . 0.0 112.388 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -63.73 -48.22 77.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.542 0.737 . . . . 0.0 112.015 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.49 -38.93 85.11 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.432 -0.793 . . . . 0.0 112.728 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.5 -29.32 69.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.144 0.884 . . . . 0.0 112.686 174.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.0 -23.11 62.12 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -82.03 -38.18 25.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 113.528 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.0 152.85 42.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.752 1.221 . . . . 0.0 113.224 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -70.65 160.79 31.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.144 1.377 . . . . 0.0 113.002 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -55.09 -41.0 71.04 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.931 1.292 . . . . 0.0 111.851 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -65.6 -40.74 93.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.293 0.637 . . . . 0.0 112.631 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.57 -38.38 80.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.164 0.985 . . . . 0.0 112.549 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.7 -40.51 95.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.727 1.211 . . . . 0.0 111.976 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.0 mtm -63.06 -45.2 93.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.971 0.351 . . . . 0.0 111.669 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.45 71.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.19 -36.83 84.1 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.134 -0.979 . . . . 0.0 111.346 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.78 89.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.071 0.949 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.69 -48.32 79.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.559 0.744 . . . . 0.0 110.945 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.24 -46.23 89.79 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.34 -27.54 67.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.344 0.975 . . . . 0.0 113.119 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -73.74 -38.1 64.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.094 0.958 . . . . 0.0 112.765 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -71.65 -34.14 69.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.617 0.767 . . . . 0.0 112.644 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -82.98 -27.33 30.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -75.84 -27.86 58.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.225 1.375 . . . . 0.0 113.571 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.41 -16.92 59.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -94.55 2.32 55.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.441 1.097 . . . . 0.0 113.853 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -67.11 153.05 44.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.016 0.926 . . . . 0.0 112.559 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.826 178.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -67.64 -13.25 38.28 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.072 3.182 . . . . 0.0 116.109 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.43 84.7 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.367 0.984 . . . . 0.0 113.71 -170.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 97.4 p -150.26 169.95 20.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.836 2.054 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.88 -32.28 73.5 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.09 141.89 0.05 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.824 2.85 . . . . 0.0 115.35 -172.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.56 149.62 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.195 2.597 . . . . 0.0 112.773 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -117.25 -21.43 8.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.569 1.548 . . . . 0.0 112.823 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -74.38 -8.48 56.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.61 1.164 . . . . 0.0 114.065 -172.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -65.49 -33.7 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.637 1.175 . . . . 0.0 112.894 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -70.37 -43.11 70.81 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.155 -0.965 . . . . 0.0 111.273 174.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.94 -42.87 99.6 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 110.682 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -62.61 -40.04 95.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.066 1.346 . . . . 0.0 112.141 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.01 -46.68 73.76 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.126 -0.984 . . . . 0.0 111.999 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.75 -28.06 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.304 1.042 . . . . 0.0 112.457 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.7 -25.11 44.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.439 -1.413 . . . . 0.0 114.57 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.53 -36.62 29.41 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.228 0.918 . . . . 0.0 114.129 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.01 171.42 15.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.389 1.476 . . . . 0.0 112.895 174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.91 177.04 5.46 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.024 1.33 . . . . 0.0 113.626 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -58.93 -29.25 66.96 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.21 -34.84 78.93 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.369 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.31 -34.64 55.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.28 -48.06 83.16 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.462 0.705 . . . . 0.0 110.409 170.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.44 71.26 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.71 65.12 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.06 -29.71 10.72 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.33 -37.27 68.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.887 1.275 . . . . 0.0 111.743 169.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.93 -129.79 38.66 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.129 0.871 . . . . 0.0 112.502 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -64.34 -19.2 65.3 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.35 7.4 22.56 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.607 1.163 . . . . 0.0 114.007 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.22 155.81 16.73 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.884 -1.135 . . . . 0.0 112.376 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.0 tp -69.77 154.18 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.618 1.167 . . . . 0.0 113.203 -172.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.21 2.46 26.9 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -82.38 149.2 27.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.556 1.142 . . . . 0.0 112.919 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -83.41 -13.42 76.38 Favored Glycine 0 CA--C 1.539 1.532 0 N-CA-C 115.867 1.107 . . . . 0.0 115.867 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 172.45 -168.5 41.57 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 118.371 1.085 . . . . 0.0 113.998 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -176.85 -164.31 30.51 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.433 1.492 . . . . 0.0 113.303 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 8.0 t 57.51 49.65 12.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.281 1.433 . . . . 0.0 113.234 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.2 -15.95 73.09 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.261 1.41 . . . . 0.0 114.193 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 81.4 -171.97 53.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.068 1.318 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 175.35 -132.47 2.17 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.899 0.762 . . . . 0.0 113.064 -174.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 146.89 54.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 113.186 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.13 -159.84 35.92 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.374 1.464 . . . . 0.0 114.055 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.65 7.29 88.61 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.37 151.26 49.55 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 118.637 1.219 . . . . 0.0 113.553 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -157.77 153.66 26.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.941 1.297 . . . . 0.0 111.903 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 28.5 ttt -71.79 133.55 45.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.506 1.123 . . . . 0.0 112.242 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -78.59 156.35 29.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.374 1.07 . . . . 0.0 112.844 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -77.07 149.25 79.58 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 123.715 0.806 . . . . 0.0 110.986 164.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.66 166.58 29.04 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.615 2.877 . . . . 0.0 112.671 172.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.0 t -152.12 149.11 28.44 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.754 1.221 . . . . 0.0 111.609 169.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 60.2 m -79.3 -19.68 49.82 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 26.4 t -78.64 108.65 12.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.599 0.759 . . . . 0.0 111.271 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 48.85 45.3 22.27 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 123.152 1.453 . . . . 0.0 114.338 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -65.34 -19.19 66.21 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 125.788 1.661 . . . . 0.0 113.949 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -59.58 -38.27 80.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.983 1.713 . . . . 0.0 113.353 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -76.75 -39.47 51.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.529 1.132 . . . . 0.0 112.934 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -72.41 -44.57 62.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.711 0.804 . . . . 0.0 112.291 -173.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -66.3 -28.88 69.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.33 1.052 . . . . 0.0 112.559 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -77.51 -52.13 9.57 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.969 1.308 . . . . 0.0 111.864 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.64 -36.96 84.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.942 0.897 . . . . 0.0 112.953 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 89.8 p -70.13 -19.78 63.2 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -77.47 -49.46 14.73 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.855 -1.153 . . . . 0.0 111.157 161.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -30.98 66.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.373 1.069 . . . . 0.0 113.408 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 93.0 p -68.41 -34.35 75.85 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.399 0.999 . . . . 0.0 113.547 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -81.09 -36.62 30.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.76 1.624 . . . . 0.0 113.361 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.38 149.33 50.17 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.698 1.199 . . . . 0.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 45.3 t -72.61 156.46 38.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.986 1.314 . . . . 0.0 111.955 176.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -56.05 -35.89 67.42 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.992 -1.068 . . . . 0.0 112.841 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -62.85 -41.17 99.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.564 0.746 . . . . 0.0 112.053 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.21 -38.29 81.77 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.583 0.753 . . . . 0.0 111.991 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.58 -43.58 98.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.771 0.714 . . . . 0.0 112.25 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.23 -41.72 97.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.331 0.514 . . . . 0.0 111.463 173.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.83 -56.76 10.23 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.06 -37.28 82.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.181 0.901 . . . . 0.0 112.265 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.15 93.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.053 0.941 . . . . 0.0 112.213 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -42.22 75.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.405 -0.81 . . . . 0.0 110.756 175.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -57.36 -53.17 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.377 -0.827 . . . . 0.0 112.363 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.99 -27.88 66.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -74.17 -38.0 63.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.686 1.194 . . . . 0.0 112.351 174.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.76 -41.86 67.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.132 0.973 . . . . 0.0 112.061 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -75.97 -26.44 56.8 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -76.9 -32.23 57.29 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.055 1.298 . . . . 0.0 113.401 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.3 pp -78.46 -14.0 59.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -94.54 0.24 55.11 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.816 1.246 . . . . 0.0 113.648 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.54 153.69 43.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.39 1.076 . . . . 0.0 112.396 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 C-N-CA 125.332 1.444 . . . . 0.0 113.397 179.349 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 119.702 -0.499 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.28 145.69 78.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.909 3.072 . . . . 0.0 112.79 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.54 155.79 41.97 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.644 1.116 . . . . 0.0 113.995 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -70.83 148.7 47.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.67 1.188 . . . . 0.0 112.424 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -72.54 -26.25 61.68 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.93 150.35 0.09 OUTLIER Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 127.996 2.519 . . . . 0.0 115.481 -173.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.51 111.84 3.39 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.766 2.311 . . . . 0.0 112.133 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.43 -15.13 60.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.637 1.175 . . . . 0.0 112.801 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -75.08 -3.92 35.47 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.235 1.814 . . . . 0.0 113.706 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.5 t -128.29 132.67 48.67 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.019 1.327 . . . . 0.0 112.14 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -70.46 -21.52 62.78 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.818 1.247 . . . . 0.0 113.12 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.14 -55.96 13.8 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.314 0.961 . . . . 0.0 110.831 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.3 m -65.35 -28.78 69.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.764 0.826 . . . . 0.0 112.836 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -64.7 -53.33 48.92 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.091 0.956 . . . . 0.0 111.621 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -70.15 -29.56 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.918 1.287 . . . . 0.0 112.986 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -25.04 61.49 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.804 -1.185 . . . . 0.0 113.341 172.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.76 -35.92 27.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.977 0.798 . . . . 0.0 114.64 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.56 176.23 9.97 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.72 1.608 . . . . 0.0 112.99 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.56 178.53 6.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.04 1.336 . . . . 0.0 113.295 -177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -59.46 -28.94 67.44 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.01 -35.04 79.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.26 -0.9 . . . . 0.0 112.557 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.11 -38.64 51.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.542 1.137 . . . . 0.0 111.804 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.67 -45.47 94.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.226 0.61 . . . . 0.0 110.95 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 -33.58 75.79 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.84 78.91 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.491 -0.756 . . . . 0.0 112.914 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -29.45 25.83 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -79.51 -40.33 29.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.089 0.955 . . . . 0.0 112.0 169.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.0 -117.05 9.74 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.483 1.04 . . . . 0.0 113.38 174.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -35.93 60.8 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.486 1.514 . . . . 0.0 112.75 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -92.5 12.33 23.28 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.865 1.266 . . . . 0.0 114.333 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.92 147.97 48.8 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.678 -1.263 . . . . 0.0 112.182 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -75.33 151.01 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.554 1.142 . . . . 0.0 113.311 -171.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.67 48.16 2.2 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 112.11 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 167.25 24.94 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.037 1.335 . . . . 0.0 113.113 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.37 174.92 49.67 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.731 1.157 . . . . 0.0 115.001 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.85 -178.07 43.55 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.029 1.299 . . . . 0.0 113.15 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.61 135.74 29.08 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.235 0.922 . . . . 0.0 112.83 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -146.53 4.49 0.9 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -173.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.97 -159.68 53.33 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.165 0.888 . . . . 0.0 113.68 -175.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.89 13.98 78.66 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.518 1.056 . . . . 0.0 115.553 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.47 126.07 41.16 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.827 1.203 . . . . 0.0 112.147 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 m 56.65 15.68 2.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.018 1.727 . . . . 0.0 115.023 -172.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.38 145.69 44.59 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.516 1.055 . . . . 0.0 113.392 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.81 -9.34 69.04 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.157 1.36 . . . . 0.0 115.163 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.59 -150.35 47.78 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 118.81 1.305 . . . . 0.0 114.546 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -153.46 153.78 33.13 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.428 1.491 . . . . 0.0 111.607 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.3 ttp -138.92 39.98 2.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.691 1.596 . . . . 0.0 110.753 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -63.55 151.14 42.27 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.269 1.427 . . . . 0.0 113.139 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -141.91 152.73 62.95 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 126.863 2.065 . . . . 0.0 111.264 -173.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -63.72 145.64 91.28 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.495 2.797 . . . . 0.0 112.807 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -76.39 148.71 37.19 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.204 1.402 . . . . 0.0 112.739 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -78.6 -35.89 45.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.136 0.974 . . . . 0.0 112.464 170.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -155.93 152.35 28.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.841 1.657 . . . . 0.0 110.928 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 55.78 -168.8 0.09 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.155 1.782 . . . . 0.0 113.672 -171.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.75 -25.13 0.1 OUTLIER Glycine 0 CA--C 1.537 1.413 0 O-C-N 120.729 -1.232 . . . . 0.0 114.823 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -59.21 -36.65 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 0.0 113.305 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -66.86 -48.87 67.48 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.796 1.239 . . . . 0.0 112.934 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.5 -29.91 46.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.517 0.727 . . . . 0.0 112.175 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -62.87 -46.86 85.88 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.495 1.043 . . . . 0.0 112.325 173.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -63.4 -47.44 81.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.581 0.753 . . . . 0.0 111.596 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.65 -34.05 75.04 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.67 0.788 . . . . 0.0 112.885 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.4 t -66.18 -27.92 68.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.426 1.49 . . . . 0.0 114.087 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -77.71 -47.3 19.46 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.676 -1.265 . . . . 0.0 110.864 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.45 -39.38 67.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.107 1.363 . . . . 0.0 113.048 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.4 p -69.46 -27.41 65.21 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -83.95 -39.07 20.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.227 1.411 . . . . 0.0 113.575 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.87 149.6 49.22 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.359 1.064 . . . . 0.0 112.756 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.5 t -68.57 160.06 30.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.878 1.271 . . . . 0.0 112.18 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -58.33 -38.14 76.54 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.944 -1.097 . . . . 0.0 112.432 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -60.21 -42.06 94.35 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.25 -0.906 . . . . 0.0 112.497 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.13 -42.2 80.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.794 0.837 . . . . 0.0 112.049 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.02 -44.3 91.71 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.627 1.171 . . . . 0.0 111.54 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.2 mtm -61.78 -45.99 91.49 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.5 84.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.75 -40.14 79.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.013 0.824 . . . . 0.0 111.397 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.31 86.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.428 1.091 . . . . 0.0 112.172 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.18 -44.3 88.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.978 0.808 . . . . 0.0 111.053 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.34 -44.34 97.35 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.946 0.898 . . . . 0.0 113.121 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.26 -23.82 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.57 -37.61 65.47 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.672 1.189 . . . . 0.0 111.707 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.11 -38.19 90.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.044 1.338 . . . . 0.0 112.462 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -85.96 -22.84 27.16 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.1 -32.55 33.81 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.156 1.343 . . . . 0.0 112.659 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.58 -15.84 63.66 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -94.44 -5.39 46.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.697 1.199 . . . . 0.0 114.187 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -76.5 154.99 34.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.834 0.854 . . . . 0.0 112.553 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.369 0 C-N-CA 125.243 1.401 . . . . 0.0 114.061 179.166 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -63.68 -28.32 69.0 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.901 3.067 . . . . 0.0 115.204 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.11 -12.33 12.69 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 125.431 1.491 . . . . 0.0 115.512 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 44.1 p -74.93 136.86 41.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.324 1.45 . . . . 0.0 112.17 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -84.62 -21.46 30.3 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.86 150.18 0.1 OUTLIER Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 127.442 2.297 . . . . 0.0 114.646 -168.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 151.74 69.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.752 2.302 . . . . 0.0 112.899 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 pp -142.0 -16.16 0.77 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.422 1.489 . . . . 0.0 113.398 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -111.65 13.13 21.2 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.744 2.018 . . . . 0.0 112.639 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 13.4 t -65.63 157.35 30.16 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.775 1.23 . . . . 0.0 112.494 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -61.32 -33.83 74.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.341 1.056 . . . . 0.0 112.897 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.22 -40.47 90.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.451 1.101 . . . . 0.0 111.427 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.8 m -65.89 -33.07 75.0 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.985 0.914 . . . . 0.0 112.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -76.24 -44.9 35.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.348 0.522 . . . . 0.0 111.991 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.7 mm -63.52 -31.99 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.358 1.063 . . . . 0.0 112.962 178.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -69.74 -29.18 66.48 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.21 -35.12 11.25 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.524 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.74 178.59 6.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.828 1.251 . . . . 0.0 113.844 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 175.86 8.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.767 1.227 . . . . 0.0 113.145 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -59.19 -29.26 67.34 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -64.86 -33.76 76.77 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 174.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -77.18 -33.47 56.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.632 1.173 . . . . 0.0 111.996 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.06 -49.19 73.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.092 0.557 . . . . 0.0 110.87 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.42 68.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.39 63.76 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.4 -26.96 8.47 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.22 -35.82 58.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.353 1.061 . . . . 0.0 111.831 170.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.18 -129.05 45.42 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.846 0.736 . . . . 0.0 112.439 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.46 -24.61 65.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.674 1.19 . . . . 0.0 113.466 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -84.31 1.85 43.0 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.809 1.244 . . . . 0.0 114.195 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.75 146.06 53.34 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.086 -1.009 . . . . 0.0 111.932 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 tp -62.62 149.64 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.123 0.969 . . . . 0.0 112.571 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.16 5.87 42.65 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.7 31.98 1.64 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.384 1.474 . . . . 0.0 113.658 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -58.9 120.38 22.3 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.005 1.288 . . . . 0.0 112.389 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.12 -6.16 37.26 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.021 1.295 . . . . 0.0 115.438 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -101.97 -17.83 19.53 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.186 1.374 . . . . 0.0 114.682 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 31.0 t -64.82 139.85 58.81 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.813 1.245 . . . . 0.0 113.163 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -85.27 166.59 40.44 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.989 1.28 . . . . 0.0 114.769 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.89 -172.69 46.03 Favored Glycine 0 N--CA 1.477 1.386 0 C-N-CA 124.943 1.259 . . . . 0.0 114.513 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -179.49 117.66 0.57 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.275 0.941 . . . . 0.0 113.456 177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 12.8 t -81.16 137.91 35.9 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.898 1.279 . . . . 0.0 112.304 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.71 152.78 26.54 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.878 0.751 . . . . 0.0 113.612 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.13 152.76 21.81 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.889 0.757 . . . . 0.0 113.101 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 149.71 -52.85 0.52 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.086 1.326 . . . . 0.0 113.128 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 36.0 t -160.34 148.66 16.68 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.95 1.7 . . . . 0.0 110.935 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 88.5 mtp -144.77 148.71 34.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.876 1.67 . . . . 0.0 111.283 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -83.33 -4.24 58.27 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.04 149.24 96.29 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.321 1.448 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.23 154.76 72.92 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.058 2.506 . . . . 0.0 112.817 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 13.0 t -154.49 165.34 36.74 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.171 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 89.1 p -69.67 161.96 28.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.655 1.182 . . . . 0.0 113.116 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -24.59 63.39 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -68.91 123.92 22.31 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.885 -1.135 . . . . 0.0 112.211 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.67 -34.64 18.64 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.769 0.7 . . . . 0.0 114.415 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -64.24 -42.13 96.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.165 0.983 . . . . 0.0 112.206 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -70.63 -41.55 72.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.98 0.912 . . . . 0.0 112.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.39 -43.54 85.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.237 0.615 . . . . 0.0 112.003 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.89 -51.74 63.15 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.237 1.015 . . . . 0.0 112.443 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.58 -47.47 69.68 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.377 0.671 . . . . 0.0 111.895 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -66.47 -36.51 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.166 -0.959 . . . . 0.0 112.39 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 37.8 t -66.96 -41.08 87.51 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.628 0.649 . . . . 0.0 112.081 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.506 -0.746 . . . . 0.0 111.484 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.94 -25.0 66.13 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 43.4 t -68.59 -35.56 77.53 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.833 -1.167 . . . . 0.0 112.424 171.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -70.85 -43.53 68.28 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.778 1.231 . . . . 0.0 113.336 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.09 154.64 40.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.194 1.397 . . . . 0.0 112.739 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 55.1 p -74.6 164.93 26.01 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.891 -1.13 . . . . 0.0 112.783 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -54.07 -43.47 70.3 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.019 -1.05 . . . . 0.0 111.827 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.12 -40.98 99.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.971 0.909 . . . . 0.0 112.151 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.99 -41.24 95.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.557 0.743 . . . . 0.0 112.408 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.3 -41.53 97.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.347 1.059 . . . . 0.0 112.296 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.1 mtm -62.61 -40.88 98.37 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.422 0.556 . . . . 0.0 112.04 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.19 61.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.86 -38.62 91.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.014 0.824 . . . . 0.0 111.643 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.72 82.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.898 0.879 . . . . 0.0 112.384 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.51 -48.22 80.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.129 0.972 . . . . 0.0 110.936 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -55.97 -52.3 64.64 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.839 1.255 . . . . 0.0 113.075 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.34 -23.67 63.8 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -76.78 -40.29 48.68 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.644 1.111 . . . . 0.0 113.001 168.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.55 -36.96 84.28 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.755 0.822 . . . . 0.0 112.086 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -82.23 -28.6 31.84 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -78.67 -29.86 45.89 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.491 1.496 . . . . 0.0 113.526 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.59 -19.38 61.49 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -95.93 -17.01 21.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -97.92 156.78 16.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 C-N-CA 125.593 1.568 . . . . 0.0 112.846 177.934 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.47 -9.83 18.78 Favored 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 124.075 3.183 . . . . 0.0 114.462 -175.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.69 -41.14 2.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.742 1.639 . . . . 0.0 113.756 -176.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.2 p -156.54 164.74 37.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.791 1.636 . . . . 0.0 111.257 170.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -74.53 -17.06 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.92 150.46 97.82 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.907 1.283 . . . . 0.0 113.41 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.41 60.38 6.42 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.742 3.628 . . . . 0.0 111.65 173.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.88 -13.69 47.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -115.32 5.06 14.55 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.194 1.398 . . . . 0.0 113.76 -177.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -70.7 146.29 50.0 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.557 -1.339 . . . . 0.0 113.822 -178.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -65.57 -30.79 71.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.555 1.142 . . . . 0.0 112.868 175.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.71 -35.43 76.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.267 1.027 . . . . 0.0 111.8 -177.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 t -64.91 -38.92 92.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.046 0.938 . . . . 0.0 112.137 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.28 -48.42 61.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.594 -0.691 . . . . 0.0 111.643 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -63.96 -31.79 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.131 1.372 . . . . 0.0 113.225 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -78.69 -20.79 49.32 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.67 -36.45 9.4 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.432 1.015 . . . . 0.0 114.479 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.15 174.86 7.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.183 1.393 . . . . 0.0 113.1 176.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.57 175.72 7.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.218 1.407 . . . . 0.0 113.609 -178.125 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -60.88 -27.11 67.9 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -65.32 -31.82 73.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.903 0.881 . . . . 0.0 113.086 170.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -79.34 -36.41 39.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.289 1.036 . . . . 0.0 111.326 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.23 -47.78 78.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.634 0.773 . . . . 0.0 111.085 174.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.86 71.6 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.145 -0.972 . . . . 0.0 112.957 176.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.98 -19.33 63.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.44 -28.03 8.74 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.53 1.059 . . . . 0.0 113.744 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.57 -39.67 64.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.89 1.276 . . . . 0.0 112.097 171.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.82 -124.83 36.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.661 1.124 . . . . 0.0 112.527 172.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.12 -32.51 69.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.775 1.23 . . . . 0.0 113.496 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.2 6.2 30.61 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.19 157.81 1.76 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.707 1.603 . . . . 0.0 114.418 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tp -62.44 142.43 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.057 -1.027 . . . . 0.0 112.749 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -101.16 53.54 0.84 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.762 1.625 . . . . 0.0 109.893 170.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 63.65 160.09 0.09 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.373 2.669 . . . . 0.0 115.45 -176.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.3 174.45 41.11 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.646 1.117 . . . . 0.0 114.008 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.65 -168.28 39.78 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.115 1.34 . . . . 0.0 116.178 174.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.26 44.3 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.483 1.516 . . . . 0.0 113.33 -177.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 t 57.92 -165.06 0.17 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.747 1.619 . . . . 0.0 113.95 -178.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.94 -15.46 80.99 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.961 1.267 . . . . 0.0 115.773 -176.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.33 115.62 0.58 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.641 1.591 . . . . 0.0 112.125 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.77 -6.08 14.21 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 124.952 1.263 . . . . 0.0 114.768 -172.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p -74.74 -6.64 50.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.745 2.018 . . . . 0.0 114.827 -178.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.59 -9.8 74.69 Favored Glycine 0 CA--C 1.543 1.837 0 C-N-CA 124.508 1.052 . . . . 0.0 115.426 176.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.54 158.56 26.67 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.179 1.371 . . . . 0.0 116.352 168.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.86 178.52 42.22 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.262 1.887 . . . . 0.0 112.728 -177.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.8 p -123.64 -7.67 7.98 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -177.483 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 75.6 mtp 59.61 -27.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.46 3.104 . . . . 0.0 118.314 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -74.17 139.23 44.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.584 1.554 . . . . 0.0 112.016 -175.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -135.13 145.29 53.63 Favored Pre-proline 0 N--CA 1.482 1.133 0 C-N-CA 125.159 1.384 . . . . 0.0 112.099 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.86 151.87 73.89 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.431 2.754 . . . . 0.0 111.853 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.6 p 59.24 4.59 0.48 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.663 2.385 . . . . 0.0 117.312 175.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -67.34 141.39 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.032 -1.042 . . . . 0.0 112.493 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -159.29 -36.85 0.06 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -65.8 -32.63 74.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.24 1.016 . . . . 0.0 113.544 -174.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.98 -47.54 3.84 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 126.533 2.016 . . . . 0.0 114.698 168.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -61.51 -38.26 86.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.052 0.926 . . . . 0.0 112.596 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.91 -39.64 83.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.157 1.383 . . . . 0.0 112.772 177.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.29 -44.68 78.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 111.301 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.83 -45.6 88.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.011 0.925 . . . . 0.0 112.563 176.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.71 -50.77 71.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.962 0.905 . . . . 0.0 111.488 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.64 -39.65 85.06 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.858 0.863 . . . . 0.0 112.267 176.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.2 m -66.86 -26.69 67.02 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -78.94 -50.55 10.99 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.238 0.926 . . . . 0.0 111.184 170.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.45 -27.82 67.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -67.87 -41.23 83.15 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.861 1.21 . . . . 0.0 113.323 173.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -81.01 -28.41 35.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.12 145.87 49.45 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.964 0.802 . . . . 0.0 112.114 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.8 t -64.79 152.87 41.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 176.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -57.14 -31.55 65.46 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.943 -1.098 . . . . 0.0 111.991 173.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.91 -42.66 97.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.741 0.816 . . . . 0.0 112.267 172.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.89 -36.73 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.858 0.863 . . . . 0.0 112.163 173.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.56 -43.76 98.01 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.203 0.911 . . . . 0.0 112.793 173.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 50.7 mtm -59.3 -43.97 92.58 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.507 0.594 . . . . 0.0 111.7 172.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.02 63.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.34 -42.39 98.93 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.545 1.066 . . . . 0.0 111.818 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.81 89.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.675 0.79 . . . . 0.0 111.245 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.02 -51.64 63.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.241 1.016 . . . . 0.0 111.159 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -56.34 -52.25 65.24 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.865 0.757 . . . . 0.0 112.714 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.06 -24.46 65.07 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -77.74 -45.08 25.73 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.811 0.844 . . . . 0.0 112.233 168.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -64.64 -34.59 78.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.922 0.889 . . . . 0.0 112.358 -175.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -78.07 -31.12 50.04 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 174.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -76.65 -32.64 58.11 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.772 1.624 . . . . 0.0 112.997 -175.108 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.36 -12.19 61.3 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -103.66 4.08 35.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.152 1.381 . . . . 0.0 114.027 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -78.32 -1.56 33.81 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 C-N-CA 126.951 2.215 . . . . 0.0 113.063 -179.173 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.11 151.13 72.78 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.565 2.844 . . . . 0.0 112.943 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.32 147.34 35.78 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.2 0.905 . . . . 0.0 113.097 174.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 95.8 p -76.55 151.52 36.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.943 0.897 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.25 -18.65 38.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.687 1.195 . . . . 0.0 114.159 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.71 145.31 0.08 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 128.592 2.757 . . . . 0.0 115.248 -170.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.71 88.53 1.41 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.744 2.963 . . . . 0.0 111.715 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.45 -18.7 58.66 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -108.53 -2.66 18.73 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -171.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -71.42 144.75 49.67 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.115 -0.991 . . . . 0.0 113.59 -175.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -55.83 -29.14 59.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.015 1.326 . . . . 0.0 113.005 170.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -29.37 70.09 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.219 -0.926 . . . . 0.0 112.486 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 -38.84 27.7 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.804 1.242 . . . . 0.0 112.06 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.93 -42.73 99.44 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.137 0.975 . . . . 0.0 111.979 176.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.6 mm -66.77 -24.82 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 124.755 1.222 . . . . 0.0 113.543 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.04 -25.04 34.97 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 167.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.84 -32.35 45.64 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.264 -0.898 . . . . 0.0 114.708 -178.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.68 -178.94 4.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.973 1.709 . . . . 0.0 113.544 175.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 173.28 11.07 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.003 1.321 . . . . 0.0 113.388 176.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -59.53 -28.2 66.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.68 -31.39 72.03 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.35 -35.68 63.6 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.385 1.074 . . . . 0.0 112.031 173.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.52 -46.07 81.05 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.741 0.816 . . . . 0.0 110.694 172.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.86 70.28 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.24 -0.913 . . . . 0.0 112.866 175.204 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.21 -17.12 63.75 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 177.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.81 -28.56 6.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.627 1.171 . . . . 0.0 114.132 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.47 -38.94 65.26 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.51 1.124 . . . . 0.0 111.429 169.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.16 35.05 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.444 1.021 . . . . 0.0 113.244 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -61.88 -21.83 65.03 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.92 6.25 42.84 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.283 1.833 . . . . 0.0 113.069 177.606 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.99 147.0 40.54 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.161 -0.962 . . . . 0.0 112.093 173.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . 0.405 HG13 ' H ' ' B' ' 135' ' ' GLY . 6.6 tp -63.11 157.2 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -168.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 56.8 mmt-85 -118.01 54.46 0.92 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.011 2.124 . . . . 0.0 111.631 174.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.04 26.42 16.37 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.188 1.795 . . . . 0.0 114.621 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . 0.405 ' H ' HG13 ' B' ' 132' ' ' ILE . . . -80.29 0.42 84.37 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 126.495 1.998 . . . . 0.0 116.193 -178.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -73.35 172.66 49.98 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-N 119.065 1.433 . . . . 0.0 115.206 -176.532 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -166.48 154.13 24.42 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.172 0.892 . . . . 0.0 113.988 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 34.5 t -75.64 148.75 38.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.758 1.223 . . . . 0.0 111.682 174.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.83 -178.55 34.91 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.154 -0.966 . . . . 0.0 114.426 -177.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.05 32.89 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.246 0.927 . . . . 0.0 113.372 -175.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -57.91 130.27 50.76 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.825 1.202 . . . . 0.0 114.061 -175.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 15.8 m -65.62 -23.99 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.047 1.339 . . . . 0.0 114.492 -171.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.98 28.91 0.91 Allowed Glycine 0 CA--C 1.537 1.445 0 C-N-CA 125.737 1.636 . . . . 0.0 113.435 179.502 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -67.86 152.5 52.58 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.697 1.141 . . . . 0.0 114.328 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.49 170.76 40.99 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.113 1.34 . . . . 0.0 112.628 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 70.7 m -71.59 141.83 50.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.661 0.784 . . . . 0.0 112.794 179.572 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.1 165.16 24.87 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.057 1.343 . . . . 0.0 112.014 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -73.59 -7.4 51.77 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 170.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.24 161.31 79.06 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 126.784 2.034 . . . . 0.0 112.435 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -57.15 154.66 32.74 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.296 2.664 . . . . 0.0 114.669 175.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 7.5 t -68.97 167.11 16.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.078 1.351 . . . . 0.0 113.091 176.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -141.7 139.46 32.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.588 1.555 . . . . 0.0 112.026 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.7 t -65.75 -25.07 67.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.945 1.298 . . . . 0.0 113.103 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -69.69 -11.0 60.51 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -178.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.46 -0.7 18.41 Favored Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.845 1.688 . . . . 0.0 116.659 -174.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -55.51 -36.45 66.72 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.481 1.64 . . . . 0.0 112.408 175.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.27 -36.81 74.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.05 0.94 . . . . 0.0 113.124 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.34 -42.67 74.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.998 0.919 . . . . 0.0 111.209 177.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -65.17 -40.57 94.49 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.89 -52.05 47.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.56 1.144 . . . . 0.0 111.594 177.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.87 -37.01 82.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.54 0.736 . . . . 0.0 112.746 176.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.3 t -58.0 -43.86 86.88 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.05 0.94 . . . . 0.0 111.931 176.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -72.0 -47.03 54.88 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.106 -0.996 . . . . 0.0 111.839 176.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.03 -37.57 83.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.766 0.827 . . . . 0.0 112.718 -178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 98.8 p -66.54 -29.45 69.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -91.31 -30.88 16.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.473 1.509 . . . . 0.0 114.222 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.17 157.72 24.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.81 1.244 . . . . 0.0 112.807 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 153.82 42.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.994 0.918 . . . . 0.0 112.528 177.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -54.46 -36.8 64.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.23 1.412 . . . . 0.0 111.949 167.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -68.09 -43.73 77.85 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.63 -0.669 . . . . 0.0 112.265 174.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.67 -37.09 86.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.287 1.035 . . . . 0.0 112.352 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.34 -43.05 96.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.653 1.181 . . . . 0.0 113.026 175.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.3 -46.45 88.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.857 1.208 . . . . 0.0 111.534 172.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.69 -44.16 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.56 -40.68 96.01 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.088 0.858 . . . . 0.0 111.059 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.33 88.49 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.501 178.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.71 -47.37 84.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.525 0.73 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.47 -49.72 76.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.655 0.782 . . . . 0.0 112.665 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.96 -23.19 60.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -76.76 -34.95 58.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.974 0.91 . . . . 0.0 112.099 172.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -69.32 -35.88 76.4 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.779 0.831 . . . . 0.0 113.063 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -79.67 -36.8 37.16 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.76 -32.21 72.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.77 1.168 . . . . 0.0 113.236 -174.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.3 -9.19 58.36 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -112.24 -3.67 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.77 1.228 . . . . 0.0 114.273 177.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -75.45 153.24 37.72 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.22 0.918 . . . . 0.0 112.541 172.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.49 -1.172 . . . . 0.0 112.716 178.336 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 CA-C-O 119.625 -0.542 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.4 160.57 49.08 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 124.039 3.159 . . . . 0.0 113.156 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.29 169.88 50.93 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.343 0.973 . . . . 0.0 114.09 172.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -153.56 149.57 27.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.173 1.389 . . . . 0.0 112.304 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -72.58 -12.39 61.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.096 1.358 . . . . 0.0 113.49 171.63 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.68 146.24 0.09 OUTLIER Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.97 2.508 . . . . 0.0 112.992 -161.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.81 117.46 5.16 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.67 2.247 . . . . 0.0 113.252 -168.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.48 -18.76 58.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.575 1.15 . . . . 0.0 112.414 164.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -68.44 -13.94 62.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.313 1.445 . . . . 0.0 113.975 -171.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.0 p -58.22 -40.26 81.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.083 0.953 . . . . 0.0 113.141 -177.073 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -76.56 -36.01 57.88 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.673 0.789 . . . . 0.0 112.83 176.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.36 -43.25 98.19 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.113 175.137 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -63.46 -31.79 73.04 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.275 1.03 . . . . 0.0 112.997 175.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.64 -47.46 69.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.041 -1.037 . . . . 0.0 111.538 173.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -66.35 -32.48 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.878 1.271 . . . . 0.0 112.777 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.33 -25.27 61.49 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.975 -1.078 . . . . 0.0 113.176 171.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.3 -37.46 8.98 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.806 1.193 . . . . 0.0 115.49 -176.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.69 169.95 13.35 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.349 175.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 172.7 7.01 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.668 1.187 . . . . 0.0 113.835 -177.427 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -62.65 -24.21 67.5 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -177.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.49 -32.74 74.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.942 0.792 . . . . 0.0 112.63 169.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.53 -38.84 54.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.094 0.958 . . . . 0.0 111.207 174.086 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.31 -46.33 89.23 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 111.428 174.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.93 74.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.373 -0.829 . . . . 0.0 113.08 176.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -35.45 79.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 176.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.29 -27.91 16.53 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -177.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.99 -40.27 39.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.65 1.18 . . . . 0.0 112.527 171.241 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 -122.59 30.37 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.167 0.889 . . . . 0.0 112.876 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -60.24 -30.53 69.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -83.86 3.87 31.89 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.744 1.218 . . . . 0.0 113.077 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -57.68 147.28 28.09 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.783 0.833 . . . . 0.0 113.206 177.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tp -63.37 154.73 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.56 1.144 . . . . 0.0 112.988 -173.571 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.31 -6.58 44.07 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -174.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.52 -18.06 61.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.89 1.276 . . . . 0.0 113.67 171.387 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 -178.56 48.47 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.925 1.25 . . . . 0.0 114.136 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.34 160.66 54.13 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.18 0.895 . . . . 0.0 113.656 174.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.07 173.56 45.67 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.784 -0.833 . . . . 0.0 114.346 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -146.06 19.13 1.42 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.223 1.409 . . . . 0.0 113.772 -174.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.01 157.82 45.84 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.698 1.142 . . . . 0.0 114.483 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.07 -167.08 36.04 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.955 1.264 . . . . 0.0 113.508 -177.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.13 -169.66 37.22 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.548 1.07 . . . . 0.0 114.033 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -151.68 145.19 24.87 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.824 1.249 . . . . 0.0 112.266 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.25 166.25 28.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.007 1.289 . . . . 0.0 113.538 179.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.68 -179.4 49.64 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.455 1.026 . . . . 0.0 114.284 175.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.01 164.32 35.61 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.54 1.067 . . . . 0.0 113.788 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -71.04 146.82 49.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 112.536 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.4 ttt -151.2 150.4 30.56 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.447 1.499 . . . . 0.0 111.504 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -130.29 164.29 24.93 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.021 1.728 . . . . 0.0 111.571 174.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -67.97 145.37 97.77 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 124.206 1.002 . . . . 0.0 112.305 -175.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -66.81 158.93 53.9 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.484 2.789 . . . . 0.0 112.457 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -134.57 153.86 51.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.701 1.601 . . . . 0.0 111.78 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 t -65.17 120.85 13.47 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.682 0.793 . . . . 0.0 111.281 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -163.52 171.8 15.34 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.787 1.635 . . . . 0.0 111.424 -176.663 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -71.64 -18.33 62.2 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.76 0.824 . . . . 0.0 112.916 174.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.71 -32.96 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 127.003 2.239 . . . . 0.0 116.396 167.008 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -60.28 -45.14 94.36 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.509 1.155 . . . . 0.0 112.962 -168.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -36.77 85.41 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.191 0.996 . . . . 0.0 113.243 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -73.11 -48.22 37.55 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.238 1.015 . . . . 0.0 111.651 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.12 -46.43 90.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.754 0.822 . . . . 0.0 111.436 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.14 -56.13 24.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.262 1.025 . . . . 0.0 111.557 -179.536 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.4 -39.03 85.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.667 0.667 . . . . 0.0 112.559 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.1 m -64.67 -47.46 78.34 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.784 -0.573 . . . . 0.0 112.268 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -70.41 -41.02 73.51 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.284 0.947 . . . . 0.0 113.027 178.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.47 -30.9 65.43 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.735 1.152 . . . . 0.0 112.246 178.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -66.63 -33.35 75.47 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.368 -0.832 . . . . 0.0 113.143 174.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.12 -23.86 21.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.884 1.274 . . . . 0.0 113.712 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.3 153.16 35.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.826 0.851 . . . . 0.0 111.374 171.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -66.79 153.83 42.36 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.486 1.115 . . . . 0.0 112.417 175.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.84 -34.11 39.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.685 1.594 . . . . 0.0 111.96 166.339 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -70.07 -44.28 69.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.742 1.217 . . . . 0.0 112.738 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.97 -35.96 81.13 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.201 1.0 . . . . 0.0 112.515 176.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.68 -45.91 90.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.967 0.907 . . . . 0.0 112.02 174.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.0 mtm -60.06 -44.27 94.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 171.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.96 76.14 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -35.84 78.67 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.367 -0.833 . . . . 0.0 111.943 178.32 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.0 89.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.706 0.802 . . . . 0.0 112.292 174.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.96 -40.7 97.01 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.308 -0.87 . . . . 0.0 111.052 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -56.53 -53.15 60.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.145 0.978 . . . . 0.0 112.832 172.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.34 -22.84 62.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.58 -36.66 63.05 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.849 1.26 . . . . 0.0 112.477 171.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.8 -32.69 72.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.459 1.104 . . . . 0.0 113.044 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -87.55 -31.94 19.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.06 -23.72 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.687 -1.258 . . . . 0.0 113.619 -176.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 pp -80.48 -16.09 55.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.805 1.242 . . . . 0.0 114.132 176.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -82.46 -45.04 15.26 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.511 0.724 . . . . 0.0 111.165 179.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.68 152.84 44.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.658 1.183 . . . . 0.0 112.595 178.632 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 C-N-CA 125.444 1.497 . . . . 0.0 113.934 179.622 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.44 -32.1 16.35 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.18 2.586 . . . . 0.0 113.25 -178.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.01 155.39 24.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.032 1.301 . . . . 0.0 113.123 171.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 36.1 m -80.24 52.27 1.55 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.748 1.619 . . . . 0.0 113.196 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 59.72 151.25 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 127.864 2.466 . . . . 0.0 114.337 -169.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.55 145.49 76.57 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.738 2.292 . . . . 0.0 112.398 175.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -150.76 -24.26 0.22 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.391 1.476 . . . . 0.0 113.123 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -92.15 -0.29 57.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.164 1.786 . . . . 0.0 113.211 173.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 22.6 p -64.59 129.88 41.52 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.32 1.448 . . . . 0.0 111.756 176.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -67.09 -44.99 78.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.22 1.408 . . . . 0.0 112.69 -167.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -43.31 98.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.385 0.674 . . . . 0.0 111.248 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 21.9 m -66.39 -35.8 81.23 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.789 0.836 . . . . 0.0 112.618 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.96 -50.13 69.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.596 0.759 . . . . 0.0 111.679 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.69 -28.35 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.98 1.312 . . . . 0.0 113.161 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -76.15 -28.16 57.27 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.009 -1.057 . . . . 0.0 113.261 170.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.42 -38.0 26.17 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.42 1.009 . . . . 0.0 114.441 -177.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.55 175.15 7.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.505 1.522 . . . . 0.0 113.234 175.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 173.79 7.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.918 1.287 . . . . 0.0 113.561 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.53 -28.14 68.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -66.7 -35.36 79.95 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.294 1.038 . . . . 0.0 112.144 173.469 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.73 -37.14 67.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.755 0.822 . . . . 0.0 111.733 173.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.65 -46.94 87.6 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.627 -0.671 . . . . 0.0 110.995 172.153 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.24 -32.4 72.19 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.148 0.885 . . . . 0.0 113.323 175.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.09 78.94 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 175.105 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.15 -30.5 15.92 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -177.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.67 -36.64 57.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.85 1.26 . . . . 0.0 111.573 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.08 -130.0 38.38 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.352 0.977 . . . . 0.0 112.615 177.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.4 -23.62 66.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.36 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -80.81 1.24 31.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -58.13 145.21 37.66 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.262 -0.899 . . . . 0.0 111.547 173.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.8 tp -64.86 147.85 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.035 0.934 . . . . 0.0 113.397 -166.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -111.01 20.67 17.24 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.69 1.596 . . . . 0.0 112.821 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -118.89 10.24 12.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.272 1.829 . . . . 0.0 113.643 -173.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 86.27 110.72 0.81 Allowed Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.468 1.509 . . . . 0.0 111.335 -169.569 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -78.64 171.77 55.16 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.953 0.787 . . . . 0.0 114.736 -178.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.9 -160.06 53.94 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 124.397 0.998 . . . . 0.0 115.157 174.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 87.9 p -80.92 10.65 4.78 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.227 1.811 . . . . 0.0 115.588 -172.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.52 150.58 34.16 Favored Glycine 0 CA--C 1.539 1.547 0 O-C-N 120.994 -1.066 . . . . 0.0 114.615 -177.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 88.1 -13.37 61.65 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.253 1.406 . . . . 0.0 115.355 -177.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 69.72 -170.09 43.82 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 118.825 1.312 . . . . 0.0 115.347 176.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.9 t -158.55 144.89 17.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 111.963 -178.246 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.66 -164.05 37.07 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.853 1.216 . . . . 0.0 113.508 177.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.82 -128.83 9.0 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.581 1.086 . . . . 0.0 114.227 174.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -63.87 -14.48 55.68 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.836 1.495 . . . . 0.0 116.836 -166.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 61.1 p -66.27 -13.65 60.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.99 1.395 . . . . 0.0 114.578 175.457 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 59.5 ttm -67.19 -35.23 79.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.048 0.939 . . . . 0.0 112.668 171.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.19 150.57 33.51 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.071 0.948 . . . . 0.0 110.924 171.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 149.14 39.82 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 124.589 1.156 . . . . 0.0 113.146 -176.454 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.28 172.3 12.42 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.148 3.232 . . . . 0.0 112.986 174.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 66.0 p -74.42 -0.21 16.63 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -177.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 32.9 t -146.86 150.22 34.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.603 1.561 . . . . 0.0 112.178 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 41.9 t -154.64 141.55 19.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.064 1.746 . . . . 0.0 110.962 -174.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -112.7 131.01 55.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.242 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.76 -35.71 92.37 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 -164.714 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -79.13 -33.65 44.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.796 0.838 . . . . 0.0 112.57 175.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.6 -59.24 2.82 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.364 1.465 . . . . 0.0 111.725 -168.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.08 -31.42 69.01 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -174.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.38 -46.79 72.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 112.379 174.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.13 -43.7 73.84 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.13 0.972 . . . . 0.0 111.79 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.09 -39.54 92.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.817 0.847 . . . . 0.0 112.114 175.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.6 t -62.44 -51.28 68.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.204 0.601 . . . . 0.0 111.004 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -57.24 -45.77 83.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.606 0.762 . . . . 0.0 112.371 -179.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.33 -19.15 62.34 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 25.9 t -73.66 -43.33 59.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.156 -1.59 . . . . 0.0 110.968 166.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -71.52 -38.98 71.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.391 1.876 . . . . 0.0 114.58 -177.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.09 157.13 35.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.428 1.091 . . . . 0.0 112.393 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 20.2 m -72.16 152.33 42.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.242 1.017 . . . . 0.0 111.672 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.34 -30.38 66.67 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.777 -1.202 . . . . 0.0 113.345 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -65.73 -41.25 92.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.751 1.22 . . . . 0.0 112.583 171.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.24 -40.15 82.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.501 1.12 . . . . 0.0 111.824 176.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.11 -45.81 79.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.366 1.066 . . . . 0.0 112.236 172.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 60.5 mtm -62.29 -43.42 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.678 0.672 . . . . 0.0 112.279 174.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.09 69.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.47 -38.17 86.72 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.62 78.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.872 0.869 . . . . 0.0 112.769 177.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -48.38 59.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.635 0.774 . . . . 0.0 110.251 174.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.2 -49.31 78.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.18 -27.4 67.98 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -80.35 -32.82 37.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.626 1.57 . . . . 0.0 112.672 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.36 -38.35 63.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.923 0.889 . . . . 0.0 112.449 176.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -77.88 -28.84 50.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.23 -26.76 61.25 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.023 -1.048 . . . . 0.0 113.562 -175.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.1 pp -83.57 -11.88 56.82 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -103.25 -16.03 15.8 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -93.43 160.94 14.58 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.401 1.081 . . . . 0.0 113.153 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.363 0 C-N-CA 125.387 1.47 . . . . 0.0 113.186 -175.607 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.12 142.45 97.03 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.512 2.808 . . . . 0.0 113.554 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.3 12.83 79.92 Favored Glycine 0 CA--C 1.54 1.623 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 143.83 57.27 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.164 1.482 . . . . 0.0 112.455 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -78.84 -11.2 59.98 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.3 150.4 0.11 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 128.314 2.646 . . . . 0.0 115.206 -176.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.22 161.49 44.37 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.351 2.701 . . . . 0.0 113.089 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.99 -18.0 8.9 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.238 1.415 . . . . 0.0 113.485 173.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -70.3 -10.07 57.88 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.943 -1.098 . . . . 0.0 113.421 178.048 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -65.31 -24.3 67.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.202 1.401 . . . . 0.0 112.441 166.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.51 -33.75 64.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.857 -1.152 . . . . 0.0 112.659 175.349 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.68 -41.57 99.17 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.248 -0.907 . . . . 0.0 110.531 170.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -66.91 -33.41 75.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.018 0.927 . . . . 0.0 112.796 175.674 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.49 -47.9 68.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.856 0.862 . . . . 0.0 112.085 173.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -65.14 -31.13 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.807 1.243 . . . . 0.0 112.628 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.34 -28.21 67.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.435 1.094 . . . . 0.0 113.687 168.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.12 52.72 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.464 1.031 . . . . 0.0 115.479 -174.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -101.04 -179.1 3.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.762 1.625 . . . . 0.0 114.239 -174.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.8 175.22 8.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.334 1.454 . . . . 0.0 113.097 -176.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.85 -29.79 67.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -171.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.96 -32.1 73.12 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.669 -0.644 . . . . 0.0 112.624 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -79.78 -27.66 40.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 112.013 175.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.33 -48.16 62.26 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 111.065 169.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.66 67.09 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 0.0 113.258 177.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -17.41 64.45 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -121.65 -25.78 5.03 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.3 -36.34 74.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.786 1.234 . . . . 0.0 112.128 171.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.52 -123.09 29.08 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.915 1.245 . . . . 0.0 114.009 171.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.0 -25.08 67.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.392 1.477 . . . . 0.0 113.168 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -97.51 12.64 32.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.451 1.5 . . . . 0.0 113.672 179.135 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.27 149.54 28.41 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.263 -0.898 . . . . 0.0 111.514 169.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp -58.99 151.23 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 113.161 -173.26 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -108.67 18.08 21.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.545 1.138 . . . . 0.0 113.92 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -148.77 159.2 44.36 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.029 1.332 . . . . 0.0 112.763 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.53 -170.46 44.0 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.994 1.283 . . . . 0.0 114.729 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.85 168.76 34.5 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.087 1.327 . . . . 0.0 113.323 178.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.79 179.98 48.77 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.893 1.235 . . . . 0.0 114.847 -177.56 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -64.19 150.34 45.99 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.598 1.159 . . . . 0.0 112.863 177.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.49 -12.36 77.18 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 124.3 0.952 . . . . 0.0 114.315 169.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.39 145.0 49.24 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 118.598 1.199 . . . . 0.0 113.15 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.49 80.04 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.865 1.222 . . . . 0.0 115.443 -177.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -68.32 151.67 46.56 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 112.4 177.103 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 149.59 49.35 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.172 0.892 . . . . 0.0 114.335 -177.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.77 -169.74 42.83 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.082 1.325 . . . . 0.0 113.418 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.06 -158.55 52.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.443 1.021 . . . . 0.0 114.508 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -67.86 158.29 32.94 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.093 1.357 . . . . 0.0 112.964 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.1 ptp -151.39 173.78 14.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -61.26 160.57 10.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.513 1.125 . . . . 0.0 113.632 177.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -62.16 146.85 91.82 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.208 1.003 . . . . 0.0 111.552 172.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.58 158.45 50.85 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.986 3.124 . . . . 0.0 113.031 -177.231 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -70.07 148.47 48.76 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.74 1.216 . . . . 0.0 112.334 171.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -73.03 -20.13 61.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 m -143.32 145.71 32.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.388 1.075 . . . . 0.0 113.234 -170.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 55.52 28.93 12.49 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 168.009 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.6 -9.46 65.23 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 126.054 1.788 . . . . 0.0 115.944 -172.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -58.18 -38.2 76.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.894 1.347 . . . . 0.0 112.374 -179.119 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -71.43 -41.21 69.79 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.619 1.168 . . . . 0.0 111.623 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.07 -42.5 72.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.61 1.164 . . . . 0.0 112.034 -178.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -63.25 -51.51 65.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.986 0.515 . . . . 0.0 111.675 177.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.76 -43.97 91.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.6 tp -65.73 -40.33 92.06 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.073 -1.017 . . . . 0.0 112.443 176.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -63.06 -43.24 99.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.48 0.712 . . . . 0.0 111.699 173.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -57.66 -47.14 83.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.685 1.194 . . . . 0.0 111.749 174.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.06 -25.51 62.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 p -71.03 -38.06 72.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.372 1.442 . . . . 0.0 112.509 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -65.13 -48.23 74.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.075 2.15 . . . . 0.0 113.012 173.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.66 150.36 48.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 112.656 -175.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.7 t -68.89 158.27 34.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.493 1.517 . . . . 0.0 112.963 177.383 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -50.03 -40.56 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.312 1.445 . . . . 0.0 112.273 170.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -68.08 -39.36 82.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.324 1.05 . . . . 0.0 112.671 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.51 -39.61 81.15 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.938 0.895 . . . . 0.0 112.458 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.97 -40.48 93.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.589 1.156 . . . . 0.0 112.605 173.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 68.6 mtm -60.92 -45.73 93.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.904 0.774 . . . . 0.0 111.957 170.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.65 65.39 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.86 -37.32 86.97 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.43 1.014 . . . . 0.0 111.925 179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.4 72.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.137 0.975 . . . . 0.0 112.037 176.403 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -43.44 98.84 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.568 0.747 . . . . 0.0 110.383 177.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -57.05 -56.98 14.79 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.445 1.098 . . . . 0.0 112.74 174.039 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.47 -27.02 67.47 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -176.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.3 -46.39 60.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.356 1.462 . . . . 0.0 111.831 171.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -68.17 -38.34 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.735 0.814 . . . . 0.0 112.222 -174.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -76.98 -25.7 53.05 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.179 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.72 -35.79 26.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.989 1.268 . . . . 0.0 113.139 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.9 -17.76 62.08 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -174.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -89.54 -6.59 56.21 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -76.61 154.21 34.59 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.215 -0.928 . . . . 0.0 112.281 178.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.361 0 C-N-CA 125.357 1.456 . . . . 0.0 114.143 -178.937 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.475 0 CA-C-O 118.894 -0.948 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.7 154.57 48.24 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.229 3.286 . . . . 0.0 114.635 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.44 175.56 51.2 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.504 1.049 . . . . 0.0 114.125 174.512 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 87.0 p -152.72 166.66 31.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.034 1.334 . . . . 0.0 112.452 178.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.85 -13.11 60.87 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.99 147.56 85.68 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.18 1.392 . . . . 0.0 112.951 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.8 134.0 33.39 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.25 2.633 . . . . 0.0 112.51 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.04 -12.99 36.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.067 1.347 . . . . 0.0 113.79 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -129.03 11.99 6.09 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.43 1.492 . . . . 0.0 114.207 -167.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.4 t -152.63 122.4 6.92 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.22 1.01 . . . . 0.0 111.447 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -27.95 23.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.496 1.118 . . . . 0.0 112.782 173.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -38.38 88.04 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.489 1.041 . . . . 0.0 111.378 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -69.24 -37.55 78.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.654 0.782 . . . . 0.0 112.437 175.365 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.95 -53.45 17.75 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.398 -0.814 . . . . 0.0 112.701 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -61.45 -27.41 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.992 1.717 . . . . 0.0 113.388 -174.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -74.84 -21.85 59.03 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 121.172 -0.955 . . . . 0.0 113.471 172.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.1 -42.77 4.57 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.764 1.173 . . . . 0.0 114.44 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -74.3 163.64 27.57 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 113.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.03 175.14 5.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.561 1.144 . . . . 0.0 113.557 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -58.65 -29.18 66.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -178.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.25 -34.0 76.52 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.318 1.047 . . . . 0.0 112.45 173.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -77.79 -32.13 52.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.696 1.199 . . . . 0.0 111.706 175.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.48 -47.14 77.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.43 0.692 . . . . 0.0 110.869 169.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.22 70.12 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.346 -0.846 . . . . 0.0 113.255 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.14 64.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 pp -119.91 -25.27 5.87 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.02 -34.64 66.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.138 0.975 . . . . 0.0 112.368 170.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.61 -123.9 33.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.893 1.235 . . . . 0.0 113.183 174.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.65 -21.79 65.96 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.77 1.228 . . . . 0.0 113.62 179.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -89.06 1.25 55.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 113.907 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.45 148.74 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.962 -1.086 . . . . 0.0 112.792 178.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.3 tp -66.87 145.36 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 121.243 -0.91 . . . . 0.0 112.765 -174.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -92.65 -3.04 55.59 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 174.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -68.68 151.75 46.27 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.861 1.264 . . . . 0.0 113.374 175.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.04 160.46 46.46 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.304 0.954 . . . . 0.0 113.984 176.504 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.54 156.21 49.44 Favored Glycine 0 CA--C 1.543 1.782 0 C-N-CA 124.523 1.058 . . . . 0.0 113.938 176.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.69 154.07 49.66 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.517 1.056 . . . . 0.0 113.739 177.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -73.21 149.14 43.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.353 1.061 . . . . 0.0 112.3 176.051 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.57 -152.64 52.52 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.297 0.951 . . . . 0.0 114.453 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.33 171.84 44.93 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.772 1.177 . . . . 0.0 113.54 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 179.86 176.75 47.54 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.642 1.115 . . . . 0.0 113.525 -178.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -70.66 153.0 43.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.246 1.419 . . . . 0.0 113.477 177.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.52 -165.18 36.24 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.558 1.075 . . . . 0.0 114.344 176.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 77.48 -158.32 47.15 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.681 1.134 . . . . 0.0 114.364 176.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 82.15 0.07 89.27 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 125.404 1.478 . . . . 0.0 115.374 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 97.1 p -61.88 -22.43 65.54 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -178.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 53.4 tpp -74.72 -23.36 58.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.502 1.121 . . . . 0.0 113.527 177.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -77.87 67.52 3.75 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.119 1.367 . . . . 0.0 113.554 -172.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.7 152.54 30.49 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.823 1.649 . . . . 0.0 112.631 176.109 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.36 155.02 56.13 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.127 2.551 . . . . 0.0 112.143 173.324 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 49.1 p -87.03 154.43 20.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 112.291 170.005 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 50.2 m -145.91 -15.48 0.47 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.942 1.697 . . . . 0.0 113.777 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 9.6 t -148.92 -149.92 0.32 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.348 1.859 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -62.65 146.04 53.12 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.706 -1.247 . . . . 0.0 112.692 174.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.09 -40.61 98.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 123.762 0.696 . . . . 0.0 114.159 -176.515 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -63.03 -38.88 92.95 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.068 0.934 . . . . 0.0 111.651 174.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -72.14 -49.26 37.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.325 1.45 . . . . 0.0 111.056 -175.708 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.41 -36.11 82.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 178.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.05 -55.69 11.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.995 0.816 . . . . 0.0 111.575 173.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -62.75 -45.47 92.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.041 0.936 . . . . 0.0 112.653 -174.603 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.97 -40.33 87.43 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.282 -0.886 . . . . 0.0 112.876 178.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 26.9 t -59.49 -46.8 87.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.913 0.885 . . . . 0.0 111.973 173.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -63.51 -49.6 72.89 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.906 1.683 . . . . 0.0 111.721 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.84 -31.62 72.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.099 0.959 . . . . 0.0 112.736 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 14.3 p -70.36 -30.33 67.24 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.506 1.503 . . . . 0.0 113.589 173.452 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -87.02 -31.99 20.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 113.753 -178.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.27 152.36 45.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.264 1.026 . . . . 0.0 112.764 175.457 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.0 t -69.38 156.57 38.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.355 1.462 . . . . 0.0 112.541 178.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -53.68 -36.74 62.49 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.849 1.26 . . . . 0.0 112.19 169.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -68.94 -43.52 74.91 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.501 0.72 . . . . 0.0 112.486 175.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.82 -41.18 95.96 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.129 0.972 . . . . 0.0 111.576 176.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.66 -45.05 95.59 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.524 1.13 . . . . 0.0 112.319 176.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 69.4 mtm -60.65 -41.05 94.17 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.548 0.613 . . . . 0.0 111.851 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.97 56.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.62 -35.42 80.75 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.034 0.834 . . . . 0.0 111.552 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.02 84.79 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.5 0.72 . . . . 0.0 112.072 173.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.21 -43.41 98.89 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.134 -0.979 . . . . 0.0 111.057 176.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -61.84 -46.07 91.05 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.964 0.906 . . . . 0.0 112.501 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.0 -23.62 63.17 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.32 0.964 . . . . 0.0 113.135 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -76.83 -32.81 57.82 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.376 1.47 . . . . 0.0 113.007 171.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -74.32 -36.16 63.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.717 1.207 . . . . 0.0 112.854 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.09 -28.25 35.31 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -71.54 -29.59 64.93 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.369 0.986 . . . . 0.0 112.979 -176.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.04 -8.97 59.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -107.08 8.89 30.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.851 1.26 . . . . 0.0 113.963 176.001 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.42 155.96 35.99 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.82 1.248 . . . . 0.0 112.641 174.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 CA-C-O 117.748 -1.584 . . . . 0.0 114.293 178.18 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.433 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -69.38 154.54 69.1 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.131 3.221 . . . . 0.0 113.027 178.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.12 167.81 28.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.722 1.153 . . . . 0.0 114.885 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 t 61.23 159.18 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.308 2.243 . . . . 0.0 115.415 -173.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -91.02 -17.51 26.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.821 1.648 . . . . 0.0 113.368 176.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.85 147.8 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 128.88 2.872 . . . . 0.0 115.834 -175.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.7 150.79 51.05 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.263 2.642 . . . . 0.0 112.937 177.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -110.42 -20.44 12.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.38 1.472 . . . . 0.0 112.98 169.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.17 -27.6 65.82 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.552 1.541 . . . . 0.0 112.956 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.8 p -61.03 -28.88 69.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.463 1.505 . . . . 0.0 112.853 176.057 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.25 -39.66 28.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.166 0.894 . . . . 0.0 111.947 177.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.77 -54.2 30.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.072 0.949 . . . . 0.0 110.859 177.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.3 m -67.28 -24.57 65.79 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.58 -51.45 59.63 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.842 0.746 . . . . 0.0 110.867 168.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.66 -30.48 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.12 1.368 . . . . 0.0 112.98 178.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.0 -27.17 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.94 -1.1 . . . . 0.0 113.461 171.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.59 -40.77 5.9 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.466 1.032 . . . . 0.0 115.176 -174.343 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.96 166.29 23.52 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.302 1.441 . . . . 0.0 113.329 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.06 177.15 4.76 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.068 1.747 . . . . 0.0 113.574 -172.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -58.35 -30.61 66.87 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.09 -35.52 80.74 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.149 -0.969 . . . . 0.0 112.578 172.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -77.3 -30.99 54.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.169 0.988 . . . . 0.0 112.497 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.06 -46.79 70.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.724 0.81 . . . . 0.0 110.542 171.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.93 67.6 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.935 0.894 . . . . 0.0 113.068 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -17.52 64.91 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.0 -26.87 5.07 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.29 -34.15 70.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.248 1.019 . . . . 0.0 111.703 168.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.08 -135.74 45.93 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.226 1.394 . . . . 0.0 113.103 175.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.71 -17.6 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.645 1.178 . . . . 0.0 113.304 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -87.87 -0.58 57.16 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.284 1.434 . . . . 0.0 114.024 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.59 145.56 23.03 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.828 1.251 . . . . 0.0 112.869 176.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tp -61.5 141.88 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.898 0.879 . . . . 0.0 112.755 -173.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.71 -10.78 52.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 173.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -80.13 165.62 22.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.366 1.467 . . . . 0.0 113.754 -175.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.74 157.72 29.2 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.291 1.425 . . . . 0.0 112.412 174.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -173.15 40.37 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.194 0.902 . . . . 0.0 114.376 -173.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.69 43.45 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.255 0.931 . . . . 0.0 114.146 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.9 t -157.34 148.2 21.44 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.521 1.528 . . . . 0.0 110.613 178.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.13 171.08 40.31 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 115.074 0.79 . . . . 0.0 115.074 179.087 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.86 -178.53 52.39 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.065 1.316 . . . . 0.0 113.826 174.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.48 108.78 2.6 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.375 0.988 . . . . 0.0 112.924 177.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.4 p -78.58 157.75 28.67 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.733 1.213 . . . . 0.0 113.376 177.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 173.54 152.28 8.75 Favored Glycine 0 CA--C 1.545 1.919 0 C-N-CA 124.985 1.279 . . . . 0.0 112.93 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.95 -167.11 46.36 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 127.507 2.48 . . . . 0.0 115.073 -0.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.62 -149.55 43.58 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.628 1.108 . . . . 0.0 114.355 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 t 65.21 6.37 3.54 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.874 2.07 . . . . 0.0 116.079 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm 53.3 37.77 26.13 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.306 1.842 . . . . 0.0 114.24 173.366 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -62.28 148.28 45.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.661 0.784 . . . . 0.0 113.112 -177.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -93.33 159.33 35.46 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 124.964 1.306 . . . . 0.0 112.239 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -58.37 151.85 57.99 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.273 2.648 . . . . 0.0 113.888 177.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -155.22 154.43 32.2 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.993 1.317 . . . . 0.0 111.697 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -72.63 -20.73 61.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.828 1.251 . . . . 0.0 113.082 176.152 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.2 m -72.0 127.52 32.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.152 0.981 . . . . 0.0 112.092 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 46.73 -115.14 0.57 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.412 1.885 . . . . 0.0 113.877 173.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 -37.54 2.8 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.826 1.679 . . . . 0.0 115.139 172.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -60.29 -36.63 78.31 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.055 . . . . 0.0 112.644 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -85.07 -43.1 14.21 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.878 1.671 . . . . 0.0 112.526 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.15 -46.8 66.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.277 1.031 . . . . 0.0 112.603 -168.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.29 -37.56 74.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.632 -0.667 . . . . 0.0 112.013 176.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.39 -48.13 65.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.581 1.152 . . . . 0.0 111.958 -178.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.91 -35.11 79.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.849 0.86 . . . . 0.0 111.773 177.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.7 m -62.94 -40.23 97.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.505 -0.747 . . . . 0.0 112.243 172.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -71.59 -39.48 70.49 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.092 -1.005 . . . . 0.0 112.175 177.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.93 -21.06 64.23 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 119.49 1.041 . . . . 0.0 112.422 171.742 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.4 t -76.23 -38.31 56.56 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.63 -1.294 . . . . 0.0 112.73 167.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -63.86 -48.88 74.96 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.184 1.394 . . . . 0.0 113.753 174.203 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.45 156.32 39.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.912 1.285 . . . . 0.0 114.071 -167.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -72.75 158.64 35.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.391 1.476 . . . . 0.0 112.787 175.774 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -50.47 -43.39 55.4 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.27 1.428 . . . . 0.0 112.536 175.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -64.64 -36.53 84.56 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.318 1.047 . . . . 0.0 113.341 175.834 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.99 -41.82 73.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.796 0.838 . . . . 0.0 111.345 176.08 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.31 -39.38 92.85 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.908 0.776 . . . . 0.0 112.578 172.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.7 mtm -59.03 -46.47 88.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.213 0.915 . . . . 0.0 111.612 170.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.68 58.0 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -174.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.44 -37.29 85.32 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.676 1.126 . . . . 0.0 111.791 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.49 74.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.877 0.871 . . . . 0.0 112.146 177.474 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -45.41 83.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.918 0.887 . . . . 0.0 110.778 173.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -57.92 -50.94 71.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.78 1.232 . . . . 0.0 112.735 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.94 -27.69 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.825 0.739 . . . . 0.0 112.601 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -78.95 -33.51 45.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.23 1.012 . . . . 0.0 113.206 174.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.64 -38.45 67.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.583 0.753 . . . . 0.0 111.816 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -77.43 -18.33 57.32 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.77 -33.02 31.15 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.853 1.206 . . . . 0.0 112.46 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -82.58 -14.87 54.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.35 -5.16 57.72 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.37 1.068 . . . . 0.0 113.387 175.766 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.77 155.89 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.712 1.205 . . . . 0.0 113.141 178.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 125.629 1.585 . . . . 0.0 113.496 -178.45 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.54 166.02 30.68 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.262 3.308 . . . . 0.0 113.217 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.02 162.68 45.87 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.037 0.827 . . . . 0.0 113.058 169.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.502 1.121 . . . . 0.0 112.45 -174.465 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -68.55 -23.89 64.57 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.594 1.158 . . . . 0.0 112.814 168.2 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.35 158.89 0.11 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 128.373 2.669 . . . . 0.0 115.62 -175.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.64 151.06 83.5 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.148 2.565 . . . . 0.0 113.238 176.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.79 -17.73 58.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.704 0.802 . . . . 0.0 112.851 167.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -85.77 3.94 39.11 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.382 1.873 . . . . 0.0 114.785 -175.47 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 77.6 p -62.07 154.92 25.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.09 0.956 . . . . 0.0 113.175 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -63.01 -40.72 98.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.592 1.157 . . . . 0.0 111.631 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.69 -42.48 95.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.74 0.816 . . . . 0.0 111.091 176.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -63.8 -41.04 97.98 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.323 0.649 . . . . 0.0 111.91 176.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -66.47 -51.86 52.29 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.457 -0.777 . . . . 0.0 112.442 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.67 -29.44 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.218 1.407 . . . . 0.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -71.72 -23.17 61.58 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.81 -1.181 . . . . 0.0 113.208 169.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -89.77 -44.98 4.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.989 1.28 . . . . 0.0 114.491 -177.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.36 169.54 17.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.477 1.111 . . . . 0.0 113.642 178.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.73 177.34 6.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.629 1.172 . . . . 0.0 113.597 -172.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.05 -30.76 66.43 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -170.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -66.25 -34.6 78.38 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.262 -0.899 . . . . 0.0 112.478 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.21 -36.28 58.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.887 1.275 . . . . 0.0 111.476 175.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.8 -48.05 80.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.906 . . . . 0.0 110.795 172.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.62 71.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 113.035 176.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.67 65.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.97 -27.61 11.57 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.24 -35.93 63.88 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.56 1.144 . . . . 0.0 112.192 171.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.9 -133.49 46.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.526 1.06 . . . . 0.0 112.921 173.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.28 -17.91 64.08 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.19 4.09 49.76 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.924 1.289 . . . . 0.0 113.653 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.2 147.19 25.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.113 -0.992 . . . . 0.0 112.769 176.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.9 tp -66.37 145.76 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -97.47 0.34 47.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.828 1.251 . . . . 0.0 113.592 174.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.3 145.11 35.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.554 1.142 . . . . 0.0 112.735 -177.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -107.28 -161.82 21.63 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.787 1.661 . . . . 0.0 113.868 176.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.81 6.07 89.21 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.854 1.216 . . . . 0.0 115.764 174.953 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.72 169.74 52.01 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 118.844 1.322 . . . . 0.0 114.397 175.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -153.56 148.39 26.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.223 1.409 . . . . 0.0 112.064 177.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.06 149.53 44.47 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.873 1.225 . . . . 0.0 113.95 -177.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 177.93 170.31 39.98 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.564 1.078 . . . . 0.0 113.414 179.008 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 173.29 174.7 40.52 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.664 1.126 . . . . 0.0 113.783 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.8 t -155.78 151.49 27.32 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.954 1.302 . . . . 0.0 111.689 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.96 -10.0 80.36 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.301 0.953 . . . . 0.0 114.232 170.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.53 -156.82 53.03 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 118.688 1.244 . . . . 0.0 114.058 -179.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.73 -14.4 0.03 OUTLIER Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.946 1.138 . . . . 0.0 115.946 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 76.0 p -81.1 -6.57 58.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.307 1.443 . . . . 0.0 114.86 175.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 63.6 ttp -62.86 139.5 58.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.714 1.206 . . . . 0.0 112.667 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 57.57 32.22 21.5 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.215 1.406 . . . . 0.0 114.143 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -131.3 153.86 81.78 Favored Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 126.384 1.874 . . . . 0.0 111.3 176.38 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -61.94 156.98 45.96 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.191 2.594 . . . . 0.0 113.964 178.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.3 t -138.28 152.78 48.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.83 1.252 . . . . 0.0 112.045 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 41.4 t -69.48 140.33 54.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.289 1.436 . . . . 0.0 112.849 -173.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.5 p -73.48 -22.84 60.05 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.661 1.184 . . . . 0.0 113.217 170.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -92.78 -13.92 28.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.202 1.401 . . . . 0.0 113.728 176.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.02 2.81 82.91 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.543 1.544 . . . . 0.0 114.339 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 -58.14 -37.29 74.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.368 1.084 . . . . 0.0 112.233 -173.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -28.06 43.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.34 -50.85 8.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.286 1.034 . . . . 0.0 112.672 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -71.33 -41.56 69.67 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.712 -0.618 . . . . 0.0 112.457 -174.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.75 -48.69 79.56 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.573 -0.705 . . . . 0.0 111.606 177.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.74 -32.63 74.4 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.659 -0.651 . . . . 0.0 111.976 176.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 41.5 t -63.7 -39.41 94.24 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.972 0.909 . . . . 0.0 112.964 173.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -65.56 -49.63 68.13 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.744 1.157 . . . . 0.0 110.178 170.296 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.557 1.143 . . . . 0.0 113.337 -174.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.0 p -75.67 -30.89 59.54 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.02 1.282 . . . . 0.0 113.625 171.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -87.24 -33.94 19.13 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.731 1.613 . . . . 0.0 114.452 -176.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.8 150.72 48.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.065 1.346 . . . . 0.0 112.694 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 41.2 t -68.93 155.04 40.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.939 1.296 . . . . 0.0 111.714 174.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.78 -33.72 68.82 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.933 -1.104 . . . . 0.0 112.373 175.29 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -63.08 -42.0 99.54 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.943 0.897 . . . . 0.0 112.52 170.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.78 -40.34 88.14 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.977 0.911 . . . . 0.0 112.235 174.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.11 -42.9 99.66 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.662 0.665 . . . . 0.0 112.254 174.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.2 -46.0 79.62 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.659 0.663 . . . . 0.0 111.843 170.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.82 -42.23 61.19 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -174.56 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -39.28 91.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.337 1.055 . . . . 0.0 112.367 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -46.23 86.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.774 0.829 . . . . 0.0 110.981 175.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -62.19 -46.4 89.11 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.681 0.792 . . . . 0.0 112.942 179.157 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -22.38 63.51 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 177.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.61 -38.48 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.097 0.959 . . . . 0.0 112.322 171.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.33 -31.47 72.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.166 0.987 . . . . 0.0 113.126 -177.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -82.75 -38.06 23.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 0.0 113.061 174.366 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.93 -21.26 62.37 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.27 1.396 . . . . 0.0 113.873 -174.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.25 -6.25 50.58 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 174.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -134.35 -26.33 1.46 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 54.94 15.28 1.11 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 171.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.219 0 C-N-CA 127.683 2.563 . . . . 0.0 113.673 177.183 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.74 160.98 40.19 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.036 3.158 . . . . 0.0 112.599 176.072 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.86 170.58 54.65 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 123.815 0.721 . . . . 0.0 113.295 169.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 m -62.59 141.16 58.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.554 1.141 . . . . 0.0 112.484 178.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -69.18 -35.2 76.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.201 1.0 . . . . 0.0 113.515 -177.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.54 163.42 0.11 Allowed Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 128.075 2.55 . . . . 0.0 115.27 -177.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -64.0 167.26 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.604 2.87 . . . . 0.0 113.859 174.525 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -96.22 -34.89 11.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.337 1.055 . . . . 0.0 112.024 163.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -88.74 55.56 3.42 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.587 2.355 . . . . 0.0 110.167 171.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.2 p -61.49 175.07 0.64 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.346 1.859 . . . . 0.0 113.839 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.08 -27.94 55.63 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.875 1.27 . . . . 0.0 113.803 -177.164 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.06 -39.32 85.58 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.497 1.119 . . . . 0.0 111.847 177.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -64.81 -31.38 72.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.217 1.007 . . . . 0.0 112.731 176.571 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.78 -46.94 23.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.942 0.897 . . . . 0.0 111.605 176.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.06 -32.78 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.892 1.277 . . . . 0.0 112.992 178.684 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.34 -18.18 60.06 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.01 0.924 . . . . 0.0 113.35 171.028 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -39.94 5.9 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.388 1.47 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.14 174.84 8.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.646 1.178 . . . . 0.0 113.534 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.77 177.04 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.92 1.288 . . . . 0.0 113.398 -175.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.29 -30.02 66.3 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.384 1.474 . . . . 0.0 114.305 -172.326 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.89 -32.05 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.999 0.92 . . . . 0.0 112.387 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.97 -39.07 30.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.271 1.028 . . . . 0.0 111.4 173.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.62 -45.31 94.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.306 0.642 . . . . 0.0 111.292 176.255 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.16 73.68 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 176.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.87 77.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.484 0.584 . . . . 0.0 112.535 175.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.4 -30.23 19.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.41 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.36 -38.27 30.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.219 1.007 . . . . 0.0 112.03 171.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.85 -124.15 30.07 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.421 0.534 . . . . 0.0 112.358 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.2 -25.32 66.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.77 1.228 . . . . 0.0 113.242 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -83.82 -0.76 52.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 177.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.25 137.96 58.38 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.146 -0.971 . . . . 0.0 112.292 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp -60.27 147.83 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.12 0.968 . . . . 0.0 112.276 -176.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -87.97 -8.31 55.85 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -73.53 144.43 46.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.793 1.237 . . . . 0.0 113.131 175.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.99 175.31 46.54 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.452 1.025 . . . . 0.0 114.184 174.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.32 71.69 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.306 0.882 . . . . 0.0 115.306 171.055 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.37 -20.81 69.89 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 124.694 1.14 . . . . 0.0 115.641 -175.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.7 t -68.97 130.52 43.01 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.637 1.219 . . . . 0.0 111.809 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.31 -158.64 31.57 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.831 1.205 . . . . 0.0 113.452 -178.169 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.66 -153.18 47.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.129 0.871 . . . . 0.0 114.557 176.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.53 -177.25 54.37 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.248 1.404 . . . . 0.0 114.732 -178.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -158.79 152.17 22.81 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.647 1.579 . . . . 0.0 111.918 -177.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.98 -14.46 80.24 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.293 0.949 . . . . 0.0 114.462 170.417 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.06 17.24 77.04 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 116.086 1.194 . . . . 0.0 116.086 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.6 134.85 38.47 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 118.795 1.297 . . . . 0.0 113.304 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.6 p -75.32 -45.48 39.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.56 1.144 . . . . 0.0 113.853 -173.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.7 tmt? 61.68 155.17 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.611 2.364 . . . . 0.0 114.053 -171.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.09 38.2 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.114 -1.616 . . . . 0.0 113.789 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -70.89 149.8 95.04 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.264 1.826 . . . . 0.0 113.314 -175.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -69.22 161.46 45.78 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.604 2.869 . . . . 0.0 112.601 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -69.11 147.22 51.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.86 1.264 . . . . 0.0 112.233 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.5 m -141.56 145.96 35.73 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.439 1.496 . . . . 0.0 112.066 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.9 m -72.77 152.71 41.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.625 1.17 . . . . 0.0 112.515 177.024 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 58.8 -84.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 127.518 2.327 . . . . 0.0 114.779 176.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.62 -15.49 9.61 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.541 1.543 . . . . 0.0 116.726 173.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -60.41 -42.45 96.02 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.293 1.547 . . . . 0.0 112.685 -177.245 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.09 -38.4 82.28 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.66 1.184 . . . . 0.0 113.057 178.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -68.43 -47.37 67.4 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.637 1.175 . . . . 0.0 111.261 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -60.87 -51.62 68.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.418 1.087 . . . . 0.0 111.516 176.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.36 -53.22 38.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.304 1.042 . . . . 0.0 112.627 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.59 -35.54 81.11 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.506 -0.746 . . . . 0.0 112.264 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -63.72 -47.7 80.04 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.608 -0.683 . . . . 0.0 112.108 177.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -69.34 -37.88 77.9 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.596 1.089 . . . . 0.0 113.509 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.47 -27.96 68.95 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.865 0.757 . . . . 0.0 112.796 176.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -70.42 -29.7 66.38 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.587 1.085 . . . . 0.0 113.508 172.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -81.14 -33.72 32.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.588 1.555 . . . . 0.0 112.818 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.32 149.74 49.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.205 1.402 . . . . 0.0 112.445 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 t -65.27 156.45 31.92 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.852 1.261 . . . . 0.0 112.312 174.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -57.16 -32.38 66.35 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.043 -1.036 . . . . 0.0 112.268 167.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -64.09 -44.81 91.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.354 0.662 . . . . 0.0 111.979 171.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.69 -36.8 76.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.969 0.908 . . . . 0.0 111.928 178.038 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.27 -43.64 98.55 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.501 1.12 . . . . 0.0 112.111 173.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mtm -59.83 -47.21 86.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.241 0.473 . . . . 0.0 111.776 169.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.44 77.76 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.22 -38.91 89.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.058 0.845 . . . . 0.0 111.74 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.24 87.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.587 0.755 . . . . 0.0 111.963 177.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.37 -45.71 89.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.605 0.762 . . . . 0.0 111.206 177.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -61.92 -46.39 89.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.559 0.744 . . . . 0.0 112.582 177.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.53 -25.69 63.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.133 0.879 . . . . 0.0 113.324 177.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.02 -34.16 64.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.601 1.16 . . . . 0.0 112.649 172.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.33 -37.21 74.64 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.396 1.078 . . . . 0.0 112.528 -179.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -81.01 -35.78 31.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -66.4 -30.67 71.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.794 -1.191 . . . . 0.0 112.776 -175.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -77.02 -7.41 55.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.203 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -114.05 -0.03 14.17 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 174.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.7 143.88 55.73 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.216 -0.927 . . . . 0.0 112.121 169.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.313 0 C-N-CA 125.352 1.453 . . . . 0.0 113.851 179.799 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -58.37 145.95 91.8 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 124.177 3.251 . . . . 0.0 113.991 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 148.7 -156.87 27.06 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.231 1.396 . . . . 0.0 112.786 -177.598 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -149.48 144.62 26.42 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.443 1.497 . . . . 0.0 111.427 173.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -79.92 -17.28 53.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.131 1.372 . . . . 0.0 114.058 -179.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.79 153.59 0.11 Allowed Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 127.719 2.407 . . . . 0.0 114.93 -171.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.18 156.94 62.36 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 123.162 2.575 . . . . 0.0 113.887 179.315 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 pp -140.65 -30.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.292 1.837 . . . . 0.0 111.047 165.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -78.48 47.23 0.69 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.809 2.443 . . . . 0.0 112.318 164.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -55.46 168.91 0.33 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.756 2.022 . . . . 0.0 114.152 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -56.03 -36.9 68.52 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.209 1.404 . . . . 0.0 112.599 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.99 -48.49 76.19 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.568 0.747 . . . . 0.0 110.914 176.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -63.73 -31.27 72.4 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 112.864 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -69.33 -53.9 17.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.66 0.784 . . . . 0.0 111.661 173.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.4 mm -60.43 -31.29 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.483 1.513 . . . . 0.0 113.074 177.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -70.42 -21.93 62.78 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.687 1.195 . . . . 0.0 113.579 171.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.87 -42.53 4.09 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.234 1.397 . . . . 0.0 115.085 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.52 173.79 10.53 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.941 1.296 . . . . 0.0 113.828 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.63 178.56 5.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.922 1.289 . . . . 0.0 113.574 -173.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -60.01 -32.08 70.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.868 1.267 . . . . 0.0 114.39 -168.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -66.01 -33.71 76.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.522 0.729 . . . . 0.0 112.368 174.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -76.74 -38.12 54.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.127 174.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.25 -47.79 84.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.968 0.907 . . . . 0.0 110.963 174.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.79 81.68 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.43 84.66 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -32.93 30.97 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.678 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.0 -49.16 48.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.524 1.056 . . . . 0.0 111.169 168.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.86 97.4 0.07 OUTLIER Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.086 1.327 . . . . 0.0 113.02 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 62.3 -27.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 128.379 2.672 . . . . 0.0 116.325 -177.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.77 1.86 32.64 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 113.904 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.72 151.68 10.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.913 1.685 . . . . 0.0 112.278 170.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.5 tp -59.88 147.55 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.229 1.012 . . . . 0.0 113.03 -171.285 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -95.3 -5.54 43.33 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.254 1.022 . . . . 0.0 113.291 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -81.54 154.8 26.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.754 1.622 . . . . 0.0 112.727 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.08 123.1 6.2 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.749 0.69 . . . . 0.0 112.823 173.008 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.17 164.7 10.98 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 125.022 1.296 . . . . 0.0 115.505 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -87.89 177.76 46.55 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.762 1.172 . . . . 0.0 113.98 176.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 90.5 p -118.24 12.19 13.39 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.705 1.602 . . . . 0.0 113.777 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.42 153.71 20.81 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.121 1.344 . . . . 0.0 114.502 -178.562 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.51 -15.25 55.61 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.733 1.635 . . . . 0.0 114.096 166.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.41 -169.21 53.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.298 1.049 . . . . 0.0 114.305 178.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 23.7 m -90.7 -0.98 57.87 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.42 138.2 45.21 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 124.266 0.936 . . . . 0.0 114.179 -175.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 168.86 -163.86 37.56 Favored Glycine 0 CA--C 1.54 1.611 0 O-C-N 121.81 -0.818 . . . . 0.0 114.137 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.22 -169.77 33.77 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.125 1.345 . . . . 0.0 113.377 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 8.4 t 60.3 -174.21 0.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.748 1.619 . . . . 0.0 113.886 -174.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -72.27 -10.29 59.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.029 1.732 . . . . 0.0 114.984 -176.113 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 m120 60.63 -179.82 0.1 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.771 2.029 . . . . 0.0 113.863 -174.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.93 156.54 79.65 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.107 1.363 . . . . 0.0 113.439 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 159.27 23.99 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.49 2.793 . . . . 0.0 114.198 176.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 14.9 t -148.27 153.92 39.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.777 1.231 . . . . 0.0 112.162 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 18.7 t -159.58 -178.43 7.1 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.889 2.076 . . . . 0.0 110.347 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 33.5 t -58.96 -37.75 77.48 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.711 1.204 . . . . 0.0 113.874 -177.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -79.59 -11.12 59.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.107 1.363 . . . . 0.0 114.065 173.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.55 -1.26 21.79 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.98 2.228 . . . . 0.0 116.057 -177.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -57.13 -33.25 67.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.742 1.271 . . . . 0.0 112.314 175.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -61.7 -53.27 58.35 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.886 1.274 . . . . 0.0 111.314 177.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.14 -36.72 80.14 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.709 1.604 . . . . 0.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.07 -55.49 10.61 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.093 -1.004 . . . . 0.0 112.346 174.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.21 -50.75 66.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.139 -175.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.97 -38.85 92.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.174 0.897 . . . . 0.0 112.332 -178.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 34.9 t -67.36 -43.84 80.45 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.74 -44.03 97.7 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.958 -1.089 . . . . 0.0 111.204 174.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.79 -34.24 75.55 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.658 0.783 . . . . 0.0 112.736 174.146 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 t -67.45 -37.77 83.46 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.14 0.882 . . . . 0.0 113.027 171.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -73.62 -26.35 60.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 176.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.63 149.47 38.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.992 1.317 . . . . 0.0 112.507 176.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.4 t -70.81 161.2 31.36 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.981 1.312 . . . . 0.0 112.916 175.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -50.15 -40.91 48.0 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.427 1.491 . . . . 0.0 112.272 169.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.6 -42.64 91.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.426 1.09 . . . . 0.0 112.111 177.349 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -69.22 -37.51 78.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.94 1.296 . . . . 0.0 112.444 175.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.47 -44.09 97.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 174.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.91 -42.17 99.7 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.975 -0.453 . . . . 0.0 111.954 171.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.97 70.21 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.161 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.06 -38.0 89.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.657 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.33 84.8 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.278 1.031 . . . . 0.0 112.188 178.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.45 -46.3 83.73 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.661 0.784 . . . . 0.0 110.984 175.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.86 -48.46 81.62 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.78 -26.24 66.86 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.86 0.754 . . . . 0.0 112.706 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -76.23 -37.27 57.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.48 -36.35 80.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.625 0.77 . . . . 0.0 112.023 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -84.43 -26.32 28.35 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.04 -31.25 58.74 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.358 1.435 . . . . 0.0 113.513 -177.863 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.76 -15.99 62.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -94.28 -0.3 55.13 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.52 1.128 . . . . 0.0 114.0 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -71.18 152.9 42.92 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.133 -0.98 . . . . 0.0 111.848 172.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 117.635 -1.647 . . . . 0.0 114.485 177.49 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.98 -53.13 51.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.968 1.307 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -68.4 -27.42 66.2 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.69 -53.49 21.95 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.805 0.73 . . . . 0.0 112.237 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.4 -30.94 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.613 1.565 . . . . 0.0 113.07 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -70.67 -18.54 62.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.407 1.083 . . . . 0.0 113.7 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.63 -43.27 2.95 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.806 1.193 . . . . 0.0 114.85 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.51 160.16 32.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.85 172.16 7.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.443 1.097 . . . . 0.0 113.789 -171.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -59.71 -29.93 68.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -66.18 -33.04 74.87 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -75.39 -32.97 60.97 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 0.0 111.453 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.24 -46.55 73.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.815 0.846 . . . . 0.0 110.889 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.28 72.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.681 0.793 . . . . 0.0 112.77 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.82 -17.87 64.94 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.6 -25.75 7.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.6 -37.15 56.93 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.152 0.887 . . . . 0.0 112.426 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.43 -124.06 33.79 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.618 1.104 . . . . 0.0 113.768 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -60.21 -31.48 70.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.438 1.095 . . . . 0.0 112.923 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -80.34 1.71 27.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.909 1.284 . . . . 0.0 114.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.17 146.01 49.09 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.003 -1.06 . . . . 0.0 111.196 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 123.651 0.78 . . . . 0.0 112.883 -171.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -77.7 -45.2 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.35 1.46 . . . . 0.0 112.281 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.78 -45.21 68.52 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.882 0.873 . . . . 0.0 112.202 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.35 -40.0 89.53 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.016 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -65.52 -50.76 64.03 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.921 1.289 . . . . 0.0 111.328 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.95 -37.03 85.42 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.63 -0.669 . . . . 0.0 112.003 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 t -62.37 -45.37 93.47 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.024 0.929 . . . . 0.0 112.586 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -61.85 -55.59 28.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.769 0.713 . . . . 0.0 110.971 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.45 -38.08 68.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -59.88 -27.16 66.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -99.56 -5.39 29.24 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.41 153.76 33.32 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 112.405 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -66.87 155.48 38.25 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 110.902 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -58.16 -36.27 72.77 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 120.726 -1.234 . . . . 0.0 112.095 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.18 -41.41 96.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.545 0.612 . . . . 0.0 112.13 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.09 -42.66 80.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.578 1.151 . . . . 0.0 112.226 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.42 -42.96 93.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.192 0.997 . . . . 0.0 112.817 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.84 -42.79 94.64 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.38 72.76 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.38 -37.6 88.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.723 1.147 . . . . 0.0 111.375 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.69 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.153 0.981 . . . . 0.0 112.109 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.82 -44.91 94.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.446 1.098 . . . . 0.0 111.125 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.55 -47.19 87.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.934 0.894 . . . . 0.0 112.935 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.22 -22.51 61.25 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -73.65 -39.61 64.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.777 1.231 . . . . 0.0 112.012 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.48 -36.39 83.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.868 0.867 . . . . 0.0 112.689 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.642 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.76 -45.07 94.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.588 0.755 . . . . 0.0 110.588 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.3 m -62.81 -30.66 71.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.093 0.957 . . . . 0.0 112.927 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -69.5 -49.33 55.64 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.943 0.897 . . . . 0.0 111.916 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.06 -33.93 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.431 1.093 . . . . 0.0 112.407 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.58 -22.67 66.13 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.301 1.041 . . . . 0.0 113.713 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.06 -38.11 5.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.736 1.16 . . . . 0.0 114.957 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.37 174.74 9.85 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.298 1.439 . . . . 0.0 113.564 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 176.39 7.87 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -61.1 -25.04 66.69 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.58 -33.77 76.7 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.553 1.141 . . . . 0.0 112.22 171.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.85 -38.87 31.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.906 1.283 . . . . 0.0 111.821 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.83 -47.94 76.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.407 0.683 . . . . 0.0 111.932 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.02 71.16 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.815 0.734 . . . . 0.0 112.723 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.27 62.71 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.09 -29.57 7.55 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.53 -36.03 52.8 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.374 1.07 . . . . 0.0 112.281 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.75 -121.48 26.0 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.492 1.044 . . . . 0.0 113.095 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -58.25 -38.78 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.372 1.069 . . . . 0.0 112.581 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.84 3.82 21.29 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.67 148.7 37.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.484 -0.76 . . . . 0.0 111.269 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.256 1.022 . . . . 0.0 112.319 -172.505 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -70.75 -37.35 73.43 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.319 1.047 . . . . 0.0 112.063 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -74.66 -40.24 61.57 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.199 0.999 . . . . 0.0 112.153 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -62.94 -49.3 75.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.012 0.925 . . . . 0.0 111.067 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.61 -52.05 29.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.889 0.876 . . . . 0.0 112.934 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.0 -28.2 68.05 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 42.1 t -60.82 -45.69 93.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.749 0.82 . . . . 0.0 112.139 172.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -63.77 -46.85 83.39 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.092 0.957 . . . . 0.0 110.81 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.88 -38.11 75.18 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.252 1.021 . . . . 0.0 112.465 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.2 t -71.1 -40.24 71.63 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.495 1.118 . . . . 0.0 112.947 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -64.33 -38.41 90.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.912 1.285 . . . . 0.0 113.142 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 151.22 41.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.401 1.48 . . . . 0.0 114.327 -173.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.6 t -68.29 160.54 29.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.853 1.661 . . . . 0.0 112.201 170.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.89 -36.43 70.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.406 1.082 . . . . 0.0 112.511 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -61.99 -42.98 99.74 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.797 -0.564 . . . . 0.0 112.139 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -70.54 -36.24 73.58 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.008 0.923 . . . . 0.0 112.649 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.14 -41.38 96.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.433 1.093 . . . . 0.0 111.978 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.95 -42.55 97.28 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.12 81.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -35.84 79.49 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.446 -0.784 . . . . 0.0 112.059 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.41 91.64 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.674 0.789 . . . . 0.0 112.064 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.46 -44.83 89.85 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.695 0.798 . . . . 0.0 110.629 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -56.72 -52.66 64.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.298 1.039 . . . . 0.0 112.943 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.3 -27.13 67.68 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.936 0.789 . . . . 0.0 112.984 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.01 -38.21 57.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.582 1.153 . . . . 0.0 112.474 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.69 -38.85 73.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.852 0.861 . . . . 0.0 112.503 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 179.71 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.25 -26.1 67.2 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.656 0.782 . . . . 0.0 112.647 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.0 t -85.44 -44.33 12.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.438 1.095 . . . . 0.0 111.671 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -64.55 -47.63 78.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.477 1.111 . . . . 0.0 113.013 -176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -67.96 -24.17 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.464 1.506 . . . . 0.0 112.307 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.0 -23.66 33.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.149 0.98 . . . . 0.0 113.526 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 -37.05 25.82 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.565 1.079 . . . . 0.0 114.169 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.72 177.26 6.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.113 1.365 . . . . 0.0 113.35 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.93 176.31 7.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.698 1.199 . . . . 0.0 113.82 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.68 -28.66 67.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.142 1.377 . . . . 0.0 114.266 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.02 -37.22 86.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.425 -0.797 . . . . 0.0 112.176 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -73.62 -38.06 65.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.093 0.957 . . . . 0.0 111.664 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.03 -48.16 83.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.286 0.634 . . . . 0.0 111.083 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.94 77.27 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.921 0.782 . . . . 0.0 112.903 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.92 89.13 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.49 -30.44 18.26 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.137 0.975 . . . . 0.0 112.657 171.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 -124.11 34.22 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.904 0.764 . . . . 0.0 112.504 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -57.87 -33.72 68.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.073 0.949 . . . . 0.0 112.646 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.09 2.13 18.9 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.25 139.75 56.66 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.06 -1.025 . . . . 0.0 111.19 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 tp . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 124.215 1.006 . . . . 0.0 113.038 -170.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -84.75 -39.1 18.86 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.994 1.717 . . . . 0.0 112.309 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -73.23 -48.35 35.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.144 1.778 . . . . 0.0 113.019 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -72.91 -29.27 63.01 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.374 -0.828 . . . . 0.0 112.817 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.9 -52.62 18.94 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.87 1.668 . . . . 0.0 111.189 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.53 -35.67 80.15 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.532 -0.73 . . . . 0.0 112.368 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.1 t -61.34 -33.9 74.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.41 1.084 . . . . 0.0 113.227 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.08 -47.84 26.81 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.85 -1.156 . . . . 0.0 112.072 171.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.04 -29.75 69.91 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -69.84 -27.68 65.06 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.864 1.211 . . . . 0.0 113.313 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -87.44 -36.82 17.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.53 1.532 . . . . 0.0 113.518 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.0 151.12 43.72 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.899 1.28 . . . . 0.0 111.988 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 p -73.27 165.69 24.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.95 0.9 . . . . 0.0 113.368 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.43 -37.41 65.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.287 1.435 . . . . 0.0 112.795 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.98 -44.8 65.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.636 0.774 . . . . 0.0 112.449 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.05 -38.75 91.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.157 0.983 . . . . 0.0 111.856 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.39 -44.73 92.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.4 mtm -62.24 -43.35 99.02 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.672 0.669 . . . . 0.0 112.037 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.94 70.86 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.68 -40.25 95.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.114 0.87 . . . . 0.0 111.099 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.92 87.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.464 1.106 . . . . 0.0 112.401 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.94 -46.71 89.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.789 0.722 . . . . 0.0 110.952 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.42 -49.83 76.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.469 0.708 . . . . 0.0 112.623 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.59 -24.54 61.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -74.76 -38.32 62.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.734 1.213 . . . . 0.0 112.477 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -66.82 -36.47 82.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.453 1.101 . . . . 0.0 112.867 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 178.526 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 111.281 0.104 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.03 -42.99 93.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.136 0.975 . . . . 0.0 111.6 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -62.03 -41.68 98.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.147 0.979 . . . . 0.0 112.018 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.87 -48.07 67.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.748 0.819 . . . . 0.0 112.362 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.404 HD13 HD21 ' B' ' 118' ' ' LEU . 22.0 mm -64.56 -29.61 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.699 1.2 . . . . 0.0 113.041 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.78 -22.26 46.62 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.87 -36.3 11.68 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.714 1.149 . . . . 0.0 114.218 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 115' ' ' ILE . 3.1 pp -75.4 176.19 7.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 0.0 113.51 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.09 174.37 8.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.956 1.302 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.44 -29.08 67.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.98 -34.82 79.34 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.252 1.021 . . . . 0.0 112.885 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.98 -36.8 62.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.052 0.941 . . . . 0.0 111.904 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.42 -47.88 84.16 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.019 0.528 . . . . 0.0 110.678 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.87 75.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.7 66.68 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -28.23 10.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.7 -38.96 37.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.851 1.26 . . . . 0.0 112.483 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.13 -120.41 22.52 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.059 1.314 . . . . 0.0 113.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.52 -29.95 69.44 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.256 1.022 . . . . 0.0 113.288 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -88.93 5.25 44.94 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.8 149.95 29.65 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.044 -1.035 . . . . 0.0 111.838 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.455 HG22 HD21 ' B' ' 170' ' ' ASN . 5.0 tp . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 123.273 0.629 . . . . 0.0 112.376 -172.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -63.43 -52.59 60.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.811 1.244 . . . . 0.0 110.887 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.73 -43.8 98.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.528 1.131 . . . . 0.0 112.524 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -65.48 -48.56 72.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.536 0.734 . . . . 0.0 112.473 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.69 -45.22 79.53 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.409 0.684 . . . . 0.0 111.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.47 -39.21 88.67 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.699 -0.626 . . . . 0.0 112.2 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 44.3 t -63.87 -44.58 92.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.548 0.739 . . . . 0.0 112.385 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -60.17 -45.93 91.42 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.449 -0.782 . . . . 0.0 111.958 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.94 -19.13 63.39 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 44.6 t -71.16 -41.86 69.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.313 -1.492 . . . . 0.0 112.054 166.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -78.16 -36.15 48.0 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.31 153.68 40.43 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.1 0.96 . . . . 0.0 112.933 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 29.7 t -67.34 154.74 40.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.814 1.246 . . . . 0.0 112.201 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -56.09 -35.13 66.68 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.786 -1.196 . . . . 0.0 112.13 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 170' ' ' ASN . . . . . 0.455 HD21 HG22 ' B' ' 132' ' ' ILE . 9.3 m120 -65.81 -38.52 89.2 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.31 -0.869 . . . . 0.0 112.844 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.49 -40.11 77.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.16 -43.75 92.09 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.245 1.418 . . . . 0.0 112.082 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 66.3 mtm -60.02 -46.26 90.07 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.312 0.645 . . . . 0.0 111.56 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.61 67.83 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.33 -38.82 91.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.527 1.058 . . . . 0.0 111.461 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.13 89.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.665 1.186 . . . . 0.0 112.363 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -47.7 68.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.871 0.868 . . . . 0.0 110.863 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -62.25 -46.12 90.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 0.0 112.705 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.83 -28.17 68.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.07 0.85 . . . . 0.0 112.953 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -75.94 -36.14 59.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.168 1.387 . . . . 0.0 112.581 172.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -71.73 -39.59 69.99 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.351 1.06 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.887 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.88 -40.17 96.69 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.544 -1.348 . . . . 0.0 111.285 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -69.48 -33.25 72.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.948 0.899 . . . . 0.0 112.847 174.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -69.31 -47.6 64.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.782 0.833 . . . . 0.0 111.821 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -66.01 -31.18 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.164 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -68.95 -29.32 67.53 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.194 0.998 . . . . 0.0 113.513 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -31.28 10.86 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.56 178.33 4.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.217 1.407 . . . . 0.0 114.309 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 169.75 9.5 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.613 1.165 . . . . 0.0 112.882 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.52 -26.74 67.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -173.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.66 -34.34 77.62 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.238 1.015 . . . . 0.0 112.095 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.72 -34.7 62.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.444 1.097 . . . . 0.0 112.275 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.55 -49.48 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.33 72.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.98 65.34 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.1 -27.29 7.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.97 -39.25 66.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.202 0.91 . . . . 0.0 111.509 168.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.54 -121.97 26.44 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.91 1.243 . . . . 0.0 113.077 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.92 -26.14 65.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.04 1.336 . . . . 0.0 113.742 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -93.24 3.69 55.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.145 1.378 . . . . 0.0 114.374 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -57.12 145.14 32.09 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.961 -1.087 . . . . 0.0 112.552 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -168.634 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -85.8 -44.72 12.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.347 1.459 . . . . 0.0 113.278 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.43 -41.94 99.08 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.503 0.721 . . . . 0.0 112.776 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -71.23 -54.01 12.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.843 0.457 . . . . 0.0 110.771 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.17 -45.02 94.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.48 -34.67 75.86 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.309 -0.869 . . . . 0.0 111.664 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -72.11 -40.78 67.9 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.782 0.833 . . . . 0.0 112.163 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -56.45 -49.82 73.5 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.875 1.216 . . . . 0.0 111.153 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.48 -34.93 78.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.099 0.56 . . . . 0.0 111.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 t -67.65 -32.28 72.86 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -80.74 -26.97 36.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.03 1.332 . . . . 0.0 114.324 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.32 153.02 30.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.176 0.99 . . . . 0.0 112.745 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.1 t -67.16 157.96 32.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.473 1.509 . . . . 0.0 112.671 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -52.97 -36.56 60.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.089 1.356 . . . . 0.0 112.956 170.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.88 -42.62 73.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.189 0.596 . . . . 0.0 112.441 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.02 -37.62 88.21 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.212 1.005 . . . . 0.0 112.602 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.04 -45.2 93.63 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.631 1.572 . . . . 0.0 112.595 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 47.5 mtm -60.42 -43.32 96.85 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.875 -0.516 . . . . 0.0 111.818 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.64 -38.59 91.54 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.902 0.774 . . . . 0.0 111.351 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.78 83.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.625 0.77 . . . . 0.0 111.595 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.36 -42.72 96.06 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 0.0 111.285 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.31 -49.44 77.6 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.722 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.72 -26.03 65.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -72.54 -36.91 68.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.556 1.542 . . . . 0.0 112.845 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.57 -37.18 71.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.436 1.095 . . . . 0.0 112.709 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.77 -43.07 94.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.739 0.816 . . . . 0.0 112.212 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.5 m -70.11 -31.03 68.38 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.868 0.867 . . . . 0.0 112.805 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.44 -47.44 41.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.369 -0.832 . . . . 0.0 111.861 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.91 -26.51 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.445 1.498 . . . . 0.0 113.241 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -15.82 55.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 167.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -48.18 4.93 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.192 0.901 . . . . 0.0 113.515 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.45 156.43 35.27 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.038 1.335 . . . . 0.0 112.839 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 176.08 5.27 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.737 1.215 . . . . 0.0 113.614 -171.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -59.48 -30.64 68.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.8 -31.97 72.94 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.055 0.843 . . . . 0.0 113.168 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.59 -34.78 53.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.395 1.078 . . . . 0.0 111.518 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.74 -47.32 81.52 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.325 0.65 . . . . 0.0 110.863 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.23 71.01 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.922 0.783 . . . . 0.0 113.039 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.97 64.87 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.08 -28.83 8.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.96 -37.34 69.95 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.61 1.164 . . . . 0.0 112.032 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.51 25.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.622 1.106 . . . . 0.0 113.227 172.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.52 -23.5 66.99 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.556 1.143 . . . . 0.0 114.007 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.0 5.08 52.75 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.2 1.4 . . . . 0.0 114.279 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.03 149.13 37.88 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.401 -0.812 . . . . 0.0 112.34 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.477 0.897 0 O-C-N 121.448 -0.783 . . . . 0.0 112.421 -174.334 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -81.81 -63.08 1.46 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.513 1.925 . . . . 0.0 110.781 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.16 -42.44 93.73 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.71 -33.6 72.73 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.902 -1.124 . . . . 0.0 112.293 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -72.74 -52.3 15.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.009 0.924 . . . . 0.0 110.852 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.35 -39.88 94.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.886 0.874 . . . . 0.0 112.752 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 9.7 t -67.94 -41.73 82.06 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.753 0.706 . . . . 0.0 112.06 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -61.89 -42.22 98.82 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.069 0.849 . . . . 0.0 111.99 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.02 -28.29 69.48 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 t -73.17 -39.48 65.6 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.66 1.118 . . . . 0.0 112.615 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -72.89 -33.94 66.35 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.688 1.595 . . . . 0.0 113.815 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.84 151.81 44.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.791 1.636 . . . . 0.0 112.278 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.0 t -78.21 156.59 29.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.501 1.12 . . . . 0.0 111.263 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.54 -37.86 65.9 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.743 -1.223 . . . . 0.0 112.78 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -59.53 -40.99 89.01 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.361 173.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.58 -37.29 79.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 112.136 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.6 -38.88 92.54 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -59.67 -46.53 88.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.282 0.946 . . . . 0.0 111.124 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.99 66.56 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.96 -39.2 93.6 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.164 0.893 . . . . 0.0 111.865 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.71 -42.26 77.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.922 0.889 . . . . 0.0 112.535 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.47 -45.5 93.99 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.216 -0.927 . . . . 0.0 110.693 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -60.82 -48.1 83.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.734 0.814 . . . . 0.0 112.862 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.89 -25.98 64.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.324 0.966 . . . . 0.0 112.658 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -75.08 -33.71 61.69 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.987 1.315 . . . . 0.0 112.889 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.96 -38.32 69.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.089 0.956 . . . . 0.0 112.469 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.849 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.82 -47.11 87.86 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.805 1.184 . . . . 0.0 110.712 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 m -65.83 -34.75 78.86 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 112.658 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -68.32 -47.38 67.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.711 0.804 . . . . 0.0 112.016 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.82 -29.87 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.603 1.161 . . . . 0.0 112.559 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.55 -20.15 57.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.34 -29.34 14.65 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.734 1.159 . . . . 0.0 115.373 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.91 -177.92 4.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.53 1.532 . . . . 0.0 114.138 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.39 171.42 12.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.725 1.21 . . . . 0.0 113.112 175.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -59.75 -27.69 66.72 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -171.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.53 -33.98 77.17 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.907 0.883 . . . . 0.0 112.272 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.12 -38.05 72.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.296 1.038 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.49 -46.83 78.2 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.765 0.826 . . . . 0.0 111.307 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -33.5 70.84 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.71 63.81 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.54 -27.19 8.68 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mp -78.37 -38.36 42.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.497 1.119 . . . . 0.0 112.067 171.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.42 -125.51 39.75 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.785 1.183 . . . . 0.0 113.427 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -59.51 -24.32 63.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.292 1.437 . . . . 0.0 113.498 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -92.53 9.86 32.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.118 1.367 . . . . 0.0 114.144 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -61.32 140.84 57.92 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.819 -1.175 . . . . 0.0 111.293 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.476 0.852 0 O-C-N 121.378 -0.826 . . . . 0.0 113.214 -172.198 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -78.18 -42.54 31.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.829 1.652 . . . . 0.0 112.694 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -71.51 -47.94 52.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.22 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.27 -22.84 64.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 112.881 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -82.53 -56.29 3.96 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.989 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.7 -34.57 78.17 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.1 p -64.75 -34.84 79.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.584 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -72.98 -48.89 32.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.397 1.079 . . . . 0.0 110.663 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.32 -41.6 69.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.388 0.675 . . . . 0.0 112.24 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -67.7 -36.99 81.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -86.27 -25.18 25.66 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.98 153.55 40.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.73 1.212 . . . . 0.0 111.956 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -62.89 158.02 20.1 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.626 1.17 . . . . 0.0 111.912 171.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.161 -0.962 . . . . 0.0 111.918 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -64.97 -42.65 94.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.943 0.897 . . . . 0.0 112.327 171.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.7 -37.96 79.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.207 1.003 . . . . 0.0 111.979 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.47 -43.17 97.2 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 111.968 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.6 mtm -62.78 -42.72 99.82 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.97 68.81 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.57 -39.79 94.38 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.591 1.087 . . . . 0.0 112.017 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.4 83.64 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.336 1.054 . . . . 0.0 112.371 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -46.63 67.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.625 -0.672 . . . . 0.0 111.304 174.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.37 -47.8 84.51 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.64 -28.88 69.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.874 0.761 . . . . 0.0 112.959 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.31 -41.57 63.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.176 0.99 . . . . 0.0 111.697 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.72 -37.97 79.86 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.191 0.997 . . . . 0.0 112.075 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 178.763 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.29 -50.83 71.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.772 1.169 . . . . 0.0 111.443 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 78.2 p -70.48 -28.51 65.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.674 0.79 . . . . 0.0 112.972 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.35 -54.86 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.008 0.923 . . . . 0.0 111.52 173.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -61.39 -34.03 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.582 1.553 . . . . 0.0 112.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -70.61 -21.86 62.6 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.38 -39.99 5.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.952 1.263 . . . . 0.0 114.7 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.4 176.09 10.01 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.533 1.133 . . . . 0.0 113.953 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 173.66 6.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.231 1.412 . . . . 0.0 113.567 -171.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.76 -30.28 67.4 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.004 1.321 . . . . 0.0 114.312 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -65.31 -35.96 82.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.476 0.71 . . . . 0.0 112.044 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.98 -30.42 50.18 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.054 0.942 . . . . 0.0 112.434 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.02 -47.97 72.68 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.319 0.648 . . . . 0.0 110.64 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.63 -29.8 69.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.15 -17.94 65.07 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.49 -25.56 5.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.49 -34.28 67.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.927 0.891 . . . . 0.0 112.326 168.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.98 -140.6 45.74 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.928 1.251 . . . . 0.0 113.095 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -64.05 -16.72 62.32 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.147 0.979 . . . . 0.0 113.476 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.09 -0.02 38.12 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.286 1.434 . . . . 0.0 113.654 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -56.22 143.49 33.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.787 -1.196 . . . . 0.0 112.835 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -167.851 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -80.17 -42.32 23.62 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.161 1.784 . . . . 0.0 112.387 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -70.69 -42.96 70.0 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.483 1.113 . . . . 0.0 112.543 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -64.19 -35.23 80.1 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.408 0.683 . . . . 0.0 112.359 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.9 -53.05 16.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.364 1.466 . . . . 0.0 111.952 174.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 63.1 tp -58.59 -37.0 74.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.262 1.025 . . . . 0.0 112.699 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 57.8 m -64.29 -20.8 66.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -86.17 -47.69 9.25 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.39 0.995 . . . . 0.0 111.237 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.13 -28.41 69.09 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.8 p -68.36 -27.87 66.63 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.409 1.004 . . . . 0.0 113.519 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.83 -34.04 17.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.261 1.824 . . . . 0.0 113.97 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.79 156.85 26.03 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.951 1.301 . . . . 0.0 112.358 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.9 t -68.55 156.79 37.36 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.677 1.191 . . . . 0.0 111.583 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -61.56 -34.02 74.86 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.922 -1.111 . . . . 0.0 112.008 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -63.27 -42.12 99.08 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.482 -0.761 . . . . 0.0 112.436 172.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.67 -39.03 90.9 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.682 0.793 . . . . 0.0 111.643 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.68 -45.1 95.44 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.962 0.905 . . . . 0.0 113.052 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -56.7 -48.33 77.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.175 0.898 . . . . 0.0 111.451 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.99 65.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.93 -36.87 84.54 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.061 0.846 . . . . 0.0 111.64 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.82 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.7 0.8 . . . . 0.0 111.71 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.86 -44.24 97.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.331 -0.855 . . . . 0.0 111.128 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -60.5 -50.21 74.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.141 0.976 . . . . 0.0 112.902 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.92 -26.41 65.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -75.31 -33.24 61.15 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.855 1.262 . . . . 0.0 112.424 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.64 -42.08 71.32 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.63 1.172 . . . . 0.0 112.302 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -177.796 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.52 -43.11 91.05 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.572 1.149 . . . . 0.0 111.109 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.9 t -64.35 -38.24 90.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.983 0.513 . . . . 0.0 112.326 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.19 -45.97 75.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.529 -0.732 . . . . 0.0 112.545 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.67 -26.6 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.771 1.228 . . . . 0.0 113.223 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -84.49 -21.45 30.61 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.858 -1.151 . . . . 0.0 113.921 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.39 -27.91 28.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.707 1.146 . . . . 0.0 115.303 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.66 179.84 3.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.103 1.761 . . . . 0.0 114.042 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.63 168.68 11.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.362 1.465 . . . . 0.0 112.418 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -60.81 -23.16 64.85 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.06 -32.84 74.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.491 1.116 . . . . 0.0 112.431 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -74.37 -33.75 63.16 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.419 1.088 . . . . 0.0 112.111 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.06 -47.02 78.82 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.078 0.551 . . . . 0.0 110.644 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.79 70.94 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.618 -0.676 . . . . 0.0 112.739 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.16 64.16 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.91 -27.54 5.37 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.81 -34.77 62.43 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.524 1.13 . . . . 0.0 111.77 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 -128.27 46.58 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.72 1.152 . . . . 0.0 113.103 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.19 -19.14 62.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.558 1.143 . . . . 0.0 113.907 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -94.36 8.53 41.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.192 1.397 . . . . 0.0 114.275 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.65 149.09 36.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.388 -0.82 . . . . 0.0 110.98 167.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.486 HG22 HD21 ' A' ' 70' ' ' ASN . 5.5 tp . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.221 0.608 . . . . 0.0 112.351 -172.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.13 -51.85 6.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.844 1.658 . . . . 0.0 111.184 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -64.55 -53.7 43.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.391 1.476 . . . . 0.0 112.719 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.55 -45.16 88.31 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.282 0.633 . . . . 0.0 111.959 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.81 -54.06 47.41 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.143 0.577 . . . . 0.0 111.763 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.92 -38.39 88.24 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.683 -0.636 . . . . 0.0 112.234 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -58.02 -58.42 8.48 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.403 0.681 . . . . 0.0 111.23 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -65.32 -36.59 84.51 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.84 -31.69 65.02 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.957 0.799 . . . . 0.0 112.545 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 t -71.38 -24.74 62.13 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -82.27 -30.53 30.6 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.8 1.24 . . . . 0.0 112.608 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.0 156.54 38.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.822 1.249 . . . . 0.0 112.922 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 160.4 31.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.656 1.182 . . . . 0.0 112.572 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.43 -37.11 79.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.188 -0.945 . . . . 0.0 112.249 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.486 HD21 HG22 ' A' ' 32' ' ' ILE . 7.7 m120 -64.91 -41.05 95.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 111.691 175.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.86 -40.28 87.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.944 0.898 . . . . 0.0 112.253 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.77 -45.45 89.78 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.686 1.194 . . . . 0.0 112.079 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.93 -40.24 97.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.705 0.684 . . . . 0.0 112.419 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.35 63.81 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.68 -38.05 89.69 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.11 -0.994 . . . . 0.0 110.799 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.07 85.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.916 0.886 . . . . 0.0 112.608 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 -45.49 77.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.767 0.827 . . . . 0.0 111.328 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -60.73 -45.17 95.27 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.245 -0.909 . . . . 0.0 112.494 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.38 -22.67 61.1 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -74.23 -32.3 62.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.587 1.085 . . . . 0.0 112.732 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.64 -32.18 62.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.205 1.002 . . . . 0.0 112.796 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.259 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.93 -46.03 92.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.396 1.078 . . . . 0.0 111.29 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.3 m -72.48 -29.97 64.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.008 0.923 . . . . 0.0 113.226 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.97 -45.51 85.38 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.241 -0.912 . . . . 0.0 112.144 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.71 -30.73 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.462 1.505 . . . . 0.0 112.783 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -74.47 -27.99 60.82 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 169.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.68 -42.53 31.8 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 123.635 0.636 . . . . 0.0 113.663 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.69 164.53 25.2 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.986 1.315 . . . . 0.0 113.249 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.3 177.72 4.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.469 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -58.88 -30.97 68.16 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.1 -33.84 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.627 0.771 . . . . 0.0 112.132 174.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -75.88 -38.16 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.842 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.64 -48.47 81.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.172 0.589 . . . . 0.0 110.931 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.99 -34.88 76.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.7 71.78 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.86 -28.86 39.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.14 -61.24 2.01 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.12 0.873 . . . . 0.0 111.749 169.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.5 110.2 0.04 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.04 1.305 . . . . 0.0 113.996 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 62.21 -38.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 129.307 3.043 . . . . 0.0 116.688 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.09 -3.54 45.87 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.782 1.633 . . . . 0.0 114.052 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.93 146.67 13.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.71 0.804 . . . . 0.0 110.221 161.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.465 HD13 ' HE2' ' B' ' 169' ' ' LYS . 7.3 tp . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -74.24 -47.06 37.61 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.683 1.993 . . . . 0.0 111.466 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.18 -49.75 70.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.83 1.252 . . . . 0.0 112.219 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -62.88 -45.89 90.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.058 0.943 . . . . 0.0 111.832 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.7 -54.66 39.63 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.396 1.078 . . . . 0.0 111.572 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.58 -36.73 81.51 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.339 -0.851 . . . . 0.0 112.622 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.4 t -62.11 -48.62 79.34 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.23 1.012 . . . . 0.0 111.66 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.78 -41.68 95.65 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.352 -0.843 . . . . 0.0 111.877 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.47 -28.93 68.72 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 11.2 p -72.47 -28.95 63.23 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.496 1.043 . . . . 0.0 113.366 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -74.71 -42.12 58.94 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.496 1.519 . . . . 0.0 112.655 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.86 140.47 58.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.178 0.991 . . . . 0.0 111.607 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 31.6 t -72.65 164.42 26.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.737 1.615 . . . . 0.0 112.897 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 169' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' B' ' 132' ' ' ILE . 65.8 tttt -52.35 -42.57 64.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.552 -1.343 . . . . 0.0 113.1 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -63.77 -37.26 86.69 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.179 0.992 . . . . 0.0 112.25 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.43 -38.0 71.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.62 1.168 . . . . 0.0 112.204 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.0 -40.41 89.13 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.808 0.843 . . . . 0.0 112.046 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.5 mtm -66.12 -43.96 85.65 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.895 -0.503 . . . . 0.0 111.781 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.26 76.8 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.19 -39.88 94.91 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.373 -0.83 . . . . 0.0 111.06 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.97 85.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.279 1.032 . . . . 0.0 111.771 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.11 -45.13 94.83 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.786 0.834 . . . . 0.0 111.599 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.57 -52.16 66.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.151 0.98 . . . . 0.0 112.303 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -24.89 63.26 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -74.1 -39.01 63.68 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.748 1.619 . . . . 0.0 111.982 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.73 -39.51 73.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.379 1.072 . . . . 0.0 112.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.513 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.0 -43.54 95.14 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.999 1.272 . . . . 0.0 111.094 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -66.2 -38.64 88.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.625 0.77 . . . . 0.0 112.293 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -66.05 -48.81 69.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.877 0.871 . . . . 0.0 112.085 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.6 mm -69.9 -31.34 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.935 1.294 . . . . 0.0 112.254 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -69.67 -26.35 64.34 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.075 -1.016 . . . . 0.0 113.692 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.47 -29.33 16.92 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.03 -177.93 4.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.193 1.797 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.47 172.47 11.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.53 1.532 . . . . 0.0 113.535 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.41 -27.85 67.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -65.81 -32.14 73.5 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.255 -0.903 . . . . 0.0 112.366 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -73.79 -32.91 64.0 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.613 1.165 . . . . 0.0 111.981 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.66 -46.13 66.81 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.654 0.782 . . . . 0.0 111.505 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.71 70.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.538 -0.726 . . . . 0.0 112.958 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -16.85 64.58 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.04 -28.02 5.22 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.43 -37.96 71.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 111.876 170.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.86 -122.5 28.93 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.574 1.083 . . . . 0.0 113.728 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.13 -27.0 65.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.187 1.395 . . . . 0.0 113.415 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -92.94 7.14 45.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.879 1.671 . . . . 0.0 114.084 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 149.33 40.16 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.543 -1.348 . . . . 0.0 112.459 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.453 HG22 HD21 ' A' ' 70' ' ' ASN . 5.6 tp . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 123.983 0.913 . . . . 0.0 113.076 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.89 0.376 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.83 -49.56 72.33 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.333 1.853 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -64.41 -42.97 95.78 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.854 0.862 . . . . 0.0 112.672 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -51.55 68.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.299 1.04 . . . . 0.0 111.142 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -65.18 -48.36 73.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.419 -0.8 . . . . 0.0 112.1 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -66.54 -32.27 73.51 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.27 -0.894 . . . . 0.0 112.734 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -62.41 -50.31 72.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.361 0.664 . . . . 0.0 111.52 171.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -58.14 -47.67 82.59 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.553 -0.717 . . . . 0.0 111.725 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.75 -19.7 64.35 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -74.76 -41.57 59.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.327 -1.483 . . . . 0.0 112.007 166.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -76.5 -38.34 55.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.755 1.622 . . . . 0.0 114.621 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.63 157.73 33.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.473 1.509 . . . . 0.0 112.691 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.041 1.336 . . . . 0.0 111.7 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -53.72 -35.72 61.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.86 -1.15 . . . . 0.0 112.119 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.453 HD21 HG22 ' A' ' 32' ' ' ILE . 10.6 m120 -64.43 -39.27 93.5 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.813 0.845 . . . . 0.0 112.211 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.76 -40.55 79.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.036 0.934 . . . . 0.0 111.931 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.1 -40.95 95.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.154 0.888 . . . . 0.0 112.461 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 53.0 mtm -59.86 -44.97 93.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.902 0.774 . . . . 0.0 112.045 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.76 64.96 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.97 -36.92 85.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.669 1.122 . . . . 0.0 111.188 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.94 88.21 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.793 0.837 . . . . 0.0 111.55 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -45.9 91.8 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.53 -47.02 85.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.782 0.833 . . . . 0.0 113.123 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.73 -28.49 67.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.15 0.886 . . . . 0.0 112.383 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -74.52 -31.51 62.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.53 1.132 . . . . 0.0 113.099 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -74.5 -39.04 62.67 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.515 1.126 . . . . 0.0 112.312 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 N--CA 1.47 0.551 0 O-C-N 121.423 -0.798 . . . . 0.0 113.131 -178.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.8 -38.99 83.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.561 0.744 . . . . 0.0 111.905 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.2 m -63.11 -28.78 70.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -78.3 -48.38 15.8 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.26 -0.9 . . . . 0.0 111.275 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.2 mm -66.14 -31.34 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.981 1.312 . . . . 0.0 113.017 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.63 -21.93 57.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.672 1.189 . . . . 0.0 113.423 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.73 -38.7 9.3 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.532 1.063 . . . . 0.0 114.399 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -75.13 176.08 7.63 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.487 1.515 . . . . 0.0 113.494 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 178.15 7.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.251 1.02 . . . . 0.0 113.373 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -58.92 -29.39 67.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.688 1.195 . . . . 0.0 114.158 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.02 -34.27 78.03 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.588 -0.695 . . . . 0.0 112.586 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -77.13 -39.44 49.34 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.765 1.226 . . . . 0.0 111.481 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.31 -47.46 85.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.832 0.853 . . . . 0.0 110.916 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.5 77.84 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.7 79.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.412 0.685 . . . . 0.0 112.605 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.27 -29.73 28.18 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.52 -41.05 40.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.398 1.079 . . . . 0.0 111.861 171.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.8 -128.9 41.14 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.883 0.754 . . . . 0.0 113.164 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -8.81 19.0 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -101.07 10.34 41.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.693 1.597 . . . . 0.0 113.324 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.43 151.76 23.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.81 1.244 . . . . 0.0 112.781 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 tp . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 113.345 -169.55 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.11 -36.45 81.95 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.177 1.391 . . . . 0.0 112.542 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -73.17 -49.6 27.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.334 1.054 . . . . 0.0 111.293 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.05 -21.08 63.2 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -80.53 -58.08 3.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.926 0.89 . . . . 0.0 111.196 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.37 -39.27 92.62 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 88.8 p -65.77 -29.47 69.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -74.24 -46.7 39.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.87 -1.144 . . . . 0.0 111.724 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.22 -30.23 70.31 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.7 p -71.32 -27.56 63.47 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -91.22 -29.69 17.07 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.859 1.664 . . . . 0.0 113.624 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.32 151.05 47.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.277 1.431 . . . . 0.0 111.985 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 54.1 p -73.1 167.72 20.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.118 0.967 . . . . 0.0 113.185 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -56.44 -39.2 72.72 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.698 1.199 . . . . 0.0 112.305 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -68.32 -41.52 80.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.756 1.223 . . . . 0.0 113.115 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.22 -37.53 83.75 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.009 0.822 . . . . 0.0 112.222 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.35 -40.21 95.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.701 1.2 . . . . 0.0 112.277 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 37.1 mtm -59.86 -50.76 72.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.46 0.573 . . . . 0.0 111.55 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.24 87.0 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.43 -40.56 95.98 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.56 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.85 85.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.08 0.952 . . . . 0.0 111.865 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -48.24 78.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.937 0.895 . . . . 0.0 110.733 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.9 -49.31 78.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.927 0.891 . . . . 0.0 112.79 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.33 -25.61 64.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.738 0.699 . . . . 0.0 112.609 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -77.22 -40.0 46.55 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.907 0.883 . . . . 0.0 112.266 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.28 -34.94 79.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.879 0.871 . . . . 0.0 112.666 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.925 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.46 79.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.24 0.616 . . . . 0.0 111.101 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -63.92 -35.9 82.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.226 1.011 . . . . 0.0 112.69 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.49 -48.87 63.31 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.936 0.895 . . . . 0.0 111.629 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.1 mm -65.16 -32.16 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.689 1.196 . . . . 0.0 112.549 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.76 -30.18 67.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.72 -31.28 15.93 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.56 179.2 6.1 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.792 1.237 . . . . 0.0 114.294 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.19 168.21 12.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.731 1.612 . . . . 0.0 112.69 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -167.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -64.2 -31.61 72.87 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.21 -0.931 . . . . 0.0 112.722 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.87 -25.72 40.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.513 1.125 . . . . 0.0 112.347 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.39 -49.76 52.34 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.704 0.802 . . . . 0.0 110.067 167.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.46 -29.69 66.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.037 0.935 . . . . 0.0 113.443 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.27 65.24 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.38 -26.19 5.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -72.59 -36.38 68.14 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.238 1.015 . . . . 0.0 112.196 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.5 -129.4 49.55 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.702 1.144 . . . . 0.0 113.281 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.01 -35.74 73.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 112.542 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -77.09 5.05 8.86 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 113.375 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.75 137.92 57.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.215 -0.928 . . . . 0.0 111.261 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.445 HD13 ' HE2' ' A' ' 69' ' ' LYS . 3.7 tp . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 123.9 0.88 . . . . 0.0 112.888 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.34 -42.13 75.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.954 1.302 . . . . 0.0 111.766 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.34 -42.62 79.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.049 0.94 . . . . 0.0 111.518 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.63 -38.22 80.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.774 1.229 . . . . 0.0 112.311 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -74.01 -55.69 5.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.202 1.001 . . . . 0.0 111.924 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.54 -33.27 75.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.393 1.077 . . . . 0.0 113.76 -171.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 m -63.09 -31.17 72.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.527 -0.733 . . . . 0.0 112.719 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -72.56 -49.12 34.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.153 0.981 . . . . 0.0 110.51 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.54 -36.93 79.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.625 0.77 . . . . 0.0 112.478 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.5 p -67.97 -26.57 66.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.355 0.979 . . . . 0.0 113.448 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -86.44 -33.97 20.26 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.799 1.64 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 153.53 39.86 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.481 1.112 . . . . 0.0 111.571 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 t -76.04 160.6 29.65 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.194 0.998 . . . . 0.0 111.703 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HE2' HD13 ' A' ' 32' ' ' ILE . 62.2 tttt -56.53 -40.25 74.75 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.843 -1.16 . . . . 0.0 112.353 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.77 -39.58 89.35 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.55 -0.719 . . . . 0.0 112.566 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.63 -38.92 80.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.181 0.993 . . . . 0.0 111.972 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.3 -47.19 87.07 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.496 0.718 . . . . 0.0 111.82 173.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mtp -60.21 -38.17 82.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.39 -44.52 44.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.36 -39.72 92.66 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.81 1.187 . . . . 0.0 111.512 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.27 83.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.31 1.044 . . . . 0.0 112.558 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.34 -49.98 61.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.249 1.02 . . . . 0.0 110.89 173.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.69 -46.64 86.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.645 0.778 . . . . 0.0 112.896 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.06 -27.99 66.99 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.82 -33.38 57.97 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.507 1.049 . . . . 0.0 112.212 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.67 -34.75 58.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.394 1.077 . . . . 0.0 112.418 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.711 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -34.25 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.516 1.126 . . . . 0.0 112.631 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.8 t -66.6 -34.13 77.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 0.0 112.201 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.56 -43.56 66.14 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.485 -0.759 . . . . 0.0 111.851 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.72 -33.7 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.31 1.044 . . . . 0.0 112.74 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.773 0.829 . . . . 0.0 113.219 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.64 -31.59 8.68 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.149 1.22 . . . . 0.0 116.149 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.56 171.97 10.44 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.41 167.86 9.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.081 1.353 . . . . 0.0 113.009 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -63.01 -23.56 67.51 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.28 -32.56 74.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.98 0.809 . . . . 0.0 112.421 169.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.17 -32.42 56.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.217 1.007 . . . . 0.0 112.032 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.65 -51.88 65.5 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.168 0.587 . . . . 0.0 110.373 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.34 70.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.705 0.802 . . . . 0.0 113.057 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.75 66.62 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.86 -25.85 8.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.16 -36.22 64.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.449 1.1 . . . . 0.0 112.144 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.7 51.57 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.168 0.889 . . . . 0.0 113.268 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -16.85 63.99 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -83.17 1.57 39.87 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 169.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -53.71 140.59 29.03 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.94 -1.1 . . . . 0.0 111.393 172.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -165.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -65.68 -39.97 91.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.138 1.375 . . . . 0.0 112.44 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.68 -41.73 59.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.435 1.094 . . . . 0.0 112.421 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.6 -42.74 98.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.59 1.156 . . . . 0.0 111.425 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.61 -49.74 69.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.78 1.232 . . . . 0.0 112.151 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 67.3 tp -60.03 -41.42 92.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.106 0.963 . . . . 0.0 112.848 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 63.5 m -63.03 -43.23 99.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.343 0.657 . . . . 0.0 112.014 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -62.52 -50.83 69.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.321 1.048 . . . . 0.0 111.698 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.1 -35.43 78.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.618 0.767 . . . . 0.0 112.334 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.6 t -63.24 -35.5 80.53 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.588 0.755 . . . . 0.0 112.891 172.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -84.78 -32.67 23.26 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 154.23 25.13 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.325 1.45 . . . . 0.0 113.48 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.4 t -61.35 154.73 23.19 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.55 1.14 . . . . 0.0 111.916 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.01 -30.17 70.14 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.981 -1.075 . . . . 0.0 111.817 170.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -69.76 -40.22 76.24 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.677 0.791 . . . . 0.0 112.911 171.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.251 1.02 . . . . 0.0 111.9 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.97 -39.49 78.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.919 1.288 . . . . 0.0 112.165 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.07 -42.76 79.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.175 0.59 . . . . 0.0 112.584 171.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.19 69.8 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.42 -38.84 92.42 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.486 1.039 . . . . 0.0 111.212 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.82 86.82 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.163 0.985 . . . . 0.0 111.854 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.54 70.61 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.752 0.821 . . . . 0.0 110.715 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.43 -45.18 95.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.852 0.861 . . . . 0.0 113.053 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.98 -29.33 68.33 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.284 0.947 . . . . 0.0 113.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -76.51 -33.62 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.266 1.026 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.02 -36.75 78.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.453 1.101 . . . . 0.0 112.77 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.843 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.81 -47.88 84.36 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.106 1.321 . . . . 0.0 110.479 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 m -65.8 -33.5 76.01 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.127 0.971 . . . . 0.0 112.535 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.39 -47.57 63.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.783 -0.573 . . . . 0.0 112.455 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -67.21 -27.39 39.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 124.983 1.313 . . . . 0.0 112.395 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.3 -43.54 85.97 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.952 -1.092 . . . . 0.0 112.446 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.55 -24.76 35.04 Favored Glycine 0 CA--C 1.537 1.412 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -168.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.57 -179.91 1.88 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.066 1.346 . . . . 0.0 113.866 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.3 171.59 9.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.72 1.208 . . . . 0.0 112.842 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -60.05 -25.72 65.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -65.26 -33.95 77.19 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.38 1.072 . . . . 0.0 112.328 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -73.82 -39.66 63.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.545 1.138 . . . . 0.0 111.762 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.36 -45.94 92.3 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.363 0.665 . . . . 0.0 111.054 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.44 73.98 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.22 78.48 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.243 0.929 . . . . 0.0 113.14 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.49 -30.76 14.86 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.87 -35.48 43.75 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.25 1.02 . . . . 0.0 111.765 170.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.67 -127.79 37.13 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.009 0.814 . . . . 0.0 112.933 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -57.56 -27.01 62.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.511 1.525 . . . . 0.0 113.477 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -95.38 5.56 51.32 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.338 1.455 . . . . 0.0 114.044 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.42 137.83 58.09 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.995 -1.066 . . . . 0.0 111.861 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 70' ' ' ASN . 2.3 tp . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 123.212 0.605 . . . . 0.0 111.417 -176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CZ2' ' HE2' ' A' ' 57' ' ' LYS . 42.3 p-90 . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE2' ' CZ2' ' A' ' 56' ' ' TRP . 14.8 ptpt -84.76 -45.93 11.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.095 1.358 . . . . 0.0 112.358 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.74 -49.06 50.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.414 1.086 . . . . 0.0 112.477 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.64 -27.93 64.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.265 0.626 . . . . 0.0 112.256 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -74.0 -55.37 6.23 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.518 1.127 . . . . 0.0 111.184 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.98 -34.39 77.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.233 0.613 . . . . 0.0 112.239 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.92 0.888 . . . . 0.0 112.298 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.85 -42.81 94.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.062 -1.024 . . . . 0.0 112.109 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.2 -28.8 69.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.7 0.682 . . . . 0.0 112.385 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 p -71.94 -28.94 63.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.549 1.068 . . . . 0.0 113.795 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.09 -44.88 52.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.664 1.186 . . . . 0.0 112.44 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 148.41 51.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.027 1.331 . . . . 0.0 112.739 -172.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -72.97 169.8 16.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.481 1.113 . . . . 0.0 113.66 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -47.94 -51.4 23.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.872 1.669 . . . . 0.0 112.364 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.425 HD21 HG22 ' A' ' 32' ' ' ILE . 12.8 m120 -66.71 -39.81 88.21 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.388 1.075 . . . . 0.0 111.985 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.83 -40.11 87.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.452 0.701 . . . . 0.0 112.661 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.93 -45.44 92.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.526 1.13 . . . . 0.0 112.092 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 mtp -62.72 -40.24 96.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.026 0.53 . . . . 0.0 112.42 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.26 61.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.22 -38.08 89.29 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.182 -0.949 . . . . 0.0 111.387 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.09 92.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.208 1.003 . . . . 0.0 112.11 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.86 -47.28 84.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.145 0.578 . . . . 0.0 111.371 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -60.83 -45.84 92.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.005 0.922 . . . . 0.0 113.106 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.97 -25.94 62.94 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.112 0.869 . . . . 0.0 113.311 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -71.15 -37.03 72.25 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.242 0.928 . . . . 0.0 112.359 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.79 -38.0 82.76 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.468 1.107 . . . . 0.0 112.878 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 123.607 0.763 . . . . 0.0 112.729 177.622 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.63 -56.16 3.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.218 1.007 . . . . 0.0 111.378 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.5 p -69.35 -27.47 65.37 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.69 -43.78 71.77 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.076 -1.015 . . . . 0.0 111.492 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.403 HD13 HD21 ' B' ' 118' ' ' LEU . 37.9 mm -66.64 -31.19 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.105 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.76 -28.78 66.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 170.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -87.27 -32.38 14.11 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.483 1.04 . . . . 0.0 115.646 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.403 HD21 HD13 ' B' ' 115' ' ' ILE . 2.2 pp -75.05 -179.05 4.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.784 1.634 . . . . 0.0 113.732 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.65 175.8 8.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.022 1.329 . . . . 0.0 113.089 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -61.16 -25.51 67.06 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -65.95 -34.52 78.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.087 0.955 . . . . 0.0 112.168 172.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -75.89 -37.93 58.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.256 1.022 . . . . 0.0 111.863 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -47.01 85.45 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.64 -0.662 . . . . 0.0 111.517 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.84 76.69 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.06 68.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -29.44 11.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.7 -38.84 58.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.315 1.046 . . . . 0.0 111.923 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.74 -124.82 37.41 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.165 0.888 . . . . 0.0 112.816 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.03 -26.43 66.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.919 1.288 . . . . 0.0 113.658 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -87.82 1.95 52.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.812 1.245 . . . . 0.0 113.863 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.74 146.02 43.01 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.277 -0.889 . . . . 0.0 112.6 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.7 tp . . . . . 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 112.483 -172.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.82 -39.55 63.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.751 1.22 . . . . 0.0 112.123 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.95 -51.71 68.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.785 1.234 . . . . 0.0 111.942 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.85 -50.91 64.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.536 0.734 . . . . 0.0 111.417 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -59.45 -48.52 81.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.551 0.74 . . . . 0.0 112.439 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.289 -0.882 . . . . 0.0 112.415 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 49.5 m -69.42 -19.54 63.8 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -79.16 -53.23 7.19 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.194 1.398 . . . . 0.0 110.533 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.66 -26.83 68.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.283 1.033 . . . . 0.0 113.242 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 84.8 p -65.3 -28.46 69.33 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.648 -1.283 . . . . 0.0 113.195 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -80.92 -42.99 20.49 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.884 1.273 . . . . 0.0 113.688 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.47 148.21 52.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.654 1.581 . . . . 0.0 112.405 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 57.0 p -69.59 162.38 27.71 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.373 1.069 . . . . 0.0 112.781 175.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.15 -35.83 65.15 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.209 -0.932 . . . . 0.0 112.917 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -66.06 -44.67 83.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.052 0.941 . . . . 0.0 111.865 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.25 -38.36 87.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.786 0.834 . . . . 0.0 112.843 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.43 -44.32 95.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 111.691 174.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 62.5 mtm -61.38 -43.46 98.83 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 170.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.34 68.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.3 -40.57 97.71 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.335 0.97 . . . . 0.0 111.824 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.76 93.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.578 1.151 . . . . 0.0 112.84 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.99 -46.53 71.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.727 . . . . 0.0 110.784 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -58.96 -49.93 76.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.737 0.815 . . . . 0.0 112.534 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.56 -27.25 66.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.95 -43.37 54.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.087 0.955 . . . . 0.0 112.037 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.53 -38.21 88.98 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.841 0.856 . . . . 0.0 112.012 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.62 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.14 -44.67 91.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.231 1.012 . . . . 0.0 111.152 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 p -65.13 -31.75 73.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.7 -53.07 9.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.617 1.167 . . . . 0.0 112.007 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.57 -32.75 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.159 1.384 . . . . 0.0 113.375 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.11 -19.88 61.73 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.036 -1.04 . . . . 0.0 113.539 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.4 -28.28 20.22 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.864 1.221 . . . . 0.0 115.083 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.99 175.05 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.742 1.617 . . . . 0.0 113.777 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.42 175.23 8.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 113.512 -169.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -55.66 -32.06 62.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 114.322 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.95 -37.36 86.76 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.568 1.147 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.07 -39.04 42.93 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.893 1.277 . . . . 0.0 111.987 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.03 -46.69 88.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.57 0.748 . . . . 0.0 111.625 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.47 78.06 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.78 77.96 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -29.76 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.2 -53.55 9.59 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.05 0.841 . . . . 0.0 111.757 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.62 100.68 0.06 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.297 1.427 . . . . 0.0 114.039 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 62.5 -35.63 0.12 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 128.667 2.787 . . . . 0.0 117.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.05 -2.78 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.907 1.683 . . . . 0.0 113.787 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -58.76 152.6 18.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.155 2.182 . . . . 0.0 112.982 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' HE2' ' A' ' 69' ' ' LYS . 3.1 tp . . . . . 0 N--CA 1.475 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.376 -173.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -86.06 -42.14 14.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.52 -49.43 73.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.387 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -68.34 -42.52 79.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.318 0.647 . . . . 0.0 112.271 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 -46.31 83.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.194 0.998 . . . . 0.0 112.029 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -40.96 98.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.657 0.783 . . . . 0.0 112.086 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.3 t -60.56 -45.02 95.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 0.0 112.404 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -64.32 -51.84 61.46 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.519 1.528 . . . . 0.0 111.112 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.95 -28.39 69.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.945 0.898 . . . . 0.0 113.113 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -65.27 -30.26 71.12 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.059 -1.026 . . . . 0.0 113.223 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -93.81 -21.19 19.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.49 151.57 42.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.253 1.021 . . . . 0.0 111.688 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 t -66.7 160.18 26.19 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.228 1.011 . . . . 0.0 112.673 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 32' ' ' ILE . 73.1 tttt -57.44 -36.8 71.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.672 -1.267 . . . . 0.0 112.4 171.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -63.86 -42.48 97.52 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.472 -0.767 . . . . 0.0 112.678 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.67 -40.63 88.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.231 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.62 -48.57 79.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.946 1.298 . . . . 0.0 111.757 174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.9 mtm -62.62 -40.52 97.24 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -46.05 63.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.97 -38.47 91.19 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.312 0.96 . . . . 0.0 111.175 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.53 -48.32 78.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.375 1.07 . . . . 0.0 111.806 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.96 -45.12 95.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.405 -0.809 . . . . 0.0 111.262 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.71 -47.91 83.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.471 0.708 . . . . 0.0 112.806 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.44 -26.26 64.51 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.954 0.797 . . . . 0.0 112.652 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -74.32 -32.16 62.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.766 1.226 . . . . 0.0 112.878 172.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.37 -38.55 65.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.409 1.084 . . . . 0.0 113.017 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -178.384 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.46 -49.46 66.57 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.939 0.896 . . . . 0.0 110.991 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -67.71 -29.87 69.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.97 0.908 . . . . 0.0 112.829 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.52 -52.93 48.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.579 1.152 . . . . 0.0 111.911 171.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.52 -30.02 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.84 -24.24 61.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.545 1.138 . . . . 0.0 113.476 171.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -14.97 67.77 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.566 1.079 . . . . 0.0 115.371 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.4 175.52 5.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.734 2.014 . . . . 0.0 112.936 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.31 178.51 6.2 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.632 1.173 . . . . 0.0 113.514 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -58.18 -29.49 65.67 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.22 -35.06 79.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.31 1.044 . . . . 0.0 112.385 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.04 -33.22 51.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.7 1.2 . . . . 0.0 112.287 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.01 -46.75 73.56 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.291 0.636 . . . . 0.0 111.105 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.34 67.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.186 0.994 . . . . 0.0 113.051 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.93 -16.83 64.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.39 -26.07 5.08 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.26 -35.29 63.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.672 1.189 . . . . 0.0 112.228 170.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.72 -126.02 40.99 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.344 0.973 . . . . 0.0 113.211 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.66 -22.6 65.44 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.08 1.352 . . . . 0.0 113.723 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -89.86 3.32 53.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.018 1.327 . . . . 0.0 113.73 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.33 141.34 58.8 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.177 -0.952 . . . . 0.0 111.592 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 tp . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.778 0.831 . . . . 0.0 112.602 -172.649 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -64.08 -50.44 68.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.598 1.959 . . . . 0.0 112.148 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -64.15 -45.42 88.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.234 1.014 . . . . 0.0 111.557 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.16 -49.8 74.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.679 0.792 . . . . 0.0 111.953 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.8 -52.69 63.18 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.13 0.972 . . . . 0.0 111.571 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.59 -39.21 93.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.014 0.824 . . . . 0.0 112.497 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 19.2 t -67.01 -35.89 80.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.529 0.604 . . . . 0.0 112.612 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.06 -50.09 62.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.238 0.926 . . . . 0.0 111.39 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.1 -34.02 67.91 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 51.9 p -67.3 -29.93 69.65 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.349 0.977 . . . . 0.0 113.606 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -78.6 -32.56 47.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.674 1.59 . . . . 0.0 112.617 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.05 147.11 53.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.025 1.33 . . . . 0.0 112.647 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.7 t -64.35 159.55 20.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.868 1.267 . . . . 0.0 112.025 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -43.26 -49.94 6.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.733 1.613 . . . . 0.0 111.578 165.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.03 -36.59 83.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.766 1.226 . . . . 0.0 112.126 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.53 -37.56 74.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.589 1.155 . . . . 0.0 112.555 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.28 -40.69 97.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.678 1.191 . . . . 0.0 112.046 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.99 -42.13 97.3 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.862 0.755 . . . . 0.0 112.172 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.9 68.84 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.3 -38.71 91.05 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.401 1.001 . . . . 0.0 111.764 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.18 91.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.251 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.48 -48.18 82.89 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.968 0.907 . . . . 0.0 110.933 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.61 -45.23 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.13 -23.82 64.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.674 1.125 . . . . 0.0 112.987 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.4 -39.39 47.34 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.28 -34.92 78.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.008 0.923 . . . . 0.0 112.793 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 178.705 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.65 -36.85 79.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.587 1.085 . . . . 0.0 111.893 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 t -74.68 -40.27 61.5 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.995 0.918 . . . . 0.0 112.296 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.03 -44.7 95.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.057 0.943 . . . . 0.0 112.792 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 18' ' ' LEU . 23.9 mm -66.82 -27.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 0.0 113.022 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.99 -27.64 57.52 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.764 -1.21 . . . . 0.0 113.494 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.33 -34.88 24.89 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.472 1.034 . . . . 0.0 115.042 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 15' ' ' ILE . 2.9 pp -74.65 179.36 4.79 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.742 1.617 . . . . 0.0 113.422 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 173.88 9.67 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.676 1.19 . . . . 0.0 113.106 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.71 -29.16 64.48 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -172.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -66.64 -31.3 71.89 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.804 0.842 . . . . 0.0 112.645 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -78.35 -34.25 48.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.58 1.152 . . . . 0.0 112.029 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.95 -49.19 77.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.226 0.61 . . . . 0.0 110.394 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.39 70.17 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.02 -17.47 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.08 -25.96 5.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.4 -35.51 65.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.281 1.032 . . . . 0.0 111.398 166.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.33 -129.16 47.1 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.572 1.082 . . . . 0.0 112.913 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -59.97 -25.02 64.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.059 1.344 . . . . 0.0 113.505 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -86.22 1.04 52.26 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.145 1.378 . . . . 0.0 114.296 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.55 141.98 55.93 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.224 -0.923 . . . . 0.0 111.619 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.464 HG22 HD21 ' A' ' 70' ' ' ASN . 2.6 tp . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.802 0.841 . . . . 0.0 112.056 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -68.23 -41.11 81.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.448 1.099 . . . . 0.0 112.996 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.41 -43.34 73.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.451 0.7 . . . . 0.0 111.796 172.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.41 -39.85 95.62 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.498 1.119 . . . . 0.0 112.493 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -72.4 -54.6 8.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.587 1.155 . . . . 0.0 112.288 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.3 tp -64.33 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 t -58.14 -45.76 86.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.758 0.823 . . . . 0.0 112.445 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -63.86 -42.98 97.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.382 -0.823 . . . . 0.0 111.685 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.84 -25.96 67.45 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -74.26 -35.51 63.79 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.206 -0.934 . . . . 0.0 113.147 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -73.29 -38.57 65.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.158 1.383 . . . . 0.0 114.571 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.84 157.41 37.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.01 1.324 . . . . 0.0 113.804 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -65.8 158.13 28.54 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.679 1.592 . . . . 0.0 112.818 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -59.17 -36.56 75.52 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.983 -1.073 . . . . 0.0 113.026 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.464 HD21 HG22 ' A' ' 32' ' ' ILE . 9.6 m120 -65.43 -40.23 93.08 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.456 -0.778 . . . . 0.0 112.224 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.78 -37.33 81.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.909 0.883 . . . . 0.0 112.597 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.01 -44.72 97.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.453 1.101 . . . . 0.0 112.109 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 54.3 mtm -59.57 -43.51 93.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.323 0.511 . . . . 0.0 112.088 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.86 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.34 -38.21 90.25 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.459 1.027 . . . . 0.0 111.332 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.25 86.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.627 1.171 . . . . 0.0 112.093 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.3 -43.72 93.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.217 -0.927 . . . . 0.0 111.368 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -59.25 -51.08 71.52 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.945 0.898 . . . . 0.0 112.723 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.84 -26.75 66.2 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.012 0.824 . . . . 0.0 112.988 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.62 -35.09 58.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.678 1.191 . . . . 0.0 112.841 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -73.19 -35.16 66.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.056 0.942 . . . . 0.0 113.058 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.093 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -47.86 84.49 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.102 0.961 . . . . 0.0 110.67 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.2 m -62.44 -30.77 71.47 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -75.01 -53.83 8.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.832 0.853 . . . . 0.0 111.874 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.4 mm -65.76 -30.88 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.727 1.611 . . . . 0.0 113.043 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.83 -22.86 55.86 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.45 -36.8 13.33 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.915 1.245 . . . . 0.0 114.362 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.62 -178.14 6.6 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.891 1.276 . . . . 0.0 113.208 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.93 177.86 7.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.873 1.669 . . . . 0.0 112.679 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -56.01 -28.39 57.09 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.865 1.666 . . . . 0.0 114.434 -175.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -62.07 -38.49 88.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.121 0.968 . . . . 0.0 112.414 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -82.13 -34.49 29.17 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.1 0.96 . . . . 0.0 112.719 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.98 -47.93 84.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.21 0.459 . . . . 0.0 111.249 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.13 77.18 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.348 -0.845 . . . . 0.0 112.992 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.9 88.19 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.96 -29.33 16.69 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.99 -37.52 58.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.209 1.004 . . . . 0.0 112.403 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.44 -128.22 45.15 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.065 0.84 . . . . 0.0 112.848 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -62.13 -19.35 62.92 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.67 -3.93 58.17 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -58.09 143.74 42.58 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.84 0.856 . . . . 0.0 111.899 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 124.461 1.105 . . . . 0.0 113.672 -167.502 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -73.34 -38.78 65.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 112.133 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.38 -47.67 47.57 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.106 0.962 . . . . 0.0 111.332 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.77 -36.85 82.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.824 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -73.32 -57.58 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.022 0.929 . . . . 0.0 111.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.49 -32.33 73.87 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.384 -0.823 . . . . 0.0 112.97 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.7 t -65.05 -24.41 67.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.779 1.232 . . . . 0.0 113.611 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -83.88 -47.86 10.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.308 1.043 . . . . 0.0 111.241 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.53 -20.3 66.14 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 96.4 p -75.69 -28.58 58.7 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.891 -1.13 . . . . 0.0 113.844 168.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.53 -41.14 11.56 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.526 1.53 . . . . 0.0 114.422 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.79 152.69 35.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.157 1.383 . . . . 0.0 112.588 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -75.54 153.54 37.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.109 0.964 . . . . 0.0 110.72 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -55.68 -31.49 62.44 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.676 -1.265 . . . . 0.0 113.601 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -41.75 97.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.71 1.204 . . . . 0.0 112.176 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.63 -41.35 84.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.653 1.181 . . . . 0.0 112.021 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.49 -42.13 91.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.518 0.727 . . . . 0.0 111.926 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 28.0 mtm -61.7 -46.43 89.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.573 0.749 . . . . 0.0 112.002 170.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.54 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.99 -39.0 93.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.9 0.773 . . . . 0.0 111.27 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.57 83.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.176 0.991 . . . . 0.0 112.194 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.71 -45.55 92.22 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.176 -0.952 . . . . 0.0 111.319 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.02 -48.44 80.3 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.47 -27.26 66.0 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.129 0.877 . . . . 0.0 113.011 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.36 -39.87 71.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.975 1.31 . . . . 0.0 112.039 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.12 -38.94 82.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.693 0.797 . . . . 0.0 112.474 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.546 0.792 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.808 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.62 -34.14 72.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.236 1.414 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -60.34 -36.18 77.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.23 1.012 . . . . 0.0 112.639 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -77.99 -48.2 16.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.503 0.721 . . . . 0.0 111.64 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -32.58 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.555 1.142 . . . . 0.0 112.783 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -75.6 -19.33 59.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.343 1.057 . . . . 0.0 113.812 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.67 -34.03 9.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.571 1.082 . . . . 0.0 114.722 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.98 -176.25 6.04 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.39 1.476 . . . . 0.0 113.941 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.85 176.15 8.94 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.675 1.59 . . . . 0.0 113.039 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -59.72 -26.4 65.59 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.76 -34.33 77.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.388 0.995 . . . . 0.0 112.841 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -81.18 -28.49 34.96 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.373 1.069 . . . . 0.0 112.947 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.52 -47.33 64.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.006 0.923 . . . . 0.0 110.88 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.5 67.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.752 0.821 . . . . 0.0 112.99 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -17.47 64.64 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.95 -26.46 5.17 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.66 -36.89 70.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.314 1.046 . . . . 0.0 112.296 170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.41 -126.03 41.09 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.407 1.003 . . . . 0.0 113.274 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -61.35 -31.91 71.79 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.64 10.37 11.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.591 1.157 . . . . 0.0 112.882 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.58 144.38 43.04 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.613 -0.68 . . . . 0.0 111.855 168.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 124.409 1.084 . . . . 0.0 112.448 -172.273 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.66 -42.61 50.8 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 112.758 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.47 -52.99 61.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.387 0.675 . . . . 0.0 112.448 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.65 -38.91 67.52 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.362 -0.836 . . . . 0.0 112.522 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.62 -44.2 82.66 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.887 -0.508 . . . . 0.0 111.877 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.6 tp -65.4 -36.3 83.54 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.404 -0.81 . . . . 0.0 111.849 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.2 t -63.97 -36.29 83.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.791 0.836 . . . . 0.0 112.8 171.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -61.5 -55.48 30.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.931 -1.105 . . . . 0.0 111.284 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.64 -21.6 65.36 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -77.39 -35.85 53.97 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.642 1.564 . . . . 0.0 113.343 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -85.88 -27.82 24.78 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.06 157.21 38.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.707 1.203 . . . . 0.0 112.495 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.76 154.5 31.9 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.662 1.185 . . . . 0.0 112.076 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -51.36 -37.49 48.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.841 -1.162 . . . . 0.0 113.148 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -66.34 -38.33 87.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.258 1.023 . . . . 0.0 112.912 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.42 -40.21 85.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.496 1.118 . . . . 0.0 111.589 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.03 -39.32 85.51 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.951 0.796 . . . . 0.0 112.291 172.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.4 mtm -64.35 -43.75 93.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.674 0.67 . . . . 0.0 112.079 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.25 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -62.94 -37.87 88.79 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.994 0.816 . . . . 0.0 111.467 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.17 78.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.825 0.85 . . . . 0.0 111.966 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -44.73 83.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.722 0.809 . . . . 0.0 110.973 175.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -58.43 -52.01 67.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.024 0.93 . . . . 0.0 112.751 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.19 -25.7 65.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -73.02 -38.18 66.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.792 1.237 . . . . 0.0 112.315 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.68 -37.25 70.75 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.151 0.98 . . . . 0.0 112.436 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.888 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.05 -40.81 95.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.133 0.973 . . . . 0.0 111.541 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -70.68 -34.82 72.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.161 0.984 . . . . 0.0 112.864 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -72.24 -46.74 54.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.587 0.755 . . . . 0.0 112.544 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mm -65.96 -25.53 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 125.354 1.461 . . . . 0.0 112.584 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.13 -20.57 44.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 169.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.7 25.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.448 1.023 . . . . 0.0 113.939 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.32 178.51 8.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.822 1.649 . . . . 0.0 113.048 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.27 178.75 6.57 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.173 1.389 . . . . 0.0 112.98 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -58.76 -31.81 68.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.75 1.22 . . . . 0.0 114.167 -171.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.84 -33.35 75.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.984 0.914 . . . . 0.0 112.459 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.33 -38.1 51.12 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.272 1.029 . . . . 0.0 111.686 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.91 -50.12 75.23 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.426 0.69 . . . . 0.0 110.798 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -34.07 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.893 0.769 . . . . 0.0 112.968 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.45 79.13 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.42 -31.33 33.21 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.4 -41.53 76.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.197 0.908 . . . . 0.0 111.537 167.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.44 81.2 0.57 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 124.699 1.142 . . . . 0.0 112.437 169.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 61.43 -17.38 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.796 2.439 . . . . 0.0 115.791 -166.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.91 6.31 5.31 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.594 1.558 . . . . 0.0 114.801 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.57 146.02 21.63 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.52 1.128 . . . . 0.0 112.106 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.1 tp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -173.637 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -73.76 -48.4 31.99 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.046 1.339 . . . . 0.0 111.017 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.6 -55.57 19.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -69.74 -20.43 63.51 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -167.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -79.93 -54.52 5.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.182 0.993 . . . . 0.0 111.538 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.39 -35.97 80.85 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.958 0.903 . . . . 0.0 112.511 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 35.1 t -62.61 -25.76 68.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.837 1.655 . . . . 0.0 113.527 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -84.6 -47.88 10.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.394 -0.816 . . . . 0.0 111.778 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.93 -22.93 66.02 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.3 p -70.28 -18.21 63.11 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -123.54 -17.06 6.59 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.22 144.81 56.85 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.646 0.657 . . . . 0.0 109.954 160.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.8 t -64.29 155.01 33.45 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.964 0.906 . . . . 0.0 112.625 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.02 -35.96 62.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.123 -0.985 . . . . 0.0 111.844 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -63.78 -38.08 89.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.855 0.862 . . . . 0.0 113.095 173.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.71 -38.8 73.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.587 0.755 . . . . 0.0 112.211 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.5 -40.89 98.19 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.819 1.19 . . . . 0.0 112.032 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.8 mtm -57.87 -43.83 86.26 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.578 0.626 . . . . 0.0 111.983 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.1 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.61 -41.21 98.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.424 1.011 . . . . 0.0 111.947 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.44 -34.75 74.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.037 0.935 . . . . 0.0 112.603 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.08 -47.82 48.62 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.75 0.82 . . . . 0.0 110.565 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.11 -42.14 98.93 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.718 1.207 . . . . 0.0 112.387 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.88 -25.81 65.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.69 -38.23 47.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.356 1.062 . . . . 0.0 112.499 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -68.73 -32.56 72.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.535 0.734 . . . . 0.0 112.72 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.884 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.39 -43.82 93.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.336 1.054 . . . . 0.0 111.445 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.1 t -64.25 -35.76 81.87 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.714 0.806 . . . . 0.0 112.203 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.1 -50.75 60.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.247 -0.908 . . . . 0.0 112.215 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.74 -29.87 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.038 1.335 . . . . 0.0 113.299 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -27.99 67.91 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.223 -0.923 . . . . 0.0 113.405 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 -39.61 4.96 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.018 1.294 . . . . 0.0 115.963 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.52 162.07 28.63 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.619 1.21 . . . . 0.0 114.123 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.04 171.32 8.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.393 1.077 . . . . 0.0 113.415 -173.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.55 -29.01 69.74 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.099 -1.001 . . . . 0.0 113.543 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.08 -33.23 75.05 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.407 -0.808 . . . . 0.0 112.457 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.83 -30.16 61.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.938 0.895 . . . . 0.0 111.996 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.84 -48.69 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.555 0.742 . . . . 0.0 111.111 168.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.68 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.74 0.816 . . . . 0.0 112.733 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.16 64.43 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.23 -25.49 5.25 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -76.52 -36.04 57.95 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.267 0.939 . . . . 0.0 112.36 171.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.69 -126.8 42.57 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.083 1.325 . . . . 0.0 113.324 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.74 40.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.64 -5.5 57.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.98 145.84 49.12 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.005 0.922 . . . . 0.0 111.319 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.461 HG22 HD21 ' A' ' 70' ' ' ASN . 2.8 tp . . . . . 0 CA--C 1.545 0.753 0 O-C-N 121.525 -0.734 . . . . 0.0 112.5 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.16 -50.76 7.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.718 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -66.37 -44.88 81.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.992 0.917 . . . . 0.0 113.308 -172.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.08 -46.61 80.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.197 0.599 . . . . 0.0 111.176 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.14 -48.98 71.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.055 . . . . 0.0 112.744 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.31 -35.86 81.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.392 -0.817 . . . . 0.0 112.16 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -68.28 -40.61 81.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.714 0.805 . . . . 0.0 112.286 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.62 -46.78 88.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.154 0.982 . . . . 0.0 111.982 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -28.05 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.578 -0.701 . . . . 0.0 112.554 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -68.77 -37.15 79.14 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.816 0.846 . . . . 0.0 113.0 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -61.56 -51.48 68.38 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.516 -1.365 . . . . 0.0 113.091 170.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.0 150.8 48.01 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -164.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.2 t -66.4 160.12 25.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.064 1.745 . . . . 0.0 112.259 173.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -56.85 -35.19 68.57 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.057 -1.027 . . . . 0.0 112.551 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.461 HD21 HG22 ' A' ' 32' ' ' ILE . 7.4 m120 -66.62 -41.47 88.29 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.235 1.014 . . . . 0.0 111.989 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -69.51 -39.5 77.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.71 1.204 . . . . 0.0 111.836 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.33 -42.51 91.66 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.611 1.564 . . . . 0.0 112.476 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.8 mtm -61.37 -44.94 96.31 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 169.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.65 62.18 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -173.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.75 -36.24 82.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.066 -1.021 . . . . 0.0 112.18 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -41.27 76.98 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.075 0.95 . . . . 0.0 111.8 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -47.11 87.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.587 1.155 . . . . 0.0 110.733 172.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -59.48 -53.6 56.21 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.386 1.075 . . . . 0.0 113.822 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.18 -28.58 69.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.948 0.795 . . . . 0.0 113.128 -175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -76.53 -35.42 58.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.124 1.37 . . . . 0.0 112.353 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.85 -39.09 61.78 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.807 0.843 . . . . 0.0 112.442 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.524 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.548 1.067 . . . . 0.0 111.462 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 25.9 m -66.4 -31.9 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.76 0.824 . . . . 0.0 112.409 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.02 -47.07 69.45 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.497 0.719 . . . . 0.0 112.533 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.46 -31.34 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.23 1.412 . . . . 0.0 112.614 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -75.01 -23.41 58.23 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.76 -19.67 59.35 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.539 1.066 . . . . 0.0 115.389 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.18 178.21 4.67 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.418 1.887 . . . . 0.0 113.577 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 175.95 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.028 1.331 . . . . 0.0 113.559 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.38 -30.43 68.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.84 1.256 . . . . 0.0 114.002 -173.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.26 -33.07 74.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.878 0.871 . . . . 0.0 112.596 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -78.95 -29.97 44.28 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.541 1.137 . . . . 0.0 112.143 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.0 -46.44 74.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.43 0.692 . . . . 0.0 110.956 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.81 -29.71 68.42 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.36 63.77 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.25 -26.49 6.3 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.36 -32.53 64.56 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 111.755 168.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.83 -139.13 40.48 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.747 1.165 . . . . 0.0 112.421 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.13 58.99 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 175.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -84.97 2.31 43.55 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.229 . . . . 0.0 113.389 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.82 146.83 24.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.568 1.147 . . . . 0.0 112.04 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.1 tp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -167.305 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.64 -42.73 95.25 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.247 1.419 . . . . 0.0 112.319 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.65 -48.08 73.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.155 0.982 . . . . 0.0 111.745 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -72.83 -31.36 64.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -68.18 -48.9 64.04 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.73 0.812 . . . . 0.0 111.669 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.11 -35.68 75.77 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.568 -0.708 . . . . 0.0 112.163 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 14.2 t -57.13 -39.55 75.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.195 1.398 . . . . 0.0 112.618 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -64.46 -52.0 60.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.674 1.124 . . . . 0.0 111.38 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.56 -27.34 68.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.944 0.898 . . . . 0.0 113.283 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.7 p -67.31 -22.74 65.61 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -87.78 -34.16 18.39 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.239 1.416 . . . . 0.0 113.552 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.6 157.19 32.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.185 1.394 . . . . 0.0 113.618 -171.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 33.8 t -75.06 163.17 27.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.618 1.567 . . . . 0.0 112.211 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.88 -37.26 81.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.806 -1.184 . . . . 0.0 113.014 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -63.65 -41.24 98.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.188 0.995 . . . . 0.0 112.745 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.29 -39.68 82.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.018 0.927 . . . . 0.0 111.927 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.45 -41.87 97.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.011 1.324 . . . . 0.0 112.291 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 43.7 mtm -60.48 -50.04 75.14 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.698 0.681 . . . . 0.0 111.403 169.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.18 81.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -173.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -40.04 95.4 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 111.48 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.79 90.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.489 1.116 . . . . 0.0 112.138 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -46.13 89.3 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.077 0.951 . . . . 0.0 110.779 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.45 -51.98 67.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.463 0.705 . . . . 0.0 112.522 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.06 -27.43 66.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.36 -44.65 64.61 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.063 0.945 . . . . 0.0 112.203 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.86 -37.1 86.49 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.838 0.855 . . . . 0.0 112.449 -175.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 178.262 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -42.12 99.59 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 112.858 -168.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -67.46 -28.96 68.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.98 -48.3 37.79 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.146 -0.971 . . . . 0.0 111.395 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.82 -33.16 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.031 1.332 . . . . 0.0 113.101 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -76.37 -23.33 54.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.917 0.887 . . . . 0.0 113.203 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.01 -32.65 12.14 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.881 1.229 . . . . 0.0 115.02 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.55 178.42 3.52 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.71 1.604 . . . . 0.0 113.667 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.22 172.9 9.16 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.89 1.276 . . . . 0.0 112.785 175.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -27.24 66.02 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.9 -33.86 76.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.836 0.855 . . . . 0.0 112.394 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.37 -35.56 61.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 112.031 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.52 -44.95 81.09 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.27 1.028 . . . . 0.0 111.413 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.0 69.56 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.94 -17.26 61.5 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.85 -28.67 5.88 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.56 -39.4 37.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.277 0.944 . . . . 0.0 111.899 170.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.07 -115.83 4.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.154 1.359 . . . . 0.0 113.482 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -54.3 -27.21 33.89 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.4 1.88 . . . . 0.0 113.926 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -104.16 16.43 26.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.862 1.265 . . . . 0.0 113.883 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.72 133.17 49.63 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.55 -1.344 . . . . 0.0 111.176 171.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp . . . . . 0 CA--C 1.551 1.004 0 C-N-CA 125.062 1.345 . . . . 0.0 112.974 -174.461 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -27.59 60.79 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -77.35 -52.19 9.58 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.402 1.081 . . . . 0.0 110.878 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.15 -24.71 66.71 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.736 1.214 . . . . 0.0 113.521 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -81.34 -59.38 2.66 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.275 -0.891 . . . . 0.0 111.948 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.76 -36.54 81.32 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.7 p -66.49 -21.04 66.18 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -84.79 -51.28 6.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.615 0.766 . . . . 0.0 110.547 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.08 -32.03 65.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.822 1.249 . . . . 0.0 113.349 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -67.98 -29.85 68.98 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -92.13 -16.74 25.9 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 150.07 48.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.039 0.836 . . . . 0.0 111.781 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -66.63 153.4 43.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.229 1.412 . . . . 0.0 111.24 174.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.51 -35.2 60.38 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 0.0 111.825 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -66.73 -48.86 67.84 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.49 0.716 . . . . 0.0 112.518 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.81 -42.09 99.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.367 1.067 . . . . 0.0 112.417 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.06 -35.07 79.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.911 1.684 . . . . 0.0 112.297 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.7 mtm -71.36 -40.3 70.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 167.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.15 86.22 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 -39.12 93.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.686 1.13 . . . . 0.0 111.959 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.84 86.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.946 1.298 . . . . 0.0 112.232 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.72 -47.65 77.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.195 0.998 . . . . 0.0 111.272 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -59.12 -50.02 75.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 0.0 112.454 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.69 -30.19 70.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.265 0.939 . . . . 0.0 112.986 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.67 -36.5 60.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.478 1.111 . . . . 0.0 112.88 172.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -67.9 -41.25 82.99 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.541 0.736 . . . . 0.0 111.838 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.684 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.5 -37.64 70.67 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.271 -0.893 . . . . 0.0 112.561 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -62.63 -39.22 93.14 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.609 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -71.78 -43.48 65.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.549 0.74 . . . . 0.0 112.149 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.7 -31.56 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.963 0.905 . . . . 0.0 112.449 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.54 -33.07 68.83 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.039 -1.038 . . . . 0.0 113.24 169.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.61 -26.42 32.65 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.63 179.83 3.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.463 1.505 . . . . 0.0 113.877 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 169.25 12.76 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.464 1.506 . . . . 0.0 112.377 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -60.48 -24.34 65.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -64.29 -32.76 74.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.181 0.992 . . . . 0.0 112.715 171.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -73.32 -36.34 66.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.838 1.255 . . . . 0.0 112.008 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.88 -47.45 71.82 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.842 0.857 . . . . 0.0 110.588 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.33 70.08 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.49 -17.65 64.22 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.17 -25.72 5.66 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.51 -36.64 57.63 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.715 1.206 . . . . 0.0 111.959 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.84 -126.36 42.38 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.592 1.091 . . . . 0.0 113.695 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -56.45 -30.6 63.08 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.364 1.466 . . . . 0.0 113.596 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.52 5.81 40.84 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.134 1.374 . . . . 0.0 114.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.86 133.09 55.76 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.042 -1.036 . . . . 0.0 111.283 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.922 . . . . 0.0 112.38 -174.406 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -33.27 72.65 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.957 0.903 . . . . 0.0 113.187 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 -48.28 43.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.047 0.939 . . . . 0.0 110.796 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.22 -31.12 71.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.173 0.989 . . . . 0.0 112.417 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -76.37 -58.19 3.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.507 0.723 . . . . 0.0 111.999 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.97 -35.92 81.05 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -173.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 29.5 t -66.04 -42.84 89.04 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.413 -0.805 . . . . 0.0 111.588 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -63.49 -44.34 94.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.641 0.655 . . . . 0.0 111.829 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.77 -33.56 71.85 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.918 0.781 . . . . 0.0 112.347 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 40.6 t -66.42 -42.92 87.03 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.236 -0.915 . . . . 0.0 112.487 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -67.66 -39.58 84.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.859 1.263 . . . . 0.0 113.525 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.65 152.03 45.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.829 1.651 . . . . 0.0 112.969 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.2 t -67.61 155.74 38.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.337 1.455 . . . . 0.0 113.357 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -52.66 -36.33 56.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.97 1.308 . . . . 0.0 111.711 166.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -66.33 -43.43 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.91 -39.1 87.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.593 0.757 . . . . 0.0 112.165 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.13 -40.58 96.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.869 0.759 . . . . 0.0 112.439 175.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.36 -39.74 91.72 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.585 0.629 . . . . 0.0 112.089 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.88 61.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.28 -37.79 88.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.517 1.053 . . . . 0.0 111.235 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.34 88.29 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.79 0.836 . . . . 0.0 112.261 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.86 -45.87 91.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.055 0.942 . . . . 0.0 111.417 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.2 -45.92 89.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.861 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.77 -24.28 65.31 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.581 1.082 . . . . 0.0 113.431 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -76.22 -40.03 53.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.493 1.117 . . . . 0.0 112.635 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.89 -37.08 86.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.244 1.018 . . . . 0.0 111.842 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.595 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -46.12 90.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.277 1.031 . . . . 0.0 110.755 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -59.54 -39.67 84.74 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.567 1.147 . . . . 0.0 112.609 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.15 -50.61 60.62 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.385 -0.822 . . . . 0.0 111.985 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.82 -29.76 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.508 1.123 . . . . 0.0 112.611 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -79.08 -21.11 47.22 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.88 1.272 . . . . 0.0 113.955 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.25 -33.08 9.0 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.513 1.054 . . . . 0.0 114.434 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.49 172.62 10.17 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.383 1.473 . . . . 0.0 114.076 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.69 173.19 6.54 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.825 1.25 . . . . 0.0 113.241 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.83 -27.02 67.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.084 -1.01 . . . . 0.0 113.515 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.49 -30.42 69.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.189 0.996 . . . . 0.0 112.317 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -78.3 -35.71 47.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.453 1.101 . . . . 0.0 111.703 174.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.69 -48.73 80.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.216 0.606 . . . . 0.0 110.716 169.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.05 70.61 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.87 77.33 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -30.1 13.42 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.19 -34.89 59.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.385 1.074 . . . . 0.0 112.208 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.85 -135.72 43.86 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.888 1.232 . . . . 0.0 112.479 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -67.91 -7.08 25.38 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -92.32 1.42 57.24 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.495 1.518 . . . . 0.0 113.942 172.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 149.91 30.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 112.793 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tp . . . . . 0 CA--C 1.548 0.867 0 C-N-CA 123.959 0.903 . . . . 0.0 112.932 -172.642 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.71 -27.21 66.62 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.92 -51.59 7.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.528 1.131 . . . . 0.0 110.981 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.48 -48.38 81.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.229 1.011 . . . . 0.0 112.825 -176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.6 -47.46 75.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.694 0.798 . . . . 0.0 112.152 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.56 -41.33 98.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.339 -0.851 . . . . 0.0 112.063 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.2 t -60.9 -39.4 89.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.018 0.927 . . . . 0.0 112.95 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -67.54 -47.65 69.26 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.792 0.837 . . . . 0.0 112.014 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.77 -31.7 71.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.217 1.007 . . . . 0.0 113.173 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.4 p -66.05 -27.1 67.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.742 1.155 . . . . 0.0 112.453 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -91.63 -6.88 51.48 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.525 1.93 . . . . 0.0 114.422 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.84 156.53 17.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.616 1.166 . . . . 0.0 112.384 168.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -77.9 161.37 27.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.544 1.138 . . . . 0.0 110.948 176.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -56.61 -43.89 80.61 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.059 -1.026 . . . . 0.0 112.624 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -60.53 -40.15 90.46 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 118.4 0.545 . . . . 0.0 112.321 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.86 -42.39 77.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.14 0.976 . . . . 0.0 112.491 172.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.5 -36.42 83.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.945 1.698 . . . . 0.0 112.586 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.6 mtm -69.73 -40.63 76.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.219 0.607 . . . . 0.0 112.129 168.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.21 78.8 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.56 -35.64 81.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.191 -0.943 . . . . 0.0 111.808 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.32 84.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.846 0.858 . . . . 0.0 112.001 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.38 -44.75 78.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.552 1.141 . . . . 0.0 111.059 172.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -56.87 -51.7 68.04 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.973 0.909 . . . . 0.0 112.564 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.4 -24.8 64.81 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -76.77 -33.45 58.07 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.572 1.149 . . . . 0.0 112.84 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.67 -40.33 69.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.13 0.972 . . . . 0.0 112.466 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -179.062 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -43.36 99.02 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.434 -0.791 . . . . 0.0 111.425 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.3 t -66.54 -34.91 78.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.121 0.969 . . . . 0.0 112.223 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.17 -47.17 77.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.538 -0.726 . . . . 0.0 111.8 175.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.23 -32.14 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.779 1.232 . . . . 0.0 112.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.56 -26.97 62.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.274 -0.891 . . . . 0.0 113.167 171.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.38 -41.02 12.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.674 1.131 . . . . 0.0 114.574 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.52 170.14 16.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.328 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 178.43 4.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.434 1.094 . . . . 0.0 113.456 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -59.87 -28.44 67.53 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.39 -35.83 81.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.911 0.885 . . . . 0.0 112.266 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.9 -38.24 57.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.971 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.79 -45.72 91.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.309 0.643 . . . . 0.0 111.155 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.43 75.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.081 0.855 . . . . 0.0 113.084 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.69 78.14 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.707 -0.621 . . . . 0.0 112.593 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.35 -30.05 16.77 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -175.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.31 -40.88 25.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.553 1.141 . . . . 0.0 111.727 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.32 -115.61 7.65 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.463 1.03 . . . . 0.0 112.805 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -50.76 -40.52 55.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.48 1.912 . . . . 0.0 113.704 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -92.26 8.59 37.53 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.573 1.149 . . . . 0.0 113.698 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.71 142.22 58.22 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.419 -0.8 . . . . 0.0 111.608 174.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.5 tp . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -170.34 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.6 65.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -76.55 -44.81 33.25 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.628 1.171 . . . . 0.0 110.528 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -66.56 -46.31 76.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 0.0 112.12 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -64.86 -48.38 74.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.612 1.165 . . . . 0.0 112.083 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.89 -29.49 70.44 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.364 -0.835 . . . . 0.0 112.586 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.5 t -67.47 -33.39 75.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.532 1.133 . . . . 0.0 113.395 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -68.61 -48.9 62.93 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.228 -1.545 . . . . 0.0 110.985 167.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.42 -40.06 71.0 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.563 1.145 . . . . 0.0 112.626 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.2 p -71.21 -32.17 68.49 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -76.27 -38.73 55.84 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.723 1.209 . . . . 0.0 113.376 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.72 146.25 51.67 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 0.0 112.36 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 22.7 t -73.58 165.2 25.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.808 1.243 . . . . 0.0 112.602 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -50.67 -39.19 50.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.993 1.717 . . . . 0.0 112.381 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -67.46 -45.04 77.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.671 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.67 -38.62 84.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.434 1.094 . . . . 0.0 112.099 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.08 -39.77 87.26 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.011 1.324 . . . . 0.0 112.5 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 73.0 mtm -67.21 -42.47 84.07 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.701 -0.625 . . . . 0.0 112.453 170.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.56 82.6 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.687 0.795 . . . . 0.0 112.816 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.29 -37.53 85.62 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.835 0.743 . . . . 0.0 111.562 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.89 95.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.218 1.007 . . . . 0.0 112.229 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.21 -47.43 79.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.27 -42.59 99.13 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.267 -0.896 . . . . 0.0 113.13 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.32 -26.83 65.82 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.309 0.959 . . . . 0.0 113.192 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.18 -35.46 66.4 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.175 0.898 . . . . 0.0 112.489 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -70.98 -35.93 72.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.234 1.014 . . . . 0.0 112.532 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.431 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.72 -46.69 86.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.756 -0.59 . . . . 0.0 111.297 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 t -65.34 -37.52 87.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.517 0.727 . . . . 0.0 112.404 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.71 -47.21 79.15 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.507 0.723 . . . . 0.0 112.184 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -68.47 -29.86 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.691 1.196 . . . . 0.0 112.886 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.2 -32.04 62.89 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 112.889 172.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.22 -26.34 44.45 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.772 1.177 . . . . 0.0 115.239 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.74 -174.39 2.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.877 1.271 . . . . 0.0 113.313 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.65 164.64 23.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.697 1.599 . . . . 0.0 112.586 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.6 -22.88 62.43 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.83 -35.72 80.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.151 0.98 . . . . 0.0 112.894 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.46 -36.68 63.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.424 1.09 . . . . 0.0 111.569 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.14 -46.06 82.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.441 0.696 . . . . 0.0 111.173 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.1 -33.38 73.28 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 112.899 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.5 87.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -28.51 18.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.9 -40.74 46.34 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.754 1.222 . . . . 0.0 111.928 172.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.84 -130.56 49.78 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.894 0.759 . . . . 0.0 112.476 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.5 -15.37 57.67 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 178.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.1 0.78 39.09 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.83 144.37 44.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.176 -0.953 . . . . 0.0 112.802 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.166 0.986 . . . . 0.0 113.476 -170.144 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -35.91 80.71 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -74.71 -44.47 49.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.499 0.72 . . . . 0.0 112.151 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.16 -48.26 79.19 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.626 -0.671 . . . . 0.0 111.643 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -65.65 -47.78 74.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.649 0.78 . . . . 0.0 112.115 -176.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.57 -37.37 86.48 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.132 -0.98 . . . . 0.0 112.143 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.0 t -63.53 -48.97 75.33 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.531 0.605 . . . . 0.0 112.257 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.6 -37.23 73.84 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.894 -1.129 . . . . 0.0 112.301 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.79 -18.72 65.52 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.967 1.258 . . . . 0.0 113.853 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -74.82 -43.23 55.72 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.742 1.61 . . . . 0.0 111.021 169.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -66.43 -46.55 76.12 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.464 1.506 . . . . 0.0 113.997 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.36 151.43 32.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 113.02 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.8 t -67.66 154.04 42.37 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.621 1.169 . . . . 0.0 111.97 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -56.53 -29.35 61.8 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.959 -1.088 . . . . 0.0 112.526 168.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -62.52 -44.85 95.35 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.476 -0.765 . . . . 0.0 112.348 170.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.15 -40.7 78.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.793 1.237 . . . . 0.0 112.081 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.9 -42.36 93.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.822 1.249 . . . . 0.0 112.166 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.57 -45.86 90.99 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.699 0.681 . . . . 0.0 112.227 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.08 76.66 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.27 -37.71 86.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.268 0.94 . . . . 0.0 111.83 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.23 90.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.684 0.793 . . . . 0.0 111.856 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -45.43 79.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.597 0.759 . . . . 0.0 110.731 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -61.08 -46.29 91.26 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.807 0.843 . . . . 0.0 113.023 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.36 -23.36 62.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -37.56 51.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.05 0.94 . . . . 0.0 112.617 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.7 -36.11 83.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.396 1.078 . . . . 0.0 112.719 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.069 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 120.186 0.041 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.69 -39.62 92.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.443 -0.786 . . . . 0.0 111.959 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -65.19 -46.23 81.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.965 0.506 . . . . 0.0 112.149 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -70.57 -45.37 65.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.78 -28.36 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.384 1.473 . . . . 0.0 112.548 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.0 -20.28 49.49 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.029 -1.044 . . . . 0.0 113.752 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.16 -32.66 9.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.034 1.302 . . . . 0.0 115.09 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.45 175.48 4.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.406 1.882 . . . . 0.0 113.562 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.7 168.12 10.31 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.198 1.399 . . . . 0.0 113.353 174.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.75 -24.86 64.39 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.532 -1.355 . . . . 0.0 114.176 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -66.93 -32.66 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.524 -0.735 . . . . 0.0 112.686 172.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -72.13 -38.49 69.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.664 1.186 . . . . 0.0 111.543 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.04 -47.64 82.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.413 0.685 . . . . 0.0 110.185 172.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.83 90.47 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.34 -30.27 20.93 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.22 -39.03 34.21 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.255 1.022 . . . . 0.0 112.491 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.79 33.69 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.604 0.621 . . . . 0.0 111.929 -174.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.46 -21.31 62.2 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -75.92 -7.27 54.16 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.66 137.71 58.15 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.082 -1.012 . . . . 0.0 111.727 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 123.686 0.794 . . . . 0.0 112.599 -172.639 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -81.8 -58.96 2.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.236 2.214 . . . . 0.0 111.404 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -71.76 -40.59 69.22 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -169.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.21 -42.01 93.93 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 111.741 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.77 -50.06 63.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.246 1.018 . . . . 0.0 111.953 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.19 -40.28 85.21 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.096 0.558 . . . . 0.0 111.955 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 47.2 t -61.25 -51.23 69.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.933 0.893 . . . . 0.0 112.264 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.12 -45.82 91.76 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.071 -1.018 . . . . 0.0 112.141 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -30.25 71.4 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 118.9 -0.572 . . . . 0.0 112.49 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.7 p -69.53 -26.38 64.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.723 1.147 . . . . 0.0 113.438 173.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -88.41 -33.12 18.0 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.321 1.448 . . . . 0.0 113.376 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.33 153.64 42.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.098 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.2 t -66.03 157.16 31.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.4 . . . . 0.0 113.303 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -53.83 -39.77 65.87 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.64 1.576 . . . . 0.0 112.148 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.04 -40.68 74.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.013 0.925 . . . . 0.0 112.292 176.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -66.3 -40.16 89.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.143 0.977 . . . . 0.0 112.524 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.11 -44.86 92.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.705 1.202 . . . . 0.0 112.234 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 56.8 mtm -61.74 -44.06 97.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.727 0.411 . . . . 0.0 111.708 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.84 -46.47 71.71 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.95 -39.35 93.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.388 0.994 . . . . 0.0 111.539 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.54 96.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.378 1.071 . . . . 0.0 112.214 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.45 -45.74 82.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.502 -0.749 . . . . 0.0 110.86 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.21 -45.27 94.08 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.349 -0.844 . . . . 0.0 113.264 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.85 -25.17 63.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.926 0.785 . . . . 0.0 112.788 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -75.01 -34.75 61.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.265 1.026 . . . . 0.0 112.157 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.69 -35.66 72.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.441 1.096 . . . . 0.0 112.683 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 178.049 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.12 -45.28 91.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.86 1.264 . . . . 0.0 111.993 -174.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -73.71 -27.94 61.46 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.866 0.866 . . . . 0.0 113.082 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -70.76 -45.43 64.81 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.955 -1.09 . . . . 0.0 111.827 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.99 -24.53 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.62 1.568 . . . . 0.0 112.497 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -80.21 -21.12 43.25 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 169.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.54 -29.78 11.64 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.323 0.963 . . . . 0.0 115.321 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.43 173.2 7.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.011 1.725 . . . . 0.0 113.667 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.44 167.27 10.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.776 1.23 . . . . 0.0 113.166 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.72 -25.33 66.36 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.01 -32.35 73.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.747 0.819 . . . . 0.0 112.566 172.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -72.25 -35.74 68.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.393 1.077 . . . . 0.0 111.71 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.08 -50.29 64.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.702 0.801 . . . . 0.0 110.864 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -33.57 70.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.151 0.98 . . . . 0.0 113.309 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.1 75.15 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.17 -27.03 13.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 -40.02 62.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.31 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.17 -127.06 44.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.174 0.892 . . . . 0.0 113.418 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.08 -24.38 67.88 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.125 0.97 . . . . 0.0 113.538 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -83.68 4.57 28.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.987 1.315 . . . . 0.0 114.528 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.32 146.53 43.72 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.058 -1.026 . . . . 0.0 112.111 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 125.279 1.431 . . . . 0.0 113.207 -171.438 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -71.14 -43.29 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.56 1.544 . . . . 0.0 112.061 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.04 -45.76 66.45 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.009 1.324 . . . . 0.0 112.144 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.5 -41.74 79.6 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.009 0.924 . . . . 0.0 112.085 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.54 -48.02 76.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.796 0.838 . . . . 0.0 111.542 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' H ' ' B' ' 130' ' ' GLU . 37.8 tp -60.61 -42.32 96.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.737 0.699 . . . . 0.0 112.34 174.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -66.18 -27.81 68.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.2 -45.32 18.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.707 0.803 . . . . 0.0 111.023 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.21 -34.66 78.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.768 0.827 . . . . 0.0 112.83 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.4 p -65.53 -32.23 73.72 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.434 1.015 . . . . 0.0 112.376 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.43 -31.07 42.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.625 1.57 . . . . 0.0 113.569 176.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.45 148.56 50.45 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 113.056 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -71.94 159.7 33.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.626 1.571 . . . . 0.0 112.924 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -53.21 -38.74 63.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.245 1.418 . . . . 0.0 112.614 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -67.02 -40.46 87.26 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.485 0.714 . . . . 0.0 112.751 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -37.06 77.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.472 1.109 . . . . 0.0 112.535 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.52 -43.14 99.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.708 1.203 . . . . 0.0 112.125 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.3 mtm -59.21 -47.0 86.96 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.02 0.373 . . . . 0.0 111.787 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.56 72.38 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -39.88 94.4 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.898 1.226 . . . . 0.0 111.313 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.92 86.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.943 1.297 . . . . 0.0 112.101 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.98 -46.57 84.03 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.648 -0.658 . . . . 0.0 111.049 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.75 -46.18 90.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.615 0.766 . . . . 0.0 112.427 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.91 -25.96 65.75 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.57 1.077 . . . . 0.0 113.399 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -74.92 -38.9 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.645 1.178 . . . . 0.0 112.881 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.46 -39.69 92.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.999 0.92 . . . . 0.0 111.926 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.97 -30.57 68.02 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 112.558 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -63.3 -35.6 80.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 112.326 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -72.03 -45.21 61.71 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.551 0.74 . . . . 0.0 111.624 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.02 -31.22 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.334 1.054 . . . . 0.0 112.311 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.69 -25.82 61.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.955 0.902 . . . . 0.0 113.221 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.51 -27.86 10.21 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.44 177.17 4.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.869 1.668 . . . . 0.0 114.372 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.52 172.38 7.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.851 1.66 . . . . 0.0 112.884 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -60.85 -27.13 67.87 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.25 -29.72 70.02 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.112 -0.992 . . . . 0.0 113.264 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -75.28 -36.75 61.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.712 0.805 . . . . 0.0 111.627 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.18 -43.62 94.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.315 0.646 . . . . 0.0 110.632 174.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.78 69.92 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.64 53.45 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -31.63 27.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.08 -61.23 2.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.331 0.969 . . . . 0.0 110.837 165.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.21 -71.69 0.6 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.026 1.298 . . . . 0.0 112.7 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -144.72 124.79 13.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.152 2.181 . . . . 0.0 108.156 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.415 ' H ' HD23 ' A' ' 61' ' ' LEU . 40.0 mm-40 -83.82 81.02 8.95 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 131.263 3.825 . . . . 0.0 114.457 1.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.03 152.3 44.94 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.216 158.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -173.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.95 -39.78 79.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.931 1.293 . . . . 0.0 112.702 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -71.94 -42.74 66.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.585 0.754 . . . . 0.0 112.198 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -62.06 -39.35 92.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.576 1.15 . . . . 0.0 111.656 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.66 -53.92 12.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.223 -0.923 . . . . 0.0 112.159 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.79 -38.47 90.76 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.08 -1.012 . . . . 0.0 113.48 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 -20.53 65.37 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -82.35 -50.26 9.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.696 1.198 . . . . 0.0 110.358 169.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.2 -28.92 70.02 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.599 -0.688 . . . . 0.0 112.652 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 77.9 p -69.38 -31.13 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.939 -1.101 . . . . 0.0 113.673 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -95.8 -21.4 18.15 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 150.15 49.25 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.865 1.266 . . . . 0.0 112.314 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 27.2 t -76.1 162.1 28.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.581 1.552 . . . . 0.0 113.018 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -51.84 -43.71 63.31 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.541 1.537 . . . . 0.0 112.419 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -64.76 -42.18 95.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.093 0.957 . . . . 0.0 113.127 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.51 -38.66 87.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.509 0.724 . . . . 0.0 112.16 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.57 -43.27 99.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.318 1.047 . . . . 0.0 112.217 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.27 -40.97 97.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.584 0.354 . . . . 0.0 111.934 172.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.98 69.87 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -40.34 96.67 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.24 0.927 . . . . 0.0 111.263 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.4 -42.14 88.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.829 1.251 . . . . 0.0 112.089 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.48 -48.3 78.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.629 0.772 . . . . 0.0 111.728 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.84 -45.17 95.54 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.436 -0.79 . . . . 0.0 112.623 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.38 -24.34 62.94 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.064 0.847 . . . . 0.0 113.122 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -75.66 -37.75 59.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.254 1.022 . . . . 0.0 112.873 170.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.3 -34.48 78.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.902 0.881 . . . . 0.0 112.827 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 177.293 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 120.716 0.293 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.75 -45.29 90.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.836 1.254 . . . . 0.0 110.507 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 m -69.73 -28.45 65.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.913 0.885 . . . . 0.0 112.234 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -68.91 -46.04 69.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.176 0.99 . . . . 0.0 112.066 169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.76 -32.35 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.6 1.16 . . . . 0.0 112.428 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.85 -19.92 58.51 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.82 -44.15 5.83 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.977 1.275 . . . . 0.0 113.717 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.82 159.75 33.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.733 1.213 . . . . 0.0 113.449 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.01 175.96 5.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.4 1.08 . . . . 0.0 113.782 -172.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -60.85 -28.57 68.94 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.71 -33.5 75.77 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.468 -0.77 . . . . 0.0 112.589 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -76.8 -37.57 55.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.281 1.032 . . . . 0.0 111.781 175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.89 -47.14 87.74 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.663 0.785 . . . . 0.0 110.995 171.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.92 72.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.488 -0.757 . . . . 0.0 112.992 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.84 80.77 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 113.051 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.13 -28.66 16.18 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.7 -33.19 27.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.849 1.259 . . . . 0.0 112.67 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.72 -136.08 35.89 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.77 1.176 . . . . 0.0 113.084 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.76 -23.58 65.09 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.578 1.151 . . . . 0.0 113.447 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.23 12.03 23.73 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.037 1.335 . . . . 0.0 114.453 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -57.2 139.15 53.5 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.876 -1.14 . . . . 0.0 110.403 162.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.479 1.021 0 C-N-CA 123.523 0.729 . . . . 0.0 112.711 -171.667 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.65 77.74 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.501 1.121 . . . . 0.0 113.07 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -74.05 -44.61 53.65 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.888 0.875 . . . . 0.0 111.102 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.38 -46.79 87.68 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.779 1.232 . . . . 0.0 111.798 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -62.06 -53.57 53.61 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.589 1.155 . . . . 0.0 111.728 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.96 -36.78 85.48 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.321 -0.862 . . . . 0.0 112.972 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 t -65.5 -34.48 78.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.73 1.212 . . . . 0.0 113.358 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -80.54 -38.91 28.74 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.725 1.148 . . . . 0.0 112.761 171.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.35 -37.31 67.3 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.272 1.029 . . . . 0.0 113.606 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -66.79 -22.82 66.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -85.7 -25.65 26.38 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.293 1.837 . . . . 0.0 112.903 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.53 150.19 47.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.571 1.548 . . . . 0.0 111.532 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.7 p -69.46 167.84 15.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.955 0.902 . . . . 0.0 112.539 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -57.89 -38.12 75.22 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.516 -0.74 . . . . 0.0 111.885 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -65.85 -43.3 88.87 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.678 -0.639 . . . . 0.0 112.05 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.37 -39.38 89.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.594 0.758 . . . . 0.0 112.214 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.69 -38.74 85.99 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.496 1.118 . . . . 0.0 112.566 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.9 mtm -70.28 -41.22 73.68 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.877 -0.515 . . . . 0.0 112.281 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.77 82.42 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -177.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.42 -38.0 88.62 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.042 0.837 . . . . 0.0 111.322 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.67 93.77 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.371 1.068 . . . . 0.0 112.305 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.522 1.129 . . . . 0.0 111.192 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.46 -47.65 85.21 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.657 0.783 . . . . 0.0 112.764 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.05 -24.15 64.14 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.34 -40.73 50.53 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.057 0.844 . . . . 0.0 112.377 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.8 -37.92 89.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.495 0.718 . . . . 0.0 111.981 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 177.804 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.11 -32.39 73.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.717 -0.614 . . . . 0.0 112.084 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 m -75.32 -43.8 48.85 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.133 0.973 . . . . 0.0 112.614 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.29 -48.33 61.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.166 0.986 . . . . 0.0 112.743 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -66.6 -24.36 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.446 . . . . 0.0 112.697 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -80.17 -25.46 39.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.903 -1.123 . . . . 0.0 113.895 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.07 -36.03 25.8 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.041 0.829 . . . . 0.0 114.171 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -76.83 176.72 8.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.741 1.617 . . . . 0.0 113.225 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.44 178.44 6.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.148 1.379 . . . . 0.0 113.309 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -58.93 -30.05 67.56 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -64.93 -33.42 75.97 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 112.507 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.01 -36.11 49.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.526 1.13 . . . . 0.0 111.711 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.32 -45.24 94.11 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 110.935 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.96 73.39 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 174.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.2 74.4 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.943 0.792 . . . . 0.0 112.703 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.87 -32.99 30.79 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.02 -38.31 53.17 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.754 1.161 . . . . 0.0 112.144 169.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.1 -132.29 30.8 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.528 0.585 . . . . 0.0 111.95 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.65 -16.6 61.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.82 -1.7 40.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.928 1.291 . . . . 0.0 113.99 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.09 150.65 42.14 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' ILE . . . . . 0.421 HD13 ' HE2' ' B' ' 169' ' ' LYS . 8.6 tp . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 123.986 0.915 . . . . 0.0 112.995 -173.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -37.88 27.45 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.109 1.364 . . . . 0.0 112.857 174.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.84 -44.57 66.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.439 1.096 . . . . 0.0 112.194 -175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -62.57 -46.96 85.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.029 0.932 . . . . 0.0 111.463 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.66 -48.93 75.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.45 1.1 . . . . 0.0 112.133 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.19 -37.76 88.35 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.421 -0.799 . . . . 0.0 112.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 45.6 t -61.89 -45.87 91.86 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.762 0.71 . . . . 0.0 111.675 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -63.51 -49.77 72.25 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.393 1.077 . . . . 0.0 111.728 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.84 -31.69 72.95 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.761 0.824 . . . . 0.0 112.66 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.4 t -61.49 -38.52 87.61 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.956 -1.09 . . . . 0.0 112.274 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -80.08 -27.32 39.3 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.067 1.347 . . . . 0.0 114.609 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.33 155.5 39.36 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.767 1.227 . . . . 0.0 113.056 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 46.6 t -71.71 157.49 37.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.094 1.357 . . . . 0.0 113.038 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 169' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' B' ' 132' ' ' ILE . 56.5 tttt -54.22 -43.05 70.49 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.391 1.076 . . . . 0.0 111.944 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -59.96 -41.66 92.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.62 -40.39 88.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.293 0.637 . . . . 0.0 112.161 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.66 -42.87 99.51 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.79 -42.45 99.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.603 0.638 . . . . 0.0 112.14 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.81 69.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.61 -38.58 87.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.032 0.833 . . . . 0.0 111.878 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.03 91.03 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.995 0.918 . . . . 0.0 112.37 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.22 -50.3 73.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.715 0.806 . . . . 0.0 110.634 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.47 -50.48 73.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.543 0.737 . . . . 0.0 112.747 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.76 -26.17 65.99 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.044 0.838 . . . . 0.0 112.998 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -79.62 -33.09 41.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.224 1.01 . . . . 0.0 112.855 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -68.92 -38.56 79.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.309 1.044 . . . . 0.0 112.601 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.73 -42.0 91.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.99 0.516 . . . . 0.0 110.62 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -61.5 -39.16 89.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.802 0.841 . . . . 0.0 112.764 174.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -67.39 -50.33 60.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.133 -0.98 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.03 -31.75 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.634 1.174 . . . . 0.0 112.44 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.03 -22.48 60.63 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.083 . . . . 0.0 113.752 171.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.92 -42.91 5.54 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.845 1.212 . . . . 0.0 114.589 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 165.49 25.06 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.65 1.18 . . . . 0.0 113.154 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 177.08 4.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.821 1.248 . . . . 0.0 113.743 -173.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -58.0 -28.98 64.91 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -67.0 -34.75 78.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.078 0.951 . . . . 0.0 112.378 172.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.52 -35.23 53.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.929 1.291 . . . . 0.0 112.076 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.28 -45.21 89.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.34 0.656 . . . . 0.0 110.776 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.9 72.22 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.211 -0.93 . . . . 0.0 113.155 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.09 -17.98 63.93 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.84 -30.5 6.73 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.62 -36.43 62.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.994 1.318 . . . . 0.0 112.261 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.72 -120.88 20.86 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.924 1.25 . . . . 0.0 112.736 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.03 -24.68 66.36 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -87.99 3.74 47.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.779 1.232 . . . . 0.0 113.322 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.18 142.88 58.22 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.308 -0.87 . . . . 0.0 111.796 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 123.944 0.898 . . . . 0.0 113.115 -171.02 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -70.74 -47.06 61.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.111 1.764 . . . . 0.0 110.876 -176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -57.99 -51.72 68.51 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.97 -37.28 84.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -76.9 -53.72 7.51 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.737 0.815 . . . . 0.0 112.026 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.24 -36.81 85.29 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.197 -0.939 . . . . 0.0 112.888 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.3 t -62.44 -32.35 73.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.614 0.765 . . . . 0.0 112.65 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -76.02 -47.58 24.26 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.062 -1.024 . . . . 0.0 110.837 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.6 -23.19 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -73.35 -32.79 64.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.006 -1.684 . . . . 0.0 112.873 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -79.09 -37.77 37.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.393 1.477 . . . . 0.0 113.4 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.9 144.6 56.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.54 1.136 . . . . 0.0 112.29 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -71.03 159.41 34.79 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.289 1.435 . . . . 0.0 112.136 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -43.47 -52.96 5.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.003 1.721 . . . . 0.0 112.233 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -67.03 -35.76 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.632 1.173 . . . . 0.0 112.786 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.21 -40.57 86.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.205 1.002 . . . . 0.0 112.097 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.23 -44.22 88.95 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.097 0.959 . . . . 0.0 111.78 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -58.25 -36.9 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.742 0.817 . . . . 0.0 112.301 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.97 -50.24 17.32 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -34.88 78.7 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 120.924 -1.11 . . . . 0.0 112.472 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.05 77.88 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.028 0.931 . . . . 0.0 112.563 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.418 -0.802 . . . . 0.0 110.734 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -55.52 -51.31 67.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.373 1.069 . . . . 0.0 112.982 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.83 -24.37 64.37 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -75.55 -41.63 54.37 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.805 1.242 . . . . 0.0 111.996 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.56 -33.4 74.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.39 1.076 . . . . 0.0 112.468 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.043 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -35.58 80.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.798 1.239 . . . . 0.0 112.063 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 26.3 t -63.19 -35.03 78.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.805 0.842 . . . . 0.0 112.358 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -72.48 -48.62 39.33 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.154 -0.967 . . . . 0.0 111.784 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.44 -32.02 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.431 1.092 . . . . 0.0 113.017 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -72.63 -20.79 61.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.475 1.11 . . . . 0.0 113.878 172.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.37 -32.5 6.97 Favored Glycine 0 CA--C 1.543 1.823 0 C-N-CA 124.324 0.964 . . . . 0.0 114.918 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.08 179.98 4.7 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.181 1.392 . . . . 0.0 113.819 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.68 175.01 9.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.837 1.255 . . . . 0.0 113.172 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.92 -28.33 67.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -171.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.65 -33.57 76.2 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.185 -0.947 . . . . 0.0 112.443 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -74.89 -36.16 62.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.104 . . . . 0.0 111.833 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.73 -46.55 84.89 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.31 0.644 . . . . 0.0 111.274 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.71 -31.32 71.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.82 -21.37 63.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -28.64 7.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -75.1 -34.36 61.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.64 1.176 . . . . 0.0 111.601 168.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.06 -132.51 42.92 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.921 1.248 . . . . 0.0 113.353 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -65.93 -16.89 64.27 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.046 0.938 . . . . 0.0 113.332 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -96.24 11.53 34.19 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.604 1.562 . . . . 0.0 113.321 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -57.45 153.52 12.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.999 1.32 . . . . 0.0 112.344 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.7 tp . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 124.256 1.022 . . . . 0.0 112.566 -173.407 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -73.21 -53.57 10.6 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.397 1.879 . . . . 0.0 110.287 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.88 -47.39 85.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.829 0.852 . . . . 0.0 112.869 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.59 -49.05 67.63 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.681 -0.637 . . . . 0.0 112.155 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -64.75 -44.53 89.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.807 0.843 . . . . 0.0 112.329 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.23 -34.1 76.74 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.31 -0.869 . . . . 0.0 112.297 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 23.7 t -66.03 -44.3 85.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.326 0.65 . . . . 0.0 111.516 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -56.22 -48.5 76.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.631 1.105 . . . . 0.0 111.165 173.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.43 -23.87 63.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 42.8 t -70.18 -40.24 74.77 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.005 -1.059 . . . . 0.0 111.877 167.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -75.14 -41.59 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.646 1.578 . . . . 0.0 114.86 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.63 156.39 35.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 113.066 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.2 t -70.76 155.89 40.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.965 1.306 . . . . 0.0 112.739 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.41 -37.78 57.45 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.104 1.362 . . . . 0.0 112.307 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -66.55 -40.41 89.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.796 0.838 . . . . 0.0 112.599 174.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.03 -38.87 83.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.016 0.926 . . . . 0.0 112.323 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.73 -41.03 94.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.283 1.433 . . . . 0.0 112.085 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.51 -47.29 84.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.535 0.607 . . . . 0.0 111.335 169.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.43 76.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.28 -38.47 90.36 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.17 0.896 . . . . 0.0 111.233 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.68 92.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.982 0.913 . . . . 0.0 111.738 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -46.5 89.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.218 1.007 . . . . 0.0 111.194 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.58 -47.86 81.97 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.334 -0.854 . . . . 0.0 112.741 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.45 -23.2 62.67 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.518 1.054 . . . . 0.0 113.512 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -73.82 -40.69 63.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.864 1.266 . . . . 0.0 112.187 171.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -69.2 -28.33 66.29 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.036 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.59 -35.91 82.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.198 1.363 . . . . 0.0 111.618 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 m -76.23 -39.17 55.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.081 0.953 . . . . 0.0 112.337 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -65.55 -47.54 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.51 0.724 . . . . 0.0 112.678 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.51 -25.2 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.1 1.36 . . . . 0.0 113.086 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.91 -18.89 35.86 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.039 -1.038 . . . . 0.0 113.792 171.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.71 -36.01 8.86 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.926 1.251 . . . . 0.0 114.419 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.7 173.39 9.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.299 1.44 . . . . 0.0 112.999 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 173.54 6.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.27 1.028 . . . . 0.0 113.507 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.21 -28.51 68.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.322 1.049 . . . . 0.0 113.587 -173.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 112.431 173.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -76.54 -36.92 57.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 111.566 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.99 -47.83 84.22 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.065 0.546 . . . . 0.0 110.82 170.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.42 80.42 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.96 92.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.56 -29.03 18.09 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.97 -39.35 56.15 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.613 1.165 . . . . 0.0 112.086 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.93 -126.54 37.02 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 112.904 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.84 -26.16 67.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.438 1.095 . . . . 0.0 113.131 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -80.89 1.08 32.38 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.925 1.29 . . . . 0.0 113.712 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.6 148.82 36.9 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.156 -0.965 . . . . 0.0 111.862 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 124.109 0.963 . . . . 0.0 112.844 -171.771 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -67.34 -50.21 60.88 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.791 1.636 . . . . 0.0 111.582 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -61.8 -51.36 68.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.492 0.717 . . . . 0.0 112.478 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -63.43 -48.6 77.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 112.496 -173.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.29 -51.8 58.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.774 . . . . 0.0 111.935 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -37.77 88.63 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.48 -0.762 . . . . 0.0 112.388 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -63.73 -48.22 77.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.542 0.737 . . . . 0.0 112.015 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.49 -38.93 85.11 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.432 -0.793 . . . . 0.0 112.728 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.5 -29.32 69.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.144 0.884 . . . . 0.0 112.686 174.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.0 -23.11 62.12 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -82.03 -38.18 25.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 113.528 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.0 152.85 42.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.752 1.221 . . . . 0.0 113.224 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -70.65 160.79 31.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.144 1.377 . . . . 0.0 113.002 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -55.09 -41.0 71.04 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.931 1.292 . . . . 0.0 111.851 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -65.6 -40.74 93.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.293 0.637 . . . . 0.0 112.631 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.57 -38.38 80.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.164 0.985 . . . . 0.0 112.549 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.7 -40.51 95.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.727 1.211 . . . . 0.0 111.976 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.0 mtm -63.06 -45.2 93.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.971 0.351 . . . . 0.0 111.669 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.45 71.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.19 -36.83 84.1 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.134 -0.979 . . . . 0.0 111.346 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.78 89.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.071 0.949 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.69 -48.32 79.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.559 0.744 . . . . 0.0 110.945 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.24 -46.23 89.79 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.34 -27.54 67.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.344 0.975 . . . . 0.0 113.119 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -73.74 -38.1 64.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.094 0.958 . . . . 0.0 112.765 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -71.65 -34.14 69.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.617 0.767 . . . . 0.0 112.644 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.156 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.515 0.197 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.94 -42.87 99.6 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 110.682 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -62.61 -40.04 95.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.066 1.346 . . . . 0.0 112.141 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.01 -46.68 73.76 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.126 -0.984 . . . . 0.0 111.999 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.75 -28.06 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.304 1.042 . . . . 0.0 112.457 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.7 -25.11 44.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.439 -1.413 . . . . 0.0 114.57 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.53 -36.62 29.41 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.228 0.918 . . . . 0.0 114.129 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.01 171.42 15.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.389 1.476 . . . . 0.0 112.895 174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.91 177.04 5.46 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.024 1.33 . . . . 0.0 113.626 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -58.93 -29.25 66.96 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.21 -34.84 78.93 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.369 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.31 -34.64 55.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.28 -48.06 83.16 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.462 0.705 . . . . 0.0 110.409 170.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.44 71.26 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.71 65.12 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.06 -29.71 10.72 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.33 -37.27 68.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.887 1.275 . . . . 0.0 111.743 169.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.93 -129.79 38.66 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.129 0.871 . . . . 0.0 112.502 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -64.34 -19.2 65.3 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.35 7.4 22.56 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.607 1.163 . . . . 0.0 114.007 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.22 155.81 16.73 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.884 -1.135 . . . . 0.0 112.376 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 N--CA 1.474 0.733 0 C-N-CA 124.618 1.167 . . . . 0.0 113.203 -172.316 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -76.75 -39.47 51.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.529 1.132 . . . . 0.0 112.934 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -72.41 -44.57 62.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.711 0.804 . . . . 0.0 112.291 -173.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -66.3 -28.88 69.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.33 1.052 . . . . 0.0 112.559 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -77.51 -52.13 9.57 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.969 1.308 . . . . 0.0 111.864 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.64 -36.96 84.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.942 0.897 . . . . 0.0 112.953 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 89.8 p -70.13 -19.78 63.2 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -77.47 -49.46 14.73 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.855 -1.153 . . . . 0.0 111.157 161.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -30.98 66.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.373 1.069 . . . . 0.0 113.408 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 93.0 p -68.41 -34.35 75.85 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.399 0.999 . . . . 0.0 113.547 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -81.09 -36.62 30.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.76 1.624 . . . . 0.0 113.361 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.38 149.33 50.17 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.698 1.199 . . . . 0.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 45.3 t -72.61 156.46 38.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.986 1.314 . . . . 0.0 111.955 176.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -56.05 -35.89 67.42 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.992 -1.068 . . . . 0.0 112.841 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -62.85 -41.17 99.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.564 0.746 . . . . 0.0 112.053 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.21 -38.29 81.77 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.583 0.753 . . . . 0.0 111.991 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.58 -43.58 98.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.771 0.714 . . . . 0.0 112.25 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.23 -41.72 97.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.331 0.514 . . . . 0.0 111.463 173.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.83 -56.76 10.23 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.06 -37.28 82.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.181 0.901 . . . . 0.0 112.265 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.15 93.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.053 0.941 . . . . 0.0 112.213 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -42.22 75.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.405 -0.81 . . . . 0.0 110.756 175.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -57.36 -53.17 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.377 -0.827 . . . . 0.0 112.363 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.99 -27.88 66.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -74.17 -38.0 63.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.686 1.194 . . . . 0.0 112.351 174.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.76 -41.86 67.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.132 0.973 . . . . 0.0 112.061 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.912 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 . . . . . 0 CA--C 1.539 0.549 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.14 -55.96 13.8 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.314 0.961 . . . . 0.0 110.831 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.3 m -65.35 -28.78 69.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.764 0.826 . . . . 0.0 112.836 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -64.7 -53.33 48.92 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.091 0.956 . . . . 0.0 111.621 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -70.15 -29.56 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.918 1.287 . . . . 0.0 112.986 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -25.04 61.49 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.804 -1.185 . . . . 0.0 113.341 172.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.76 -35.92 27.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.977 0.798 . . . . 0.0 114.64 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.56 176.23 9.97 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.72 1.608 . . . . 0.0 112.99 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.56 178.53 6.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.04 1.336 . . . . 0.0 113.295 -177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -59.46 -28.94 67.44 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.01 -35.04 79.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.26 -0.9 . . . . 0.0 112.557 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.11 -38.64 51.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.542 1.137 . . . . 0.0 111.804 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.67 -45.47 94.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.226 0.61 . . . . 0.0 110.95 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 -33.58 75.79 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.84 78.91 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.491 -0.756 . . . . 0.0 112.914 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -29.45 25.83 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -79.51 -40.33 29.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.089 0.955 . . . . 0.0 112.0 169.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.0 -117.05 9.74 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.483 1.04 . . . . 0.0 113.38 174.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -35.93 60.8 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.486 1.514 . . . . 0.0 112.75 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -92.5 12.33 23.28 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.865 1.266 . . . . 0.0 114.333 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.92 147.97 48.8 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.678 -1.263 . . . . 0.0 112.182 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 124.554 1.142 . . . . 0.0 113.311 -171.621 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -66.86 -48.87 67.48 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.796 1.239 . . . . 0.0 112.934 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.5 -29.91 46.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.517 0.727 . . . . 0.0 112.175 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -62.87 -46.86 85.88 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.495 1.043 . . . . 0.0 112.325 173.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -63.4 -47.44 81.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.581 0.753 . . . . 0.0 111.596 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.65 -34.05 75.04 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.67 0.788 . . . . 0.0 112.885 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.4 t -66.18 -27.92 68.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.426 1.49 . . . . 0.0 114.087 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -77.71 -47.3 19.46 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.676 -1.265 . . . . 0.0 110.864 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.45 -39.38 67.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.107 1.363 . . . . 0.0 113.048 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.4 p -69.46 -27.41 65.21 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -83.95 -39.07 20.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.227 1.411 . . . . 0.0 113.575 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.87 149.6 49.22 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.359 1.064 . . . . 0.0 112.756 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.5 t -68.57 160.06 30.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.878 1.271 . . . . 0.0 112.18 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -58.33 -38.14 76.54 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.944 -1.097 . . . . 0.0 112.432 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -60.21 -42.06 94.35 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.25 -0.906 . . . . 0.0 112.497 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.13 -42.2 80.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.794 0.837 . . . . 0.0 112.049 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.02 -44.3 91.71 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.627 1.171 . . . . 0.0 111.54 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.2 mtm -61.78 -45.99 91.49 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.5 84.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.75 -40.14 79.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.013 0.824 . . . . 0.0 111.397 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.31 86.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.428 1.091 . . . . 0.0 112.172 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.18 -44.3 88.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.978 0.808 . . . . 0.0 111.053 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.34 -44.34 97.35 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.946 0.898 . . . . 0.0 113.121 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.26 -23.82 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.57 -37.61 65.47 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.672 1.189 . . . . 0.0 111.707 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.11 -38.19 90.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.044 1.338 . . . . 0.0 112.462 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.644 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.22 -40.47 90.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.451 1.101 . . . . 0.0 111.427 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.8 m -65.89 -33.07 75.0 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.985 0.914 . . . . 0.0 112.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -76.24 -44.9 35.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.348 0.522 . . . . 0.0 111.991 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.409 HD13 HD21 ' B' ' 118' ' ' LEU . 25.7 mm -63.52 -31.99 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.358 1.063 . . . . 0.0 112.962 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -69.74 -29.18 66.48 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.21 -35.12 11.25 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.524 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.409 HD21 HD13 ' B' ' 115' ' ' ILE . 2.5 pp -75.74 178.59 6.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.828 1.251 . . . . 0.0 113.844 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 175.86 8.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.767 1.227 . . . . 0.0 113.145 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -59.19 -29.26 67.34 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -64.86 -33.76 76.77 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 174.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -77.18 -33.47 56.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.632 1.173 . . . . 0.0 111.996 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.06 -49.19 73.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.092 0.557 . . . . 0.0 110.87 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.42 68.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.39 63.76 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.4 -26.96 8.47 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.22 -35.82 58.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.353 1.061 . . . . 0.0 111.831 170.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.18 -129.05 45.42 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.846 0.736 . . . . 0.0 112.439 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.46 -24.61 65.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.674 1.19 . . . . 0.0 113.466 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -84.31 1.85 43.0 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.809 1.244 . . . . 0.0 114.195 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.75 146.06 53.34 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.086 -1.009 . . . . 0.0 111.932 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 tp . . . . . 0 CA--C 1.55 0.952 0 C-N-CA 124.123 0.969 . . . . 0.0 112.571 -173.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -70.63 -41.55 72.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.98 0.912 . . . . 0.0 112.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.39 -43.54 85.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.237 0.615 . . . . 0.0 112.003 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.89 -51.74 63.15 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.237 1.015 . . . . 0.0 112.443 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.58 -47.47 69.68 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.377 0.671 . . . . 0.0 111.895 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -66.47 -36.51 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.166 -0.959 . . . . 0.0 112.39 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 37.8 t -66.96 -41.08 87.51 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.628 0.649 . . . . 0.0 112.081 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.506 -0.746 . . . . 0.0 111.484 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.94 -25.0 66.13 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 43.4 t -68.59 -35.56 77.53 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.833 -1.167 . . . . 0.0 112.424 171.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -70.85 -43.53 68.28 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.778 1.231 . . . . 0.0 113.336 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.09 154.64 40.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.194 1.397 . . . . 0.0 112.739 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 55.1 p -74.6 164.93 26.01 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.891 -1.13 . . . . 0.0 112.783 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -54.07 -43.47 70.3 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.019 -1.05 . . . . 0.0 111.827 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.12 -40.98 99.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.971 0.909 . . . . 0.0 112.151 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.99 -41.24 95.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.557 0.743 . . . . 0.0 112.408 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.3 -41.53 97.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.347 1.059 . . . . 0.0 112.296 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.1 mtm -62.61 -40.88 98.37 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.422 0.556 . . . . 0.0 112.04 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.19 61.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.86 -38.62 91.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.014 0.824 . . . . 0.0 111.643 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.72 82.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.898 0.879 . . . . 0.0 112.384 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.51 -48.22 80.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.129 0.972 . . . . 0.0 110.936 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -55.97 -52.3 64.64 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.839 1.255 . . . . 0.0 113.075 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.34 -23.67 63.8 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -76.78 -40.29 48.68 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.644 1.111 . . . . 0.0 113.001 168.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.55 -36.96 84.28 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.755 0.822 . . . . 0.0 112.086 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 177.484 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.71 -35.43 76.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.267 1.027 . . . . 0.0 111.8 -177.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 t -64.91 -38.92 92.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.046 0.938 . . . . 0.0 112.137 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.28 -48.42 61.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.594 -0.691 . . . . 0.0 111.643 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -63.96 -31.79 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.131 1.372 . . . . 0.0 113.225 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -78.69 -20.79 49.32 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.182 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.67 -36.45 9.4 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.432 1.015 . . . . 0.0 114.479 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.15 174.86 7.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.183 1.393 . . . . 0.0 113.1 176.144 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.57 175.72 7.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.218 1.407 . . . . 0.0 113.609 -178.125 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -60.88 -27.11 67.9 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -65.32 -31.82 73.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.903 0.881 . . . . 0.0 113.086 170.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -79.34 -36.41 39.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.289 1.036 . . . . 0.0 111.326 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.23 -47.78 78.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.634 0.773 . . . . 0.0 111.085 174.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.86 71.6 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.145 -0.972 . . . . 0.0 112.957 176.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.98 -19.33 63.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.796 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.44 -28.03 8.74 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.53 1.059 . . . . 0.0 113.744 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.57 -39.67 64.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.89 1.276 . . . . 0.0 112.097 171.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.82 -124.83 36.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.661 1.124 . . . . 0.0 112.527 172.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.12 -32.51 69.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.775 1.23 . . . . 0.0 113.496 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.2 6.2 30.61 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.19 157.81 1.76 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.707 1.603 . . . . 0.0 114.418 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 CA--C 1.543 0.685 0 O-C-N 121.057 -1.027 . . . . 0.0 112.749 -176.461 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.91 -39.64 83.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.157 1.383 . . . . 0.0 112.772 177.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.29 -44.68 78.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 111.301 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.83 -45.6 88.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.011 0.925 . . . . 0.0 112.563 176.094 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.71 -50.77 71.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.962 0.905 . . . . 0.0 111.488 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.64 -39.65 85.06 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.858 0.863 . . . . 0.0 112.267 176.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.2 m -66.86 -26.69 67.02 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -78.94 -50.55 10.99 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.238 0.926 . . . . 0.0 111.184 170.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.45 -27.82 67.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -67.87 -41.23 83.15 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.861 1.21 . . . . 0.0 113.323 173.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -81.01 -28.41 35.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.12 145.87 49.45 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.964 0.802 . . . . 0.0 112.114 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.8 t -64.79 152.87 41.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 176.051 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -57.14 -31.55 65.46 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.943 -1.098 . . . . 0.0 111.991 173.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.91 -42.66 97.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.741 0.816 . . . . 0.0 112.267 172.189 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.89 -36.73 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.858 0.863 . . . . 0.0 112.163 173.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.56 -43.76 98.01 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.203 0.911 . . . . 0.0 112.793 173.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 50.7 mtm -59.3 -43.97 92.58 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.507 0.594 . . . . 0.0 111.7 172.053 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.02 63.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.404 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.34 -42.39 98.93 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.545 1.066 . . . . 0.0 111.818 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.81 89.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.675 0.79 . . . . 0.0 111.245 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.02 -51.64 63.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.241 1.016 . . . . 0.0 111.159 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -56.34 -52.25 65.24 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.865 0.757 . . . . 0.0 112.714 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.06 -24.46 65.07 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -77.74 -45.08 25.73 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.811 0.844 . . . . 0.0 112.233 168.002 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -64.64 -34.59 78.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.922 0.889 . . . . 0.0 112.358 -175.266 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 174.734 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -29.37 70.09 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.219 -0.926 . . . . 0.0 112.486 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 -38.84 27.7 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.804 1.242 . . . . 0.0 112.06 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.93 -42.73 99.44 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.137 0.975 . . . . 0.0 111.979 176.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.6 mm -66.77 -24.82 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 124.755 1.222 . . . . 0.0 113.543 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.04 -25.04 34.97 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 167.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.84 -32.35 45.64 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.264 -0.898 . . . . 0.0 114.708 -178.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.68 -178.94 4.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.973 1.709 . . . . 0.0 113.544 175.254 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 173.28 11.07 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.003 1.321 . . . . 0.0 113.388 176.579 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -59.53 -28.2 66.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.68 -31.39 72.03 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.35 -35.68 63.6 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.385 1.074 . . . . 0.0 112.031 173.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.52 -46.07 81.05 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.741 0.816 . . . . 0.0 110.694 172.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.86 70.28 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.24 -0.913 . . . . 0.0 112.866 175.204 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.21 -17.12 63.75 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 177.004 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.81 -28.56 6.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.627 1.171 . . . . 0.0 114.132 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.47 -38.94 65.26 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.51 1.124 . . . . 0.0 111.429 169.638 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.16 35.05 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.444 1.021 . . . . 0.0 113.244 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -61.88 -21.83 65.03 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.92 6.25 42.84 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.283 1.833 . . . . 0.0 113.069 177.606 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.99 147.0 40.54 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.161 -0.962 . . . . 0.0 112.093 173.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -168.876 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.27 -36.81 74.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.05 0.94 . . . . 0.0 113.124 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.34 -42.67 74.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.998 0.919 . . . . 0.0 111.209 177.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -65.17 -40.57 94.49 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.89 -52.05 47.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.56 1.144 . . . . 0.0 111.594 177.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.87 -37.01 82.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.54 0.736 . . . . 0.0 112.746 176.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.3 t -58.0 -43.86 86.88 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.05 0.94 . . . . 0.0 111.931 176.015 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -72.0 -47.03 54.88 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.106 -0.996 . . . . 0.0 111.839 176.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.03 -37.57 83.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.766 0.827 . . . . 0.0 112.718 -178.336 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 98.8 p -66.54 -29.45 69.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -91.31 -30.88 16.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.473 1.509 . . . . 0.0 114.222 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.17 157.72 24.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.81 1.244 . . . . 0.0 112.807 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 153.82 42.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.994 0.918 . . . . 0.0 112.528 177.21 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -54.46 -36.8 64.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.23 1.412 . . . . 0.0 111.949 167.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -68.09 -43.73 77.85 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.63 -0.669 . . . . 0.0 112.265 174.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.67 -37.09 86.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.287 1.035 . . . . 0.0 112.352 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.34 -43.05 96.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.653 1.181 . . . . 0.0 113.026 175.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.3 -46.45 88.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.857 1.208 . . . . 0.0 111.534 172.052 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.69 -44.16 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.56 -40.68 96.01 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.088 0.858 . . . . 0.0 111.059 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.33 88.49 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.501 178.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.71 -47.37 84.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.525 0.73 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.47 -49.72 76.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.655 0.782 . . . . 0.0 112.665 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.96 -23.19 60.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -76.76 -34.95 58.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.974 0.91 . . . . 0.0 112.099 172.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -69.32 -35.88 76.4 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.779 0.831 . . . . 0.0 113.063 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.685 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.36 -43.25 98.19 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.113 175.137 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -63.46 -31.79 73.04 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.275 1.03 . . . . 0.0 112.997 175.453 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.64 -47.46 69.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.041 -1.037 . . . . 0.0 111.538 173.121 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -66.35 -32.48 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.878 1.271 . . . . 0.0 112.777 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.33 -25.27 61.49 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.975 -1.078 . . . . 0.0 113.176 171.125 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.3 -37.46 8.98 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.806 1.193 . . . . 0.0 115.49 -176.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.69 169.95 13.35 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.349 175.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 172.7 7.01 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.668 1.187 . . . . 0.0 113.835 -177.427 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -62.65 -24.21 67.5 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -177.085 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.49 -32.74 74.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.942 0.792 . . . . 0.0 112.63 169.501 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.53 -38.84 54.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.094 0.958 . . . . 0.0 111.207 174.086 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.31 -46.33 89.23 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 111.428 174.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.93 74.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.373 -0.829 . . . . 0.0 113.08 176.047 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -35.45 79.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 176.629 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.29 -27.91 16.53 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -177.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.99 -40.27 39.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.65 1.18 . . . . 0.0 112.527 171.241 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 -122.59 30.37 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.167 0.889 . . . . 0.0 112.876 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -60.24 -30.53 69.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -83.86 3.87 31.89 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.744 1.218 . . . . 0.0 113.077 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -57.68 147.28 28.09 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.783 0.833 . . . . 0.0 113.206 177.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tp . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 124.56 1.144 . . . . 0.0 112.988 -173.571 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -36.77 85.41 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.191 0.996 . . . . 0.0 113.243 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -73.11 -48.22 37.55 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.238 1.015 . . . . 0.0 111.651 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.12 -46.43 90.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.754 0.822 . . . . 0.0 111.436 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.14 -56.13 24.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.262 1.025 . . . . 0.0 111.557 -179.536 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.4 -39.03 85.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.667 0.667 . . . . 0.0 112.559 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.1 m -64.67 -47.46 78.34 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.784 -0.573 . . . . 0.0 112.268 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -70.41 -41.02 73.51 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.284 0.947 . . . . 0.0 113.027 178.04 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.47 -30.9 65.43 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.735 1.152 . . . . 0.0 112.246 178.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -66.63 -33.35 75.47 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.368 -0.832 . . . . 0.0 113.143 174.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.12 -23.86 21.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.884 1.274 . . . . 0.0 113.712 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.3 153.16 35.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.826 0.851 . . . . 0.0 111.374 171.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -66.79 153.83 42.36 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.486 1.115 . . . . 0.0 112.417 175.824 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.84 -34.11 39.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.685 1.594 . . . . 0.0 111.96 166.339 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -70.07 -44.28 69.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.742 1.217 . . . . 0.0 112.738 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.97 -35.96 81.13 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.201 1.0 . . . . 0.0 112.515 176.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.68 -45.91 90.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.967 0.907 . . . . 0.0 112.02 174.109 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.0 mtm -60.06 -44.27 94.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 171.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.96 76.14 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -35.84 78.67 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.367 -0.833 . . . . 0.0 111.943 178.32 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.0 89.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.706 0.802 . . . . 0.0 112.292 174.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.96 -40.7 97.01 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.308 -0.87 . . . . 0.0 111.052 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -56.53 -53.15 60.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.145 0.978 . . . . 0.0 112.832 172.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.34 -22.84 62.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.58 -36.66 63.05 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.849 1.26 . . . . 0.0 112.477 171.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.8 -32.69 72.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.459 1.104 . . . . 0.0 113.044 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.684 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -43.31 98.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.385 0.674 . . . . 0.0 111.248 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 21.9 m -66.39 -35.8 81.23 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.789 0.836 . . . . 0.0 112.618 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.96 -50.13 69.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.596 0.759 . . . . 0.0 111.679 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.69 -28.35 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.98 1.312 . . . . 0.0 113.161 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -76.15 -28.16 57.27 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.009 -1.057 . . . . 0.0 113.261 170.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.42 -38.0 26.17 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.42 1.009 . . . . 0.0 114.441 -177.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.55 175.15 7.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.505 1.522 . . . . 0.0 113.234 175.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 173.79 7.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.918 1.287 . . . . 0.0 113.561 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.53 -28.14 68.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -66.7 -35.36 79.95 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.294 1.038 . . . . 0.0 112.144 173.469 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.73 -37.14 67.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.755 0.822 . . . . 0.0 111.733 173.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.65 -46.94 87.6 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.627 -0.671 . . . . 0.0 110.995 172.153 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.24 -32.4 72.19 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.148 0.885 . . . . 0.0 113.323 175.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.09 78.94 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 175.105 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.15 -30.5 15.92 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -177.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.67 -36.64 57.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.85 1.26 . . . . 0.0 111.573 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.08 -130.0 38.38 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.352 0.977 . . . . 0.0 112.615 177.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.4 -23.62 66.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.36 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -80.81 1.24 31.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.225 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -58.13 145.21 37.66 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.262 -0.899 . . . . 0.0 111.547 173.021 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.8 tp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.035 0.934 . . . . 0.0 113.397 -166.689 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.6 -59.24 2.82 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.364 1.465 . . . . 0.0 111.725 -168.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.08 -31.42 69.01 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -174.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.38 -46.79 72.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 112.379 174.473 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.13 -43.7 73.84 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.13 0.972 . . . . 0.0 111.79 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.09 -39.54 92.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.817 0.847 . . . . 0.0 112.114 175.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.6 t -62.44 -51.28 68.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.204 0.601 . . . . 0.0 111.004 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -57.24 -45.77 83.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.606 0.762 . . . . 0.0 112.371 -179.02 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.33 -19.15 62.34 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 25.9 t -73.66 -43.33 59.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.156 -1.59 . . . . 0.0 110.968 166.08 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -71.52 -38.98 71.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.391 1.876 . . . . 0.0 114.58 -177.123 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.09 157.13 35.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.428 1.091 . . . . 0.0 112.393 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 20.2 m -72.16 152.33 42.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.242 1.017 . . . . 0.0 111.672 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.34 -30.38 66.67 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.777 -1.202 . . . . 0.0 113.345 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -65.73 -41.25 92.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.751 1.22 . . . . 0.0 112.583 171.344 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.24 -40.15 82.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.501 1.12 . . . . 0.0 111.824 176.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.11 -45.81 79.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.366 1.066 . . . . 0.0 112.236 172.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 60.5 mtm -62.29 -43.42 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.678 0.672 . . . . 0.0 112.279 174.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.09 69.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.47 -38.17 86.72 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.62 78.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.872 0.869 . . . . 0.0 112.769 177.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -48.38 59.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.635 0.774 . . . . 0.0 110.251 174.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.2 -49.31 78.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.18 -27.4 67.98 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.178 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -80.35 -32.82 37.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.626 1.57 . . . . 0.0 112.672 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.36 -38.35 63.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.923 0.889 . . . . 0.0 112.449 176.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -178.99 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.68 -41.57 99.17 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.248 -0.907 . . . . 0.0 110.531 170.252 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -66.91 -33.41 75.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.018 0.927 . . . . 0.0 112.796 175.674 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.49 -47.9 68.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.856 0.862 . . . . 0.0 112.085 173.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -65.14 -31.13 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.807 1.243 . . . . 0.0 112.628 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.34 -28.21 67.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.435 1.094 . . . . 0.0 113.687 168.559 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.12 52.72 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.464 1.031 . . . . 0.0 115.479 -174.354 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -101.04 -179.1 3.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.762 1.625 . . . . 0.0 114.239 -174.393 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.8 175.22 8.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.334 1.454 . . . . 0.0 113.097 -176.468 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.85 -29.79 67.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -171.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.96 -32.1 73.12 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.669 -0.644 . . . . 0.0 112.624 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -79.78 -27.66 40.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 112.013 175.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.33 -48.16 62.26 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 111.065 169.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.66 67.09 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 0.0 113.258 177.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -17.41 64.45 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -121.65 -25.78 5.03 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.3 -36.34 74.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.786 1.234 . . . . 0.0 112.128 171.016 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.52 -123.09 29.08 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.915 1.245 . . . . 0.0 114.009 171.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.0 -25.08 67.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.392 1.477 . . . . 0.0 113.168 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -97.51 12.64 32.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.451 1.5 . . . . 0.0 113.672 179.135 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.27 149.54 28.41 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.263 -0.898 . . . . 0.0 111.514 169.246 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 113.161 -173.26 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -71.43 -41.21 69.79 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.619 1.168 . . . . 0.0 111.623 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.07 -42.5 72.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.61 1.164 . . . . 0.0 112.034 -178.322 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -63.25 -51.51 65.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.986 0.515 . . . . 0.0 111.675 177.334 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.76 -43.97 91.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.6 tp -65.73 -40.33 92.06 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.073 -1.017 . . . . 0.0 112.443 176.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -63.06 -43.24 99.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.48 0.712 . . . . 0.0 111.699 173.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -57.66 -47.14 83.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.685 1.194 . . . . 0.0 111.749 174.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.06 -25.51 62.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 p -71.03 -38.06 72.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.372 1.442 . . . . 0.0 112.509 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -65.13 -48.23 74.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.075 2.15 . . . . 0.0 113.012 173.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.66 150.36 48.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 112.656 -175.123 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.7 t -68.89 158.27 34.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.493 1.517 . . . . 0.0 112.963 177.383 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -50.03 -40.56 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.312 1.445 . . . . 0.0 112.273 170.069 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -68.08 -39.36 82.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.324 1.05 . . . . 0.0 112.671 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.51 -39.61 81.15 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.938 0.895 . . . . 0.0 112.458 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.97 -40.48 93.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.589 1.156 . . . . 0.0 112.605 173.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 68.6 mtm -60.92 -45.73 93.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.904 0.774 . . . . 0.0 111.957 170.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.65 65.39 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.86 -37.32 86.97 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.43 1.014 . . . . 0.0 111.925 179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.4 72.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.137 0.975 . . . . 0.0 112.037 176.403 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -43.44 98.84 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.568 0.747 . . . . 0.0 110.383 177.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -57.05 -56.98 14.79 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.445 1.098 . . . . 0.0 112.74 174.039 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.47 -27.02 67.47 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -176.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.3 -46.39 60.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.356 1.462 . . . . 0.0 111.831 171.101 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -68.17 -38.34 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.735 0.814 . . . . 0.0 112.222 -174.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.179 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -38.38 88.04 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.489 1.041 . . . . 0.0 111.378 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -69.24 -37.55 78.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.654 0.782 . . . . 0.0 112.437 175.365 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.95 -53.45 17.75 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.398 -0.814 . . . . 0.0 112.701 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -61.45 -27.41 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.992 1.717 . . . . 0.0 113.388 -174.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -74.84 -21.85 59.03 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 121.172 -0.955 . . . . 0.0 113.471 172.064 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.1 -42.77 4.57 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.764 1.173 . . . . 0.0 114.44 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -74.3 163.64 27.57 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 113.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.03 175.14 5.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.561 1.144 . . . . 0.0 113.557 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -58.65 -29.18 66.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -178.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.25 -34.0 76.52 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.318 1.047 . . . . 0.0 112.45 173.037 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -77.79 -32.13 52.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.696 1.199 . . . . 0.0 111.706 175.6 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.48 -47.14 77.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.43 0.692 . . . . 0.0 110.869 169.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.22 70.12 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.346 -0.846 . . . . 0.0 113.255 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.14 64.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 pp -119.91 -25.27 5.87 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.466 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.02 -34.64 66.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.138 0.975 . . . . 0.0 112.368 170.338 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.61 -123.9 33.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.893 1.235 . . . . 0.0 113.183 174.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.65 -21.79 65.96 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.77 1.228 . . . . 0.0 113.62 179.04 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -89.06 1.25 55.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 113.907 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.45 148.74 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.962 -1.086 . . . . 0.0 112.792 178.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 CA--C 1.547 0.833 0 O-C-N 121.243 -0.91 . . . . 0.0 112.765 -174.132 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -72.14 -49.26 37.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.325 1.45 . . . . 0.0 111.056 -175.708 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.41 -36.11 82.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 178.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.05 -55.69 11.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.995 0.816 . . . . 0.0 111.575 173.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -62.75 -45.47 92.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.041 0.936 . . . . 0.0 112.653 -174.603 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.97 -40.33 87.43 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.282 -0.886 . . . . 0.0 112.876 178.153 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 26.9 t -59.49 -46.8 87.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.913 0.885 . . . . 0.0 111.973 173.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -63.51 -49.6 72.89 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.906 1.683 . . . . 0.0 111.721 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.84 -31.62 72.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.099 0.959 . . . . 0.0 112.736 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 14.3 p -70.36 -30.33 67.24 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.506 1.503 . . . . 0.0 113.589 173.452 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -87.02 -31.99 20.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 113.753 -178.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.27 152.36 45.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.264 1.026 . . . . 0.0 112.764 175.457 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.0 t -69.38 156.57 38.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.355 1.462 . . . . 0.0 112.541 178.476 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -53.68 -36.74 62.49 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.849 1.26 . . . . 0.0 112.19 169.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -68.94 -43.52 74.91 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.501 0.72 . . . . 0.0 112.486 175.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.82 -41.18 95.96 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.129 0.972 . . . . 0.0 111.576 176.436 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.66 -45.05 95.59 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.524 1.13 . . . . 0.0 112.319 176.012 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 69.4 mtm -60.65 -41.05 94.17 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.548 0.613 . . . . 0.0 111.851 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.97 56.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.62 -35.42 80.75 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.034 0.834 . . . . 0.0 111.552 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.02 84.79 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.5 0.72 . . . . 0.0 112.072 173.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.21 -43.41 98.89 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.134 -0.979 . . . . 0.0 111.057 176.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -61.84 -46.07 91.05 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.964 0.906 . . . . 0.0 112.501 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.0 -23.62 63.17 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.32 0.964 . . . . 0.0 113.135 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -76.83 -32.81 57.82 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.376 1.47 . . . . 0.0 113.007 171.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -74.32 -36.16 63.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.717 1.207 . . . . 0.0 112.854 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 179.614 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.77 -54.2 30.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.072 0.949 . . . . 0.0 110.859 177.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.3 m -67.28 -24.57 65.79 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.58 -51.45 59.63 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.842 0.746 . . . . 0.0 110.867 168.183 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.66 -30.48 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.12 1.368 . . . . 0.0 112.98 178.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.0 -27.17 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.94 -1.1 . . . . 0.0 113.461 171.515 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.59 -40.77 5.9 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.466 1.032 . . . . 0.0 115.176 -174.343 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.96 166.29 23.52 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.302 1.441 . . . . 0.0 113.329 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.06 177.15 4.76 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.068 1.747 . . . . 0.0 113.574 -172.519 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -58.35 -30.61 66.87 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.09 -35.52 80.74 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.149 -0.969 . . . . 0.0 112.578 172.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -77.3 -30.99 54.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.169 0.988 . . . . 0.0 112.497 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.06 -46.79 70.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.724 0.81 . . . . 0.0 110.542 171.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.93 67.6 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.935 0.894 . . . . 0.0 113.068 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -17.52 64.91 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.0 -26.87 5.07 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.29 -34.15 70.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.248 1.019 . . . . 0.0 111.703 168.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.08 -135.74 45.93 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.226 1.394 . . . . 0.0 113.103 175.532 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.71 -17.6 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.645 1.178 . . . . 0.0 113.304 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -87.87 -0.58 57.16 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.284 1.434 . . . . 0.0 114.024 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.59 145.56 23.03 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.828 1.251 . . . . 0.0 112.869 176.745 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 123.898 0.879 . . . . 0.0 112.755 -173.28 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -85.07 -43.1 14.21 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.878 1.671 . . . . 0.0 112.526 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.15 -46.8 66.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.277 1.031 . . . . 0.0 112.603 -168.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.29 -37.56 74.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.632 -0.667 . . . . 0.0 112.013 176.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.39 -48.13 65.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.581 1.152 . . . . 0.0 111.958 -178.72 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.91 -35.11 79.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.849 0.86 . . . . 0.0 111.773 177.238 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.7 m -62.94 -40.23 97.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.505 -0.747 . . . . 0.0 112.243 172.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -71.59 -39.48 70.49 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.092 -1.005 . . . . 0.0 112.175 177.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.93 -21.06 64.23 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 119.49 1.041 . . . . 0.0 112.422 171.742 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.4 t -76.23 -38.31 56.56 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.63 -1.294 . . . . 0.0 112.73 167.784 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -63.86 -48.88 74.96 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.184 1.394 . . . . 0.0 113.753 174.203 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.45 156.32 39.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.912 1.285 . . . . 0.0 114.071 -167.214 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -72.75 158.64 35.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.391 1.476 . . . . 0.0 112.787 175.774 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -50.47 -43.39 55.4 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.27 1.428 . . . . 0.0 112.536 175.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -64.64 -36.53 84.56 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.318 1.047 . . . . 0.0 113.341 175.834 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.99 -41.82 73.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.796 0.838 . . . . 0.0 111.345 176.08 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.31 -39.38 92.85 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.908 0.776 . . . . 0.0 112.578 172.737 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.7 mtm -59.03 -46.47 88.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.213 0.915 . . . . 0.0 111.612 170.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.68 58.0 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -174.388 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.44 -37.29 85.32 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.676 1.126 . . . . 0.0 111.791 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.49 74.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.877 0.871 . . . . 0.0 112.146 177.474 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -45.41 83.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.918 0.887 . . . . 0.0 110.778 173.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -57.92 -50.94 71.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.78 1.232 . . . . 0.0 112.735 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.94 -27.69 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.825 0.739 . . . . 0.0 112.601 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -78.95 -33.51 45.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.23 1.012 . . . . 0.0 113.206 174.698 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.64 -38.45 67.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.583 0.753 . . . . 0.0 111.816 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.503 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.69 -42.48 95.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.74 0.816 . . . . 0.0 111.091 176.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -63.8 -41.04 97.98 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.323 0.649 . . . . 0.0 111.91 176.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -66.47 -51.86 52.29 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.457 -0.777 . . . . 0.0 112.442 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.67 -29.44 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.218 1.407 . . . . 0.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -71.72 -23.17 61.58 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.81 -1.181 . . . . 0.0 113.208 169.648 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -89.77 -44.98 4.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.989 1.28 . . . . 0.0 114.491 -177.306 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.36 169.54 17.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.477 1.111 . . . . 0.0 113.642 178.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.73 177.34 6.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.629 1.172 . . . . 0.0 113.597 -172.26 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.05 -30.76 66.43 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -170.533 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -66.25 -34.6 78.38 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.262 -0.899 . . . . 0.0 112.478 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.21 -36.28 58.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.887 1.275 . . . . 0.0 111.476 175.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.8 -48.05 80.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.906 . . . . 0.0 110.795 172.047 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.62 71.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 113.035 176.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.67 65.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.97 -27.61 11.57 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.24 -35.93 63.88 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.56 1.144 . . . . 0.0 112.192 171.318 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.9 -133.49 46.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.526 1.06 . . . . 0.0 112.921 173.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.28 -17.91 64.08 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.19 4.09 49.76 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.924 1.289 . . . . 0.0 113.653 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.2 147.19 25.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.113 -0.992 . . . . 0.0 112.769 176.48 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.9 tp . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.318 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -28.06 43.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.166 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.34 -50.85 8.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.286 1.034 . . . . 0.0 112.672 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -71.33 -41.56 69.67 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.712 -0.618 . . . . 0.0 112.457 -174.619 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.75 -48.69 79.56 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.573 -0.705 . . . . 0.0 111.606 177.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.74 -32.63 74.4 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.659 -0.651 . . . . 0.0 111.976 176.247 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 41.5 t -63.7 -39.41 94.24 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.972 0.909 . . . . 0.0 112.964 173.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -65.56 -49.63 68.13 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.744 1.157 . . . . 0.0 110.178 170.296 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.557 1.143 . . . . 0.0 113.337 -174.369 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.0 p -75.67 -30.89 59.54 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.02 1.282 . . . . 0.0 113.625 171.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -87.24 -33.94 19.13 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.731 1.613 . . . . 0.0 114.452 -176.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.8 150.72 48.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.065 1.346 . . . . 0.0 112.694 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 41.2 t -68.93 155.04 40.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.939 1.296 . . . . 0.0 111.714 174.547 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.78 -33.72 68.82 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.933 -1.104 . . . . 0.0 112.373 175.29 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.08 -42.0 99.54 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.943 0.897 . . . . 0.0 112.52 170.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.78 -40.34 88.14 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.977 0.911 . . . . 0.0 112.235 174.441 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.11 -42.9 99.66 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.662 0.665 . . . . 0.0 112.254 174.276 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.2 -46.0 79.62 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.659 0.663 . . . . 0.0 111.843 170.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.82 -42.23 61.19 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -174.56 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -39.28 91.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.337 1.055 . . . . 0.0 112.367 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -46.23 86.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.774 0.829 . . . . 0.0 110.981 175.709 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -62.19 -46.4 89.11 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.681 0.792 . . . . 0.0 112.942 179.157 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -22.38 63.51 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 177.745 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.61 -38.48 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.097 0.959 . . . . 0.0 112.322 171.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.33 -31.47 72.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.166 0.987 . . . . 0.0 113.126 -177.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 0.0 113.061 174.366 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.06 -39.32 85.58 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.497 1.119 . . . . 0.0 111.847 177.512 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -64.81 -31.38 72.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.217 1.007 . . . . 0.0 112.731 176.571 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.78 -46.94 23.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.942 0.897 . . . . 0.0 111.605 176.217 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.06 -32.78 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.892 1.277 . . . . 0.0 112.992 178.684 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.34 -18.18 60.06 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.01 0.924 . . . . 0.0 113.35 171.028 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -39.94 5.9 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.388 1.47 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.14 174.84 8.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.646 1.178 . . . . 0.0 113.534 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.77 177.04 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.92 1.288 . . . . 0.0 113.398 -175.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.29 -30.02 66.3 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.384 1.474 . . . . 0.0 114.305 -172.326 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.89 -32.05 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.999 0.92 . . . . 0.0 112.387 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.97 -39.07 30.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.271 1.028 . . . . 0.0 111.4 173.445 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.62 -45.31 94.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.306 0.642 . . . . 0.0 111.292 176.255 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.16 73.68 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 176.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.87 77.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.484 0.584 . . . . 0.0 112.535 175.133 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.4 -30.23 19.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.41 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.36 -38.27 30.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.219 1.007 . . . . 0.0 112.03 171.378 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.85 -124.15 30.07 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.421 0.534 . . . . 0.0 112.358 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.2 -25.32 66.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.77 1.228 . . . . 0.0 113.242 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -83.82 -0.76 52.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 177.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.25 137.96 58.38 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.146 -0.971 . . . . 0.0 112.292 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG22 HD21 ' A' ' 70' ' ' ASN . 6.0 tp . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.12 0.968 . . . . 0.0 112.276 -176.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.09 -38.4 82.28 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.66 1.184 . . . . 0.0 113.057 178.57 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -68.43 -47.37 67.4 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.637 1.175 . . . . 0.0 111.261 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -60.87 -51.62 68.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.418 1.087 . . . . 0.0 111.516 176.762 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.36 -53.22 38.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.304 1.042 . . . . 0.0 112.627 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.59 -35.54 81.11 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.506 -0.746 . . . . 0.0 112.264 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -63.72 -47.7 80.04 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.608 -0.683 . . . . 0.0 112.108 177.17 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -69.34 -37.88 77.9 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.596 1.089 . . . . 0.0 113.509 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.47 -27.96 68.95 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.865 0.757 . . . . 0.0 112.796 176.291 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -70.42 -29.7 66.38 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.587 1.085 . . . . 0.0 113.508 172.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -81.14 -33.72 32.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.588 1.555 . . . . 0.0 112.818 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.32 149.74 49.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.205 1.402 . . . . 0.0 112.445 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 t -65.27 156.45 31.92 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.852 1.261 . . . . 0.0 112.312 174.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -57.16 -32.38 66.35 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.043 -1.036 . . . . 0.0 112.268 167.453 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 32' ' ' ILE . 36.4 m120 -64.09 -44.81 91.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.354 0.662 . . . . 0.0 111.979 171.609 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.69 -36.8 76.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.969 0.908 . . . . 0.0 111.928 178.038 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.27 -43.64 98.55 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.501 1.12 . . . . 0.0 112.111 173.455 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mtm -59.83 -47.21 86.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.241 0.473 . . . . 0.0 111.776 169.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.44 77.76 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.22 -38.91 89.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.058 0.845 . . . . 0.0 111.74 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.24 87.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.587 0.755 . . . . 0.0 111.963 177.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.37 -45.71 89.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.605 0.762 . . . . 0.0 111.206 177.281 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -61.92 -46.39 89.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.559 0.744 . . . . 0.0 112.582 177.688 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.53 -25.69 63.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.133 0.879 . . . . 0.0 113.324 177.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.02 -34.16 64.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.601 1.16 . . . . 0.0 112.649 172.003 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.33 -37.21 74.64 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.396 1.078 . . . . 0.0 112.528 -179.652 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.732 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.99 -48.49 76.19 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.568 0.747 . . . . 0.0 110.914 176.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -63.73 -31.27 72.4 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 112.864 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -69.33 -53.9 17.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.66 0.784 . . . . 0.0 111.661 173.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.4 mm -60.43 -31.29 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.483 1.513 . . . . 0.0 113.074 177.479 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -70.42 -21.93 62.78 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.687 1.195 . . . . 0.0 113.579 171.078 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.87 -42.53 4.09 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.234 1.397 . . . . 0.0 115.085 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.52 173.79 10.53 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.941 1.296 . . . . 0.0 113.828 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.63 178.56 5.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.922 1.289 . . . . 0.0 113.574 -173.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -60.01 -32.08 70.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.868 1.267 . . . . 0.0 114.39 -168.745 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -66.01 -33.71 76.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.522 0.729 . . . . 0.0 112.368 174.226 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -76.74 -38.12 54.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.127 174.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.25 -47.79 84.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.968 0.907 . . . . 0.0 110.963 174.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.79 81.68 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.43 84.66 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -32.93 30.97 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.678 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.0 -49.16 48.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.524 1.056 . . . . 0.0 111.169 168.369 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.86 97.4 0.07 OUTLIER Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.086 1.327 . . . . 0.0 113.02 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 62.3 -27.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 128.379 2.672 . . . . 0.0 116.325 -177.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.77 1.86 32.64 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 113.904 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.72 151.68 10.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.913 1.685 . . . . 0.0 112.278 170.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 124.229 1.012 . . . . 0.0 113.03 -171.285 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -61.7 -53.27 58.35 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.886 1.274 . . . . 0.0 111.314 177.044 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.14 -36.72 80.14 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.709 1.604 . . . . 0.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.07 -55.49 10.61 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.093 -1.004 . . . . 0.0 112.346 174.276 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.21 -50.75 66.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.139 -175.048 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.97 -38.85 92.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.174 0.897 . . . . 0.0 112.332 -178.656 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 34.9 t -67.36 -43.84 80.45 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.74 -44.03 97.7 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.958 -1.089 . . . . 0.0 111.204 174.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.79 -34.24 75.55 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.658 0.783 . . . . 0.0 112.736 174.146 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 t -67.45 -37.77 83.46 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.14 0.882 . . . . 0.0 113.027 171.444 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -73.62 -26.35 60.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 176.367 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.63 149.47 38.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.992 1.317 . . . . 0.0 112.507 176.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.4 t -70.81 161.2 31.36 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.981 1.312 . . . . 0.0 112.916 175.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -50.15 -40.91 48.0 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.427 1.491 . . . . 0.0 112.272 169.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -65.6 -42.64 91.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.426 1.09 . . . . 0.0 112.111 177.349 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -69.22 -37.51 78.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.94 1.296 . . . . 0.0 112.444 175.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.47 -44.09 97.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 174.741 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.91 -42.17 99.7 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.975 -0.453 . . . . 0.0 111.954 171.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.97 70.21 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.161 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.06 -38.0 89.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.657 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.33 84.8 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.278 1.031 . . . . 0.0 112.188 178.015 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.45 -46.3 83.73 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.661 0.784 . . . . 0.0 110.984 175.054 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.86 -48.46 81.62 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.78 -26.24 66.86 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.86 0.754 . . . . 0.0 112.706 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -76.23 -37.27 57.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.48 -36.35 80.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.625 0.77 . . . . 0.0 112.023 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.409 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.52 0 CA-C-O 118.819 -0.99 . . . . 0.0 111.704 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 51.4 Cg_exo -62.52 -24.17 75.2 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.751 2.967 . . . . 0.0 115.372 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.62 177.31 46.79 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.189 1.376 . . . . 0.0 112.68 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -152.81 160.85 43.11 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.792 1.237 . . . . 0.0 112.319 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -77.56 -16.02 58.89 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.723 1.209 . . . . 0.0 114.205 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.1 158.39 0.12 Allowed Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 128.185 2.594 . . . . 0.0 114.777 -168.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.56 151.17 86.27 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.298 2.665 . . . . 0.0 113.532 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -77.92 -21.56 50.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.963 0.905 . . . . 0.0 113.046 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -104.71 18.06 22.97 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.938 1.695 . . . . 0.0 114.439 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.0 p -60.57 157.57 14.08 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 121.313 -0.867 . . . . 0.0 111.709 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.8 -34.91 75.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.586 -0.696 . . . . 0.0 111.439 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.98 -53.13 51.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.968 1.307 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -68.4 -27.42 66.2 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.69 -53.49 21.95 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.805 0.73 . . . . 0.0 112.237 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.4 -30.94 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.613 1.565 . . . . 0.0 113.07 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -70.67 -18.54 62.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.407 1.083 . . . . 0.0 113.7 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.63 -43.27 2.95 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.806 1.193 . . . . 0.0 114.85 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.51 160.16 32.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.85 172.16 7.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.443 1.097 . . . . 0.0 113.789 -171.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -59.71 -29.93 68.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -66.18 -33.04 74.87 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -75.39 -32.97 60.97 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 0.0 111.453 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.24 -46.55 73.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.815 0.846 . . . . 0.0 110.889 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.28 72.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.681 0.793 . . . . 0.0 112.77 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.82 -17.87 64.94 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.6 -25.75 7.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.6 -37.15 56.93 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.152 0.887 . . . . 0.0 112.426 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.43 -124.06 33.79 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.618 1.104 . . . . 0.0 113.768 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -60.21 -31.48 70.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.438 1.095 . . . . 0.0 112.923 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -80.34 1.71 27.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.909 1.284 . . . . 0.0 114.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.17 146.01 49.09 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.003 -1.06 . . . . 0.0 111.196 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -69.69 150.52 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.651 0.78 . . . . 0.0 112.883 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -118.03 22.33 12.29 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.751 1.62 . . . . 0.0 112.428 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -113.04 169.5 8.88 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.847 1.659 . . . . 0.0 113.726 -165.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.17 -120.0 12.76 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.118 0.866 . . . . 0.0 111.802 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.74 9.01 6.7 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.294 0.95 . . . . 0.0 115.111 168.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.06 -1.87 59.52 Favored Glycine 0 CA--C 1.54 1.647 0 C-N-CA 126.548 2.023 . . . . 0.0 114.322 -175.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.5 m -141.83 9.95 1.98 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.425 1.49 . . . . 0.0 114.367 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.18 -165.69 54.75 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.183 0.897 . . . . 0.0 114.737 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.88 168.4 31.73 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.941 1.257 . . . . 0.0 113.746 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.57 150.92 51.22 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.654 1.121 . . . . 0.0 114.454 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.3 p -159.43 162.78 35.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.537 1.935 . . . . 0.0 110.334 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.62 -37.78 1.1 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 170.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.33 -174.84 37.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.926 0.774 . . . . 0.0 114.57 -174.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 -165.83 12.31 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.773 1.177 . . . . 0.0 115.237 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -146.75 165.77 28.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.487 1.915 . . . . 0.0 111.24 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -152.18 158.37 42.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.697 1.199 . . . . 0.0 112.613 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.34 156.85 0.05 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 127.372 2.269 . . . . 0.0 114.966 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.42 151.37 87.73 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.523 1.129 . . . . 0.0 111.972 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -69.99 166.72 26.93 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.937 3.091 . . . . 0.0 112.015 170.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -68.39 155.64 39.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.369 1.067 . . . . 0.0 111.906 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -66.34 -32.5 73.94 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 m -81.43 144.04 31.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.312 1.445 . . . . 0.0 112.649 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 56.31 -168.6 0.1 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.741 2.017 . . . . 0.0 114.972 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.15 -32.14 0.09 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.971 1.272 . . . . 0.0 113.778 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -61.05 -28.71 69.26 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.261 1.424 . . . . 0.0 113.904 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -77.7 -45.2 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.35 1.46 . . . . 0.0 112.281 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.78 -45.21 68.52 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.882 0.873 . . . . 0.0 112.202 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.35 -40.0 89.53 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.016 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -65.52 -50.76 64.03 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.921 1.289 . . . . 0.0 111.328 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.95 -37.03 85.42 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.63 -0.669 . . . . 0.0 112.003 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 t -62.37 -45.37 93.47 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.024 0.929 . . . . 0.0 112.586 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -61.85 -55.59 28.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.769 0.713 . . . . 0.0 110.971 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.45 -38.08 68.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -59.88 -27.16 66.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -99.56 -5.39 29.24 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.41 153.76 33.32 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 112.405 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -66.87 155.48 38.25 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 110.902 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -58.16 -36.27 72.77 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 120.726 -1.234 . . . . 0.0 112.095 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -61.18 -41.41 96.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.545 0.612 . . . . 0.0 112.13 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.09 -42.66 80.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.578 1.151 . . . . 0.0 112.226 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.42 -42.96 93.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.192 0.997 . . . . 0.0 112.817 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.84 -42.79 94.64 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.38 72.76 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.38 -37.6 88.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.723 1.147 . . . . 0.0 111.375 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.69 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.153 0.981 . . . . 0.0 112.109 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.82 -44.91 94.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.446 1.098 . . . . 0.0 111.125 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.55 -47.19 87.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.934 0.894 . . . . 0.0 112.935 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.22 -22.51 61.25 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -73.65 -39.61 64.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.777 1.231 . . . . 0.0 112.012 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.48 -36.39 83.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.868 0.867 . . . . 0.0 112.689 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.55 -30.3 27.16 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.62 -31.55 63.6 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.962 1.255 . . . . 0.0 113.277 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -10.15 59.35 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -110.37 6.69 22.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.277 1.431 . . . . 0.0 114.392 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -67.74 149.81 49.47 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.991 -1.068 . . . . 0.0 112.557 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 C-N-CA 125.362 1.458 . . . . 0.0 112.65 -179.211 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.834 -0.507 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.89 -28.21 20.09 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.876 3.05 . . . . 0.0 114.029 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.69 177.39 29.79 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.74 1.162 . . . . 0.0 114.626 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.0 t -70.27 159.21 34.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.739 1.216 . . . . 0.0 112.431 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -63.33 -22.66 67.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.208 1.003 . . . . 0.0 112.987 166.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.89 164.21 0.11 Allowed Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 128.042 2.537 . . . . 0.0 115.893 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.45 158.79 34.45 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.777 2.985 . . . . 0.0 114.069 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 pp -125.05 -21.99 4.54 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -74.45 -16.65 60.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.669 1.187 . . . . 0.0 113.128 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 36.9 p -65.51 -19.56 65.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.772 1.229 . . . . 0.0 113.456 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -68.8 -35.18 76.71 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.76 -45.07 94.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.588 0.755 . . . . 0.0 110.588 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.3 m -62.81 -30.66 71.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.093 0.957 . . . . 0.0 112.927 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -69.5 -49.33 55.64 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.943 0.897 . . . . 0.0 111.916 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.06 -33.93 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.431 1.093 . . . . 0.0 112.407 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.58 -22.67 66.13 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.301 1.041 . . . . 0.0 113.713 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.06 -38.11 5.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.736 1.16 . . . . 0.0 114.957 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.37 174.74 9.85 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.298 1.439 . . . . 0.0 113.564 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 176.39 7.87 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -61.1 -25.04 66.69 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.58 -33.77 76.7 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.553 1.141 . . . . 0.0 112.22 171.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.85 -38.87 31.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.906 1.283 . . . . 0.0 111.821 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.83 -47.94 76.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.407 0.683 . . . . 0.0 111.932 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.02 71.16 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.815 0.734 . . . . 0.0 112.723 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.27 62.71 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.09 -29.57 7.55 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.53 -36.03 52.8 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.374 1.07 . . . . 0.0 112.281 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.75 -121.48 26.0 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.492 1.044 . . . . 0.0 113.095 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -58.25 -38.78 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.372 1.069 . . . . 0.0 112.581 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.84 3.82 21.29 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.67 148.7 37.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.484 -0.76 . . . . 0.0 111.269 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp -65.3 148.92 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.256 1.022 . . . . 0.0 112.319 -172.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.85 24.11 10.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.108 1.363 . . . . 0.0 114.368 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 59.38 -176.1 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 114.297 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 131.68 -11.56 5.44 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.859 1.695 . . . . 0.0 114.977 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.58 -13.83 83.08 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 118.366 1.083 . . . . 0.0 115.372 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.33 -156.95 53.56 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-N 118.628 1.214 . . . . 0.0 114.057 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 49.0 m -141.18 159.83 41.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.689 1.595 . . . . 0.0 112.058 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.69 -166.49 26.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.687 1.137 . . . . 0.0 113.727 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -166.71 -176.72 38.01 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.639 1.114 . . . . 0.0 113.711 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.74 157.36 27.04 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.928 1.252 . . . . 0.0 113.304 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 89.9 p -76.97 -24.79 52.29 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 71.33 7.81 64.56 Favored Glycine 0 CA--C 1.547 2.032 0 C-N-CA 124.401 1.0 . . . . 0.0 114.435 -170.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.4 -175.05 49.47 Favored Glycine 0 CA--C 1.539 1.535 0 CA-C-N 118.797 1.298 . . . . 0.0 114.803 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 79.48 163.85 27.25 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.033 1.302 . . . . 0.0 114.822 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 56.7 m -147.23 153.87 40.33 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.696 1.599 . . . . 0.0 112.169 -175.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 48.7 tpp -69.26 130.28 42.18 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.571 0.748 . . . . 0.0 111.521 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.47 36.36 3.62 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.826 1.65 . . . . 0.0 111.91 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm 65.46 142.01 0.07 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 129.098 2.959 . . . . 0.0 113.596 -162.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.71 164.06 36.83 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.71 2.94 . . . . 0.0 113.114 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 15.3 t -147.3 153.04 39.25 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.595 1.558 . . . . 0.0 111.585 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 46.8 m -147.91 157.63 43.63 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.855 1.262 . . . . 0.0 112.649 -164.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 88.7 p -153.85 138.06 16.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.545 1.138 . . . . 0.0 111.825 168.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 60.14 -17.46 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.739 2.416 . . . . 0.0 117.156 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.4 -43.37 3.03 Favored Glycine 0 N--CA 1.471 0.969 0 C-N-CA 126.975 2.226 . . . . 0.0 115.129 172.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -61.29 -39.59 91.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.973 0.887 . . . . 0.0 112.483 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -70.75 -37.35 73.43 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.319 1.047 . . . . 0.0 112.063 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -74.66 -40.24 61.57 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.199 0.999 . . . . 0.0 112.153 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -62.94 -49.3 75.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.012 0.925 . . . . 0.0 111.067 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.61 -52.05 29.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.889 0.876 . . . . 0.0 112.934 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.0 -28.2 68.05 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 42.1 t -60.82 -45.69 93.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.749 0.82 . . . . 0.0 112.139 172.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -63.77 -46.85 83.39 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.092 0.957 . . . . 0.0 110.81 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.88 -38.11 75.18 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.252 1.021 . . . . 0.0 112.465 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.2 t -71.1 -40.24 71.63 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.495 1.118 . . . . 0.0 112.947 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -64.33 -38.41 90.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.912 1.285 . . . . 0.0 113.142 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 151.22 41.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.401 1.48 . . . . 0.0 114.327 -173.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.6 t -68.29 160.54 29.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.853 1.661 . . . . 0.0 112.201 170.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.89 -36.43 70.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.406 1.082 . . . . 0.0 112.511 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -61.99 -42.98 99.74 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.797 -0.564 . . . . 0.0 112.139 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -70.54 -36.24 73.58 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.008 0.923 . . . . 0.0 112.649 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.14 -41.38 96.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.433 1.093 . . . . 0.0 111.978 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.95 -42.55 97.28 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.12 81.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -35.84 79.49 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.446 -0.784 . . . . 0.0 112.059 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.41 91.64 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.674 0.789 . . . . 0.0 112.064 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.46 -44.83 89.85 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.695 0.798 . . . . 0.0 110.629 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -56.72 -52.66 64.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.298 1.039 . . . . 0.0 112.943 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.3 -27.13 67.68 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.936 0.789 . . . . 0.0 112.984 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.01 -38.21 57.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.582 1.153 . . . . 0.0 112.474 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.69 -38.85 73.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.852 0.861 . . . . 0.0 112.503 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -77.39 -33.27 55.18 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -70.38 -32.1 69.62 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.891 1.223 . . . . 0.0 113.517 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.58 -10.37 59.71 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -106.41 -0.09 24.45 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.86 154.11 34.13 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.012 -1.055 . . . . 0.0 112.142 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.185 0 C-N-CA 125.817 1.675 . . . . 0.0 114.007 178.099 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.37 0 CA-C-O 118.579 -1.123 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -59.1 144.74 99.25 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.732 2.954 . . . . 0.0 114.111 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.22 166.74 24.68 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.389 0.995 . . . . 0.0 113.382 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 t -72.72 150.93 42.46 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.167 0.987 . . . . 0.0 112.881 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -78.77 -10.65 59.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.216 1.406 . . . . 0.0 113.542 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.38 159.02 0.12 Allowed Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 128.21 2.604 . . . . 0.0 115.091 -172.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -62.7 155.33 59.77 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.543 2.829 . . . . 0.0 114.599 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -128.17 -7.43 5.38 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.575 1.55 . . . . 0.0 113.333 171.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -133.73 14.33 4.02 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.804 2.042 . . . . 0.0 113.125 -173.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -62.03 150.14 38.98 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.111 1.364 . . . . 0.0 112.274 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -55.35 -37.61 67.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.199 1.4 . . . . 0.0 112.808 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.25 -26.1 67.2 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.656 0.782 . . . . 0.0 112.647 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.0 t -85.44 -44.33 12.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.438 1.095 . . . . 0.0 111.671 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -64.55 -47.63 78.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.477 1.111 . . . . 0.0 113.013 -176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -67.96 -24.17 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.464 1.506 . . . . 0.0 112.307 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.0 -23.66 33.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.149 0.98 . . . . 0.0 113.526 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 -37.05 25.82 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.565 1.079 . . . . 0.0 114.169 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.72 177.26 6.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.113 1.365 . . . . 0.0 113.35 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.93 176.31 7.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.698 1.199 . . . . 0.0 113.82 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.68 -28.66 67.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.142 1.377 . . . . 0.0 114.266 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.02 -37.22 86.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.425 -0.797 . . . . 0.0 112.176 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -73.62 -38.06 65.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.093 0.957 . . . . 0.0 111.664 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.03 -48.16 83.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.286 0.634 . . . . 0.0 111.083 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.94 77.27 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.921 0.782 . . . . 0.0 112.903 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.92 89.13 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.49 -30.44 18.26 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.137 0.975 . . . . 0.0 112.657 171.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 -124.11 34.22 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.904 0.764 . . . . 0.0 112.504 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -57.87 -33.72 68.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.073 0.949 . . . . 0.0 112.646 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.09 2.13 18.9 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.25 139.75 56.66 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.06 -1.025 . . . . 0.0 111.19 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 tp -64.62 149.53 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.215 1.006 . . . . 0.0 113.038 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -115.92 16.49 16.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.323 1.449 . . . . 0.0 113.539 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -77.35 154.42 32.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.592 1.557 . . . . 0.0 113.353 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -25.31 73.29 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 123.889 0.757 . . . . 0.0 114.83 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.03 -172.27 33.8 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.164 1.364 . . . . 0.0 114.783 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.23 153.26 10.02 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.259 0.933 . . . . 0.0 114.12 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.2 m -115.62 5.5 14.34 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.74 1.616 . . . . 0.0 113.314 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 166.94 53.53 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.865 1.221 . . . . 0.0 114.244 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.46 172.35 34.76 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.635 1.112 . . . . 0.0 114.322 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.3 -176.32 43.36 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.373 0.987 . . . . 0.0 113.526 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m 61.93 169.3 0.12 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.585 1.954 . . . . 0.0 115.075 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.23 -155.78 26.38 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.087 1.327 . . . . 0.0 112.749 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.43 152.94 22.7 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.419 1.009 . . . . 0.0 113.133 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.56 -176.52 41.7 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.803 1.192 . . . . 0.0 113.387 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 t -68.39 -33.07 73.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.231 1.012 . . . . 0.0 113.169 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 81.3 mtp 58.8 13.32 2.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.643 1.977 . . . . 0.0 115.341 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -150.91 102.77 3.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.391 1.476 . . . . 0.0 110.712 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -68.39 148.85 98.2 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 123.96 0.904 . . . . 0.0 111.892 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.75 140.22 60.8 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.367 2.711 . . . . 0.0 113.288 -170.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 -14.71 54.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.457 1.503 . . . . 0.0 113.385 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -138.61 164.3 29.83 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.646 1.578 . . . . 0.0 111.702 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t 60.89 -176.53 0.11 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.941 1.697 . . . . 0.0 113.003 -167.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -66.14 134.1 52.08 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.726 -1.234 . . . . 0.0 112.688 -176.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.42 5.09 0.14 Allowed Glycine 0 CA--C 1.533 1.174 0 N-CA-C 115.727 1.051 . . . . 0.0 115.727 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.12 1.768 . . . . 0.0 113.987 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -84.75 -39.1 18.86 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.994 1.717 . . . . 0.0 112.309 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -73.23 -48.35 35.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.144 1.778 . . . . 0.0 113.019 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -72.91 -29.27 63.01 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.374 -0.828 . . . . 0.0 112.817 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.9 -52.62 18.94 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.87 1.668 . . . . 0.0 111.189 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.53 -35.67 80.15 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.532 -0.73 . . . . 0.0 112.368 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.1 t -61.34 -33.9 74.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.41 1.084 . . . . 0.0 113.227 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.08 -47.84 26.81 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.85 -1.156 . . . . 0.0 112.072 171.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.04 -29.75 69.91 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -69.84 -27.68 65.06 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.864 1.211 . . . . 0.0 113.313 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -87.44 -36.82 17.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.53 1.532 . . . . 0.0 113.518 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.0 151.12 43.72 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.899 1.28 . . . . 0.0 111.988 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 p -73.27 165.69 24.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.95 0.9 . . . . 0.0 113.368 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.43 -37.41 65.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.287 1.435 . . . . 0.0 112.795 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -70.98 -44.8 65.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.636 0.774 . . . . 0.0 112.449 175.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.05 -38.75 91.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.157 0.983 . . . . 0.0 111.856 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.39 -44.73 92.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.4 mtm -62.24 -43.35 99.02 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.672 0.669 . . . . 0.0 112.037 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.94 70.86 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.68 -40.25 95.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.114 0.87 . . . . 0.0 111.099 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.92 87.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.464 1.106 . . . . 0.0 112.401 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.94 -46.71 89.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.789 0.722 . . . . 0.0 110.952 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.42 -49.83 76.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.469 0.708 . . . . 0.0 112.623 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.59 -24.54 61.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -74.76 -38.32 62.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.734 1.213 . . . . 0.0 112.477 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -66.82 -36.47 82.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.453 1.101 . . . . 0.0 112.867 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -82.65 -30.55 29.28 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.89 -32.62 63.67 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.227 1.376 . . . . 0.0 112.941 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.17 -9.41 58.59 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -108.55 3.13 22.69 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.354 1.462 . . . . 0.0 114.072 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -73.36 157.5 36.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.095 -1.003 . . . . 0.0 112.18 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.43 0 C-N-CA 125.313 1.435 . . . . 0.0 113.781 178.845 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 CA-C-O 118.748 -1.029 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -67.13 161.97 40.42 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.64 2.893 . . . . 0.0 112.716 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.64 -161.31 27.12 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.646 1.117 . . . . 0.0 113.212 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 41.9 t -147.25 149.23 32.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.838 1.255 . . . . 0.0 112.393 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -75.0 -11.1 60.03 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.05 1.34 . . . . 0.0 113.798 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 65.49 149.63 0.11 Allowed Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 128.49 2.716 . . . . 0.0 114.646 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.46 146.8 86.09 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.546 2.83 . . . . 0.0 114.321 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.47 -30.95 11.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.131 1.372 . . . . 0.0 111.206 159.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -82.13 52.7 2.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.335 2.654 . . . . 0.0 110.642 169.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -61.68 166.03 4.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.383 1.473 . . . . 0.0 113.318 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -58.36 -41.74 85.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.528 1.131 . . . . 0.0 111.281 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.03 -42.99 93.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.136 0.975 . . . . 0.0 111.6 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -62.03 -41.68 98.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.147 0.979 . . . . 0.0 112.018 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.87 -48.07 67.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.748 0.819 . . . . 0.0 112.362 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.404 HD13 HD21 ' B' ' 118' ' ' LEU . 22.0 mm -64.56 -29.61 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.699 1.2 . . . . 0.0 113.041 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.78 -22.26 46.62 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.87 -36.3 11.68 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.714 1.149 . . . . 0.0 114.218 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 115' ' ' ILE . 3.1 pp -75.4 176.19 7.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 0.0 113.51 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.09 174.37 8.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.956 1.302 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.44 -29.08 67.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.98 -34.82 79.34 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.252 1.021 . . . . 0.0 112.885 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.98 -36.8 62.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.052 0.941 . . . . 0.0 111.904 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.42 -47.88 84.16 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.019 0.528 . . . . 0.0 110.678 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.87 75.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.7 66.68 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -28.23 10.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.7 -38.96 37.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.851 1.26 . . . . 0.0 112.483 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.13 -120.41 22.52 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.059 1.314 . . . . 0.0 113.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.52 -29.95 69.44 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.256 1.022 . . . . 0.0 113.288 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -88.93 5.25 44.94 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.8 149.95 29.65 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.044 -1.035 . . . . 0.0 111.838 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.455 HG22 HD21 ' B' ' 170' ' ' ASN . 5.0 tp -63.07 143.72 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.273 0.629 . . . . 0.0 112.376 -172.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -112.84 32.35 5.74 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.153 1.381 . . . . 0.0 112.498 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -132.35 152.16 51.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.317 1.847 . . . . 0.0 111.617 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -76.69 175.74 53.17 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.419 1.009 . . . . 0.0 113.718 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.09 -23.97 76.0 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 124.28 0.943 . . . . 0.0 114.766 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.64 57.83 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 116.518 1.367 . . . . 0.0 116.518 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 33.4 t -156.81 154.36 29.76 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.017 1.409 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.05 -5.18 84.68 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.617 1.103 . . . . 0.0 115.162 173.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.67 -165.26 27.73 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 118.644 1.222 . . . . 0.0 113.757 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.99 177.93 46.32 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.19 0.9 . . . . 0.0 114.258 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -154.04 145.8 23.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.369 1.468 . . . . 0.0 112.294 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.57 1.67 88.19 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.096 1.331 . . . . 0.0 114.697 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -71.39 -160.03 3.85 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 125.229 1.395 . . . . 0.0 115.771 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.51 -168.4 54.4 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.386 0.993 . . . . 0.0 114.781 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 9.1 m 59.49 22.3 10.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.193 1.797 . . . . 0.0 115.366 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 25.9 ptp -72.05 157.99 36.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.623 1.569 . . . . 0.0 114.346 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 58.91 19.0 6.65 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.811 2.045 . . . . 0.0 116.386 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -70.44 155.21 93.77 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.135 1.374 . . . . 0.0 113.373 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.15 150.76 87.69 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.707 2.938 . . . . 0.0 111.883 157.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 41.8 p -85.52 154.21 21.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.163 0.985 . . . . 0.0 112.278 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 6.8 t -76.01 -173.46 2.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.675 1.19 . . . . 0.0 111.658 168.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 31.8 t -58.11 -32.98 68.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.213 1.405 . . . . 0.0 113.947 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -148.65 151.93 35.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 111.283 170.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -67.92 -22.73 74.1 Favored Glycine 0 CA--C 1.539 1.539 0 N-CA-C 115.861 1.105 . . . . 0.0 115.861 -166.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -62.09 -30.48 71.03 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.097 1.449 . . . . 0.0 112.212 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -63.43 -52.59 60.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.811 1.244 . . . . 0.0 110.887 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.73 -43.8 98.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.528 1.131 . . . . 0.0 112.524 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -65.48 -48.56 72.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.536 0.734 . . . . 0.0 112.473 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.69 -45.22 79.53 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.409 0.684 . . . . 0.0 111.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.47 -39.21 88.67 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.699 -0.626 . . . . 0.0 112.2 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 44.3 t -63.87 -44.58 92.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.548 0.739 . . . . 0.0 112.385 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -60.17 -45.93 91.42 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.449 -0.782 . . . . 0.0 111.958 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.94 -19.13 63.39 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 44.6 t -71.16 -41.86 69.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.313 -1.492 . . . . 0.0 112.054 166.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -78.16 -36.15 48.0 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.31 153.68 40.43 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.1 0.96 . . . . 0.0 112.933 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 29.7 t -67.34 154.74 40.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.814 1.246 . . . . 0.0 112.201 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -56.09 -35.13 66.68 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.786 -1.196 . . . . 0.0 112.13 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' ASN . . . . . 0.455 HD21 HG22 ' B' ' 132' ' ' ILE . 9.3 m120 -65.81 -38.52 89.2 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.31 -0.869 . . . . 0.0 112.844 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.49 -40.11 77.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.16 -43.75 92.09 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.245 1.418 . . . . 0.0 112.082 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 66.3 mtm -60.02 -46.26 90.07 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.312 0.645 . . . . 0.0 111.56 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.61 67.83 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.33 -38.82 91.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.527 1.058 . . . . 0.0 111.461 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.13 89.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.665 1.186 . . . . 0.0 112.363 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -47.7 68.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.871 0.868 . . . . 0.0 110.863 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -62.25 -46.12 90.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 0.0 112.705 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.83 -28.17 68.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.07 0.85 . . . . 0.0 112.953 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -75.94 -36.14 59.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.168 1.387 . . . . 0.0 112.581 172.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -71.73 -39.59 69.99 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.351 1.06 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -77.61 -27.2 51.13 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.75 -29.42 58.84 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.593 1.088 . . . . 0.0 113.279 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -82.01 -13.38 57.47 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -95.73 3.0 54.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.758 1.223 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -66.34 154.97 38.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.212 1.005 . . . . 0.0 112.237 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.915 178.107 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -68.58 160.24 50.2 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 124.082 3.188 . . . . 0.0 112.952 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.06 -165.71 24.05 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.317 0.961 . . . . 0.0 113.441 170.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -60.38 130.0 44.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.019 0.927 . . . . 0.0 111.858 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.9 -23.98 61.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -171.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.93 148.73 0.1 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 127.936 2.494 . . . . 0.0 114.867 -170.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.98 150.02 66.29 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.822 2.348 . . . . 0.0 112.974 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -134.98 -8.62 2.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.854 1.661 . . . . 0.0 113.651 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -134.45 19.7 3.64 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.889 2.076 . . . . 0.0 112.717 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -62.7 146.9 51.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.586 1.155 . . . . 0.0 112.625 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.19 -24.52 67.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.439 1.095 . . . . 0.0 113.129 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.88 -40.17 96.69 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.544 -1.348 . . . . 0.0 111.285 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -69.48 -33.25 72.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.948 0.899 . . . . 0.0 112.847 174.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -69.31 -47.6 64.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.782 0.833 . . . . 0.0 111.821 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -66.01 -31.18 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.164 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -68.95 -29.32 67.53 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.194 0.998 . . . . 0.0 113.513 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -31.28 10.86 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.56 178.33 4.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.217 1.407 . . . . 0.0 114.309 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 169.75 9.5 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.613 1.165 . . . . 0.0 112.882 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.52 -26.74 67.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -173.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.66 -34.34 77.62 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.238 1.015 . . . . 0.0 112.095 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.72 -34.7 62.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.444 1.097 . . . . 0.0 112.275 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.55 -49.48 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.33 72.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.98 65.34 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.1 -27.29 7.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.97 -39.25 66.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.202 0.91 . . . . 0.0 111.509 168.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.54 -121.97 26.44 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.91 1.243 . . . . 0.0 113.077 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.92 -26.14 65.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.04 1.336 . . . . 0.0 113.742 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -93.24 3.69 55.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.145 1.378 . . . . 0.0 114.374 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -57.12 145.14 32.09 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.961 -1.087 . . . . 0.0 112.552 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp -56.03 141.72 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -168.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -97.37 48.25 1.04 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.434 1.093 . . . . 0.0 111.064 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 59.62 171.78 0.08 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.664 1.985 . . . . 0.0 114.266 -168.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.11 77.14 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.968 1.271 . . . . 0.0 115.762 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.88 150.42 51.94 Favored Glycine 0 CA--C 1.537 1.442 0 CA-C-N 118.991 1.395 . . . . 0.0 112.901 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.54 131.56 47.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.44 1.019 . . . . 0.0 113.175 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -74.48 169.33 17.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.921 1.288 . . . . 0.0 113.191 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.42 162.53 54.14 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.507 1.051 . . . . 0.0 114.032 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.82 -148.68 8.8 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 126.346 1.927 . . . . 0.0 114.248 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.18 -2.98 87.94 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.056 1.312 . . . . 0.0 114.349 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 170.09 16.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.835 1.654 . . . . 0.0 112.716 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.73 -177.26 18.26 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.139 0.876 . . . . 0.0 113.931 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.76 4.73 82.27 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.653 1.121 . . . . 0.0 115.479 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.11 168.24 50.43 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.31 1.433 . . . . 0.0 113.371 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 m -64.66 140.08 58.83 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.293 1.037 . . . . 0.0 112.325 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.56 -39.35 67.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.76 0.824 . . . . 0.0 112.256 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -77.24 154.7 32.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.77 1.228 . . . . 0.0 112.335 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -72.93 163.43 68.44 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.703 1.201 . . . . 0.0 112.218 167.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -61.48 166.52 11.28 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.779 2.986 . . . . 0.0 114.037 170.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -64.42 148.28 50.82 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.597 0.759 . . . . 0.0 112.217 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.5 p -73.31 -9.89 59.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.533 1.133 . . . . 0.0 113.517 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -67.59 -29.77 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.614 1.166 . . . . 0.0 113.58 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -131.33 176.19 8.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.099 2.16 . . . . 0.0 111.529 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.55 -40.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 115.011 0.764 . . . . 0.0 115.011 173.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -59.77 -38.99 83.36 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.142 0.971 . . . . 0.0 112.82 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -85.8 -44.72 12.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.347 1.459 . . . . 0.0 113.278 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.43 -41.94 99.08 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.503 0.721 . . . . 0.0 112.776 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -71.23 -54.01 12.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.843 0.457 . . . . 0.0 110.771 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.17 -45.02 94.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.48 -34.67 75.86 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.309 -0.869 . . . . 0.0 111.664 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -72.11 -40.78 67.9 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.782 0.833 . . . . 0.0 112.163 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -56.45 -49.82 73.5 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.875 1.216 . . . . 0.0 111.153 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.48 -34.93 78.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.099 0.56 . . . . 0.0 111.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 t -67.65 -32.28 72.86 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -80.74 -26.97 36.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.03 1.332 . . . . 0.0 114.324 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.32 153.02 30.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.176 0.99 . . . . 0.0 112.745 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.1 t -67.16 157.96 32.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.473 1.509 . . . . 0.0 112.671 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -52.97 -36.56 60.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.089 1.356 . . . . 0.0 112.956 170.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.88 -42.62 73.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.189 0.596 . . . . 0.0 112.441 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.02 -37.62 88.21 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.212 1.005 . . . . 0.0 112.602 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.04 -45.2 93.63 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.631 1.572 . . . . 0.0 112.595 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 47.5 mtm -60.42 -43.32 96.85 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.875 -0.516 . . . . 0.0 111.818 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.64 -38.59 91.54 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.902 0.774 . . . . 0.0 111.351 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.78 83.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.625 0.77 . . . . 0.0 111.595 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.36 -42.72 96.06 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 0.0 111.285 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.31 -49.44 77.6 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.722 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.72 -26.03 65.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -72.54 -36.91 68.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.556 1.542 . . . . 0.0 112.845 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.57 -37.18 71.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.436 1.095 . . . . 0.0 112.709 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -81.62 -27.97 33.92 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.15 -31.92 64.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.994 1.27 . . . . 0.0 112.821 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.91 -11.67 60.43 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -101.97 1.39 36.63 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.718 1.207 . . . . 0.0 114.051 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -72.15 153.54 41.58 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.402 1.081 . . . . 0.0 112.583 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 C-N-CA 125.445 1.497 . . . . 0.0 112.713 179.089 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -66.92 -17.23 51.47 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.993 3.129 . . . . 0.0 115.708 -175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.95 6.87 89.16 Favored Glycine 0 CA--C 1.542 1.751 0 C-N-CA 124.593 1.092 . . . . 0.0 114.907 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -66.13 149.59 50.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.005 1.322 . . . . 0.0 112.297 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -69.92 -21.75 63.26 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.59 1.156 . . . . 0.0 113.486 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.48 165.28 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.276 2.23 . . . . 0.0 114.287 -169.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -60.28 112.32 1.27 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.227 2.618 . . . . 0.0 112.257 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -86.05 -18.65 31.88 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -95.58 -3.1 47.04 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.243 1.417 . . . . 0.0 114.339 -172.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 11.8 t -100.14 140.03 34.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.067 1.347 . . . . 0.0 112.329 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -70.78 -36.43 73.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.34 1.056 . . . . 0.0 112.437 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.77 -43.07 94.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.739 0.816 . . . . 0.0 112.212 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.5 m -70.11 -31.03 68.38 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.868 0.867 . . . . 0.0 112.805 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.44 -47.44 41.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.369 -0.832 . . . . 0.0 111.861 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.91 -26.51 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.445 1.498 . . . . 0.0 113.241 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -15.82 55.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 167.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -48.18 4.93 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.192 0.901 . . . . 0.0 113.515 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.45 156.43 35.27 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.038 1.335 . . . . 0.0 112.839 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 176.08 5.27 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.737 1.215 . . . . 0.0 113.614 -171.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -59.48 -30.64 68.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.8 -31.97 72.94 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.055 0.843 . . . . 0.0 113.168 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.59 -34.78 53.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.395 1.078 . . . . 0.0 111.518 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.74 -47.32 81.52 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.325 0.65 . . . . 0.0 110.863 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.23 71.01 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.922 0.783 . . . . 0.0 113.039 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.97 64.87 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.08 -28.83 8.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.96 -37.34 69.95 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.61 1.164 . . . . 0.0 112.032 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.51 25.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.622 1.106 . . . . 0.0 113.227 172.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.52 -23.5 66.99 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.556 1.143 . . . . 0.0 114.007 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.0 5.08 52.75 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.2 1.4 . . . . 0.0 114.279 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.03 149.13 37.88 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.401 -0.812 . . . . 0.0 112.34 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.5 tp -64.08 144.0 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.448 -0.783 . . . . 0.0 112.421 -174.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -90.3 -7.6 52.96 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.06 137.4 38.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.697 1.199 . . . . 0.0 112.559 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.18 128.85 22.85 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.965 -0.459 . . . . 0.0 112.314 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.57 9.47 78.3 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 124.46 1.028 . . . . 0.0 115.549 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.44 43.8 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-N 119.145 1.472 . . . . 0.0 113.531 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 63.8 m -110.1 159.57 17.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.409 1.484 . . . . 0.0 113.42 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.16 150.12 49.3 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.603 1.097 . . . . 0.0 114.076 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.02 -147.08 8.45 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.662 1.601 . . . . 0.0 112.505 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.75 164.97 37.73 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.972 1.273 . . . . 0.0 113.368 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 13.8 t -75.78 148.91 38.11 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.037 0.935 . . . . 0.0 113.317 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -162.57 165.03 36.01 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.059 1.79 . . . . 0.0 112.752 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 156.66 170.44 21.74 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.834 1.206 . . . . 0.0 114.091 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -76.14 136.11 18.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.328 0.966 . . . . 0.0 112.784 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 28.7 t -70.74 142.75 51.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.065 0.946 . . . . 0.0 113.02 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 8.2 tpt 60.82 9.22 2.13 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.21 2.204 . . . . 0.0 116.056 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.77 142.62 49.71 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.333 -1.48 . . . . 0.0 111.795 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -72.27 153.25 92.3 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.516 1.126 . . . . 0.0 112.147 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -66.46 148.83 84.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.156 2.57 . . . . 0.0 112.691 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 33.1 p -80.2 150.62 30.05 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.276 1.43 . . . . 0.0 113.255 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 22.3 m -79.21 -5.14 53.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.956 1.302 . . . . 0.0 114.126 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 21.1 m -64.13 164.5 10.7 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.919 2.088 . . . . 0.0 113.896 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.79 121.7 13.53 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.48 1.112 . . . . 0.0 113.156 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.37 -44.64 51.15 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.992 0.806 . . . . 0.0 114.774 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -59.94 -31.07 69.51 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.949 0.875 . . . . 0.0 113.087 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -81.81 -63.08 1.46 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.513 1.925 . . . . 0.0 110.781 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.16 -42.44 93.73 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.71 -33.6 72.73 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.902 -1.124 . . . . 0.0 112.293 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -72.74 -52.3 15.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.009 0.924 . . . . 0.0 110.852 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.35 -39.88 94.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.886 0.874 . . . . 0.0 112.752 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 9.7 t -67.94 -41.73 82.06 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.753 0.706 . . . . 0.0 112.06 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -61.89 -42.22 98.82 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.069 0.849 . . . . 0.0 111.99 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.02 -28.29 69.48 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 t -73.17 -39.48 65.6 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.66 1.118 . . . . 0.0 112.615 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -72.89 -33.94 66.35 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.688 1.595 . . . . 0.0 113.815 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.84 151.81 44.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.791 1.636 . . . . 0.0 112.278 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.0 t -78.21 156.59 29.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.501 1.12 . . . . 0.0 111.263 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.54 -37.86 65.9 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.743 -1.223 . . . . 0.0 112.78 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -59.53 -40.99 89.01 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.361 173.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.58 -37.29 79.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 112.136 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.6 -38.88 92.54 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -59.67 -46.53 88.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.282 0.946 . . . . 0.0 111.124 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.99 66.56 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.96 -39.2 93.6 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.164 0.893 . . . . 0.0 111.865 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.71 -42.26 77.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.922 0.889 . . . . 0.0 112.535 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.47 -45.5 93.99 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.216 -0.927 . . . . 0.0 110.693 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -60.82 -48.1 83.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.734 0.814 . . . . 0.0 112.862 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.89 -25.98 64.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.324 0.966 . . . . 0.0 112.658 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -75.08 -33.71 61.69 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.987 1.315 . . . . 0.0 112.889 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.96 -38.32 69.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.089 0.956 . . . . 0.0 112.469 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -81.93 -24.43 35.61 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -76.99 -27.85 54.85 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.507 1.049 . . . . 0.0 113.235 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.75 -12.38 60.02 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -97.62 1.99 49.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.751 1.22 . . . . 0.0 113.596 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -66.75 155.04 39.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.617 1.167 . . . . 0.0 112.536 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.392 1.472 . . . . 0.0 113.29 179.162 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 119.968 -0.351 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.24 -18.92 23.05 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 124.125 3.217 . . . . 0.0 114.229 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.48 153.45 20.91 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.297 1.427 . . . . 0.0 113.762 -174.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.7 m -72.74 136.71 45.57 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.726 1.21 . . . . 0.0 112.847 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -86.05 -16.71 37.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.519 1.128 . . . . 0.0 113.873 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.05 161.31 0.11 Allowed Pre-proline 0 CA--C 1.56 1.337 0 C-N-CA 128.264 2.625 . . . . 0.0 115.606 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -62.56 153.28 72.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.759 2.973 . . . . 0.0 114.036 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -83.87 -15.41 48.25 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -117.39 1.1 12.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p -69.54 120.07 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.616 1.098 . . . . 0.0 111.214 172.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 -69.95 -31.88 69.84 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.82 -47.11 87.86 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.805 1.184 . . . . 0.0 110.712 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 m -65.83 -34.75 78.86 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 112.658 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -68.32 -47.38 67.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.711 0.804 . . . . 0.0 112.016 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.82 -29.87 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.603 1.161 . . . . 0.0 112.559 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.55 -20.15 57.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.34 -29.34 14.65 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.734 1.159 . . . . 0.0 115.373 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.91 -177.92 4.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.53 1.532 . . . . 0.0 114.138 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.39 171.42 12.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.725 1.21 . . . . 0.0 113.112 175.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -59.75 -27.69 66.72 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -171.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.53 -33.98 77.17 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.907 0.883 . . . . 0.0 112.272 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.12 -38.05 72.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.296 1.038 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.49 -46.83 78.2 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.765 0.826 . . . . 0.0 111.307 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -33.5 70.84 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.71 63.81 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.54 -27.19 8.68 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mp -78.37 -38.36 42.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.497 1.119 . . . . 0.0 112.067 171.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.42 -125.51 39.75 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.785 1.183 . . . . 0.0 113.427 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -59.51 -24.32 63.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.292 1.437 . . . . 0.0 113.498 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -92.53 9.86 32.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.118 1.367 . . . . 0.0 114.144 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -61.32 140.84 57.92 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.819 -1.175 . . . . 0.0 111.293 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.55 149.96 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.378 -0.826 . . . . 0.0 113.214 -172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.47 -8.21 42.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.73 162.32 39.79 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.018 1.327 . . . . 0.0 113.289 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -172.84 156.54 25.05 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.309 0.956 . . . . 0.0 113.196 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.8 164.85 24.19 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.065 1.317 . . . . 0.0 113.847 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.41 -165.27 37.22 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.536 1.065 . . . . 0.0 113.63 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.4 p -71.24 -13.72 62.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.012 1.325 . . . . 0.0 114.489 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.75 77.6 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 123.907 0.765 . . . . 0.0 113.729 -171.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.95 38.02 7.59 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.111 1.339 . . . . 0.0 113.694 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.33 -2.96 85.22 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.941 1.258 . . . . 0.0 116.114 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 t -66.1 155.28 37.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.538 1.169 . . . . 0.0 112.546 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.53 164.9 50.54 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.761 1.172 . . . . 0.0 115.238 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.44 -167.78 37.96 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.476 1.512 . . . . 0.0 112.865 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 15.52 81.38 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.436 1.017 . . . . 0.0 115.42 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.4 m -62.57 157.23 21.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.77 1.628 . . . . 0.0 112.988 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.6 ptm -62.06 158.17 17.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.172 0.989 . . . . 0.0 113.124 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.5 144.66 50.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.544 1.137 . . . . 0.0 112.806 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -113.07 164.41 15.6 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 126.404 1.882 . . . . 0.0 111.505 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.63 150.13 36.96 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.639 2.893 . . . . 0.0 113.846 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 t -64.87 154.18 38.04 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.966 1.306 . . . . 0.0 113.276 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -151.19 148.86 28.76 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.153 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -78.84 -11.88 60.01 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.173 1.389 . . . . 0.0 113.773 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -67.59 154.31 41.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.22 0.918 . . . . 0.0 112.772 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.14 -45.44 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 C-N-CA 123.634 0.635 . . . . 0.0 114.31 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -58.22 -38.8 77.51 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.21 1.005 . . . . 0.0 112.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -78.18 -42.54 31.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.829 1.652 . . . . 0.0 112.694 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -71.51 -47.94 52.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.22 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.27 -22.84 64.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 112.881 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -82.53 -56.29 3.96 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.989 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.7 -34.57 78.17 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.1 p -64.75 -34.84 79.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.584 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -72.98 -48.89 32.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.397 1.079 . . . . 0.0 110.663 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.32 -41.6 69.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.388 0.675 . . . . 0.0 112.24 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -67.7 -36.99 81.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -86.27 -25.18 25.66 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.98 153.55 40.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.73 1.212 . . . . 0.0 111.956 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -62.89 158.02 20.1 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.626 1.17 . . . . 0.0 111.912 171.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.161 -0.962 . . . . 0.0 111.918 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -64.97 -42.65 94.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.943 0.897 . . . . 0.0 112.327 171.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.7 -37.96 79.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.207 1.003 . . . . 0.0 111.979 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.47 -43.17 97.2 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 111.968 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.6 mtm -62.78 -42.72 99.82 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.97 68.81 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.57 -39.79 94.38 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.591 1.087 . . . . 0.0 112.017 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.4 83.64 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.336 1.054 . . . . 0.0 112.371 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -46.63 67.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.625 -0.672 . . . . 0.0 111.304 174.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.37 -47.8 84.51 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.64 -28.88 69.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.874 0.761 . . . . 0.0 112.959 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.31 -41.57 63.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.176 0.99 . . . . 0.0 111.697 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.72 -37.97 79.86 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.191 0.997 . . . . 0.0 112.075 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -78.28 -29.97 48.21 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.49 -29.07 59.45 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.823 1.192 . . . . 0.0 112.918 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.77 -14.27 58.83 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -101.91 -18.97 15.45 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -89.97 161.27 15.97 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.499 1.119 . . . . 0.0 113.168 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 C-N-CA 125.559 1.552 . . . . 0.0 113.34 -177.26 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.25 152.39 53.39 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.176 3.251 . . . . 0.0 114.04 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.31 143.7 43.17 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.456 1.027 . . . . 0.0 114.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.8 t -72.44 157.22 38.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.799 1.24 . . . . 0.0 112.315 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -63.71 -24.6 67.84 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.116 0.966 . . . . 0.0 112.407 167.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.92 160.2 0.12 Allowed Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 128.888 2.875 . . . . 0.0 115.526 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.17 156.58 54.44 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.37 2.713 . . . . 0.0 113.821 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -142.32 -13.29 0.8 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.12 1.368 . . . . 0.0 114.127 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -110.11 17.29 21.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.815 2.046 . . . . 0.0 113.065 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 17.1 p -62.58 143.44 57.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.164 1.385 . . . . 0.0 112.609 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.9 -29.62 39.94 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.29 -50.83 71.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.772 1.169 . . . . 0.0 111.443 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 78.2 p -70.48 -28.51 65.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.674 0.79 . . . . 0.0 112.972 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.35 -54.86 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.008 0.923 . . . . 0.0 111.52 173.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -61.39 -34.03 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.582 1.553 . . . . 0.0 112.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -70.61 -21.86 62.6 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.38 -39.99 5.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.952 1.263 . . . . 0.0 114.7 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.4 176.09 10.01 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.533 1.133 . . . . 0.0 113.953 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 173.66 6.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.231 1.412 . . . . 0.0 113.567 -171.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.76 -30.28 67.4 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.004 1.321 . . . . 0.0 114.312 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -65.31 -35.96 82.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.476 0.71 . . . . 0.0 112.044 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.98 -30.42 50.18 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.054 0.942 . . . . 0.0 112.434 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.02 -47.97 72.68 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.319 0.648 . . . . 0.0 110.64 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.63 -29.8 69.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.15 -17.94 65.07 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.49 -25.56 5.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.49 -34.28 67.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.927 0.891 . . . . 0.0 112.326 168.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.98 -140.6 45.74 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.928 1.251 . . . . 0.0 113.095 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -64.05 -16.72 62.32 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.147 0.979 . . . . 0.0 113.476 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.09 -0.02 38.12 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.286 1.434 . . . . 0.0 113.654 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -56.22 143.49 33.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.787 -1.196 . . . . 0.0 112.835 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.3 tp -64.07 149.44 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -167.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -98.9 6.3 46.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.909 1.684 . . . . 0.0 113.443 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -136.62 166.69 22.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.878 1.671 . . . . 0.0 113.527 -159.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -76.32 158.02 48.73 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.896 1.236 . . . . 0.0 113.866 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -111.5 0.22 27.81 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.03 1.3 . . . . 0.0 116.015 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.14 -167.77 38.28 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.012 1.406 . . . . 0.0 113.508 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -155.89 -57.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.66 1.184 . . . . 0.0 111.346 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -96.93 -163.41 32.37 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.644 1.593 . . . . 0.0 112.601 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.78 139.76 23.3 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.75 0.691 . . . . 0.0 112.975 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.49 2.05 68.93 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 125.014 1.292 . . . . 0.0 115.489 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 90.7 p -151.29 167.52 27.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.663 1.985 . . . . 0.0 111.392 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 179.65 169.68 40.32 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.856 0.741 . . . . 0.0 114.365 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -77.45 -174.23 41.07 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.292 1.425 . . . . 0.0 114.162 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -172.84 -165.91 30.55 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.215 1.388 . . . . 0.0 112.574 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 88.0 p -66.93 -30.22 70.3 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.177 0.991 . . . . 0.0 113.343 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 28.0 ptm 47.6 29.33 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.977 2.511 . . . . 0.0 115.684 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -78.64 -5.25 52.46 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -109.63 144.91 30.84 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 126.253 1.821 . . . . 0.0 112.733 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.24 168.9 22.87 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.682 2.922 . . . . 0.0 112.377 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 10.2 t -148.02 -53.01 0.19 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.727 0.811 . . . . 0.0 112.208 172.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 -40.87 0.1 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 129.497 3.119 . . . . 0.0 118.677 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 50.3 m -73.01 154.23 40.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.538 1.535 . . . . 0.0 114.437 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 58.26 -87.28 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.851 2.46 . . . . 0.0 115.236 174.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.03 -35.96 1.92 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.688 1.613 . . . . 0.0 115.457 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -62.0 -25.52 67.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.914 1.286 . . . . 0.0 113.852 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -80.17 -42.32 23.62 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.161 1.784 . . . . 0.0 112.387 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -70.69 -42.96 70.0 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.483 1.113 . . . . 0.0 112.543 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -64.19 -35.23 80.1 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.408 0.683 . . . . 0.0 112.359 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.9 -53.05 16.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.364 1.466 . . . . 0.0 111.952 174.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 63.1 tp -58.59 -37.0 74.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.262 1.025 . . . . 0.0 112.699 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 57.8 m -64.29 -20.8 66.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -86.17 -47.69 9.25 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.39 0.995 . . . . 0.0 111.237 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.13 -28.41 69.09 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.8 p -68.36 -27.87 66.63 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.409 1.004 . . . . 0.0 113.519 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.83 -34.04 17.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.261 1.824 . . . . 0.0 113.97 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.79 156.85 26.03 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.951 1.301 . . . . 0.0 112.358 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.9 t -68.55 156.79 37.36 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.677 1.191 . . . . 0.0 111.583 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -61.56 -34.02 74.86 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.922 -1.111 . . . . 0.0 112.008 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -63.27 -42.12 99.08 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.482 -0.761 . . . . 0.0 112.436 172.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.67 -39.03 90.9 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.682 0.793 . . . . 0.0 111.643 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.68 -45.1 95.44 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.962 0.905 . . . . 0.0 113.052 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -56.7 -48.33 77.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.175 0.898 . . . . 0.0 111.451 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.99 65.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.93 -36.87 84.54 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.061 0.846 . . . . 0.0 111.64 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.82 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.7 0.8 . . . . 0.0 111.71 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.86 -44.24 97.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.331 -0.855 . . . . 0.0 111.128 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -60.5 -50.21 74.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.141 0.976 . . . . 0.0 112.902 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.92 -26.41 65.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -75.31 -33.24 61.15 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.855 1.262 . . . . 0.0 112.424 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.64 -42.08 71.32 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.63 1.172 . . . . 0.0 112.302 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -81.74 -12.45 58.59 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -87.94 -34.59 18.06 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.088 1.313 . . . . 0.0 112.763 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.74 -16.46 61.65 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -87.85 -8.73 55.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.852 1.261 . . . . 0.0 114.102 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -80.81 156.52 26.11 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.547 1.139 . . . . 0.0 113.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.341 0 C-N-CA 125.658 1.599 . . . . 0.0 113.173 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.455 0 CA-C-O 119.801 -0.444 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -69.46 165.01 32.08 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.0 3.133 . . . . 0.0 112.888 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.38 -125.97 7.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 123.62 0.629 . . . . 0.0 113.332 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.4 t 66.32 140.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.344 2.258 . . . . 0.0 114.621 -166.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -82.67 -27.93 30.97 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -170.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.94 156.42 0.11 Allowed Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 127.019 2.127 . . . . 0.0 115.075 -170.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.13 159.33 47.33 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.049 1.832 . . . . 0.0 112.49 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -134.91 -23.61 1.54 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.126 1.371 . . . . 0.0 113.678 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -153.38 54.66 0.75 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.073 1.749 . . . . 0.0 109.544 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 129.82 40.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.808 1.29 . . . . 0.0 113.334 -170.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -63.24 -39.75 95.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.749 2.02 . . . . 0.0 111.444 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.52 -43.11 91.05 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.572 1.149 . . . . 0.0 111.109 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.9 t -64.35 -38.24 90.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.983 0.513 . . . . 0.0 112.326 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.19 -45.97 75.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.529 -0.732 . . . . 0.0 112.545 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.67 -26.6 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.771 1.228 . . . . 0.0 113.223 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -84.49 -21.45 30.61 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.858 -1.151 . . . . 0.0 113.921 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.39 -27.91 28.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.707 1.146 . . . . 0.0 115.303 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.66 179.84 3.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.103 1.761 . . . . 0.0 114.042 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.63 168.68 11.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.362 1.465 . . . . 0.0 112.418 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -60.81 -23.16 64.85 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.06 -32.84 74.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.491 1.116 . . . . 0.0 112.431 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -74.37 -33.75 63.16 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.419 1.088 . . . . 0.0 112.111 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.06 -47.02 78.82 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.078 0.551 . . . . 0.0 110.644 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.79 70.94 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.618 -0.676 . . . . 0.0 112.739 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.16 64.16 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.91 -27.54 5.37 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.81 -34.77 62.43 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.524 1.13 . . . . 0.0 111.77 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 -128.27 46.58 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.72 1.152 . . . . 0.0 113.103 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.19 -19.14 62.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.558 1.143 . . . . 0.0 113.907 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -94.36 8.53 41.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.192 1.397 . . . . 0.0 114.275 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.65 149.09 36.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.388 -0.82 . . . . 0.0 110.98 167.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.486 HG22 HD21 ' A' ' 70' ' ' ASN . 5.5 tp -60.45 143.25 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.221 0.608 . . . . 0.0 112.351 -172.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.88 -0.34 57.51 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -94.49 -7.5 41.11 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.845 1.658 . . . . 0.0 113.684 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.35 -177.73 45.7 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 124.681 1.134 . . . . 0.0 114.439 -170.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.32 -169.98 54.66 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.595 1.093 . . . . 0.0 114.199 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.88 -8.73 0.53 Allowed Glycine 0 CA--C 1.536 1.384 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -79.6 -19.7 48.68 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.06 -154.83 52.94 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.311 0.959 . . . . 0.0 113.802 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.08 -147.49 16.51 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.828 1.204 . . . . 0.0 113.703 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.94 52.13 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.719 1.152 . . . . 0.0 113.872 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -148.09 168.29 22.76 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 112.144 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.46 -155.74 27.27 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.244 1.402 . . . . 0.0 113.866 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.04 168.31 41.39 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.756 1.17 . . . . 0.0 113.535 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.91 -15.94 63.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.325 0.964 . . . . 0.0 115.336 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.9 p -73.93 -11.56 60.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.627 1.571 . . . . 0.0 114.541 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.99 143.97 57.6 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.851 0.86 . . . . 0.0 113.033 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.36 154.32 38.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.352 1.461 . . . . 0.0 112.837 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -72.89 144.96 86.06 Favored Pre-proline 0 N--CA 1.475 0.8 0 C-N-CA 123.668 0.787 . . . . 0.0 111.413 165.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.12 146.51 41.19 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.272 2.648 . . . . 0.0 112.909 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.4 p -87.59 163.11 16.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.185 1.394 . . . . 0.0 111.502 167.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 t -65.05 130.49 43.53 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.669 -0.644 . . . . 0.0 111.552 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -160.04 156.28 26.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.687 1.595 . . . . 0.0 111.419 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -66.54 143.33 57.12 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.86 0.864 . . . . 0.0 112.008 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.92 92.54 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 114.554 0.582 . . . . 0.0 114.554 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -64.0 -29.96 71.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 112.483 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.13 -51.85 6.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.844 1.658 . . . . 0.0 111.184 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -64.55 -53.7 43.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.391 1.476 . . . . 0.0 112.719 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.55 -45.16 88.31 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.282 0.633 . . . . 0.0 111.959 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.81 -54.06 47.41 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.143 0.577 . . . . 0.0 111.763 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.92 -38.39 88.24 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.683 -0.636 . . . . 0.0 112.234 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -58.02 -58.42 8.48 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.403 0.681 . . . . 0.0 111.23 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -65.32 -36.59 84.51 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.84 -31.69 65.02 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.957 0.799 . . . . 0.0 112.545 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 t -71.38 -24.74 62.13 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -82.27 -30.53 30.6 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.8 1.24 . . . . 0.0 112.608 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.0 156.54 38.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.822 1.249 . . . . 0.0 112.922 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 160.4 31.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.656 1.182 . . . . 0.0 112.572 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.43 -37.11 79.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.188 -0.945 . . . . 0.0 112.249 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.486 HD21 HG22 ' A' ' 32' ' ' ILE . 7.7 m120 -64.91 -41.05 95.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 111.691 175.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.86 -40.28 87.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.944 0.898 . . . . 0.0 112.253 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.77 -45.45 89.78 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.686 1.194 . . . . 0.0 112.079 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.93 -40.24 97.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.705 0.684 . . . . 0.0 112.419 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.35 63.81 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.68 -38.05 89.69 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.11 -0.994 . . . . 0.0 110.799 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.07 85.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.916 0.886 . . . . 0.0 112.608 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 -45.49 77.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.767 0.827 . . . . 0.0 111.328 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -60.73 -45.17 95.27 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.245 -0.909 . . . . 0.0 112.494 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.38 -22.67 61.1 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -74.23 -32.3 62.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.587 1.085 . . . . 0.0 112.732 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.64 -32.18 62.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.205 1.002 . . . . 0.0 112.796 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -85.06 -31.55 23.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.96 -19.18 65.68 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 120.685 -1.26 . . . . 0.0 113.078 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.85 -15.26 30.27 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -32.93 13.52 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.539 1.063 . . . . 0.0 112.451 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.86 161.27 26.69 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.867 0.867 . . . . 0.0 113.158 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.353 0 C-N-CA 125.604 1.573 . . . . 0.0 113.899 177.101 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 CA-C-O 119.961 -0.355 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.27 -15.06 28.51 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.219 3.279 . . . . 0.0 114.486 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.61 -178.31 34.49 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.509 1.528 . . . . 0.0 113.264 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 97.9 p -149.41 160.54 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.857 1.263 . . . . 0.0 112.305 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -109.18 -8.59 15.11 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -171.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.86 146.18 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 128.782 2.833 . . . . 0.0 115.412 -173.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -70.98 152.63 63.17 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.638 2.892 . . . . 0.0 113.616 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.74 -18.24 0.16 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.098 1.359 . . . . 0.0 114.1 173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -127.3 23.85 6.36 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.601 1.96 . . . . 0.0 112.95 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -69.48 166.18 19.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.434 1.494 . . . . 0.0 113.19 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -57.23 -34.43 68.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.488 1.115 . . . . 0.0 111.901 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.93 -46.03 92.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.396 1.078 . . . . 0.0 111.29 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.3 m -72.48 -29.97 64.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.008 0.923 . . . . 0.0 113.226 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.97 -45.51 85.38 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.241 -0.912 . . . . 0.0 112.144 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.71 -30.73 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.462 1.505 . . . . 0.0 112.783 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -74.47 -27.99 60.82 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 169.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.68 -42.53 31.8 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 123.635 0.636 . . . . 0.0 113.663 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.69 164.53 25.2 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.986 1.315 . . . . 0.0 113.249 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.3 177.72 4.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.469 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -58.88 -30.97 68.16 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.1 -33.84 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.627 0.771 . . . . 0.0 112.132 174.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -75.88 -38.16 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.842 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.64 -48.47 81.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.172 0.589 . . . . 0.0 110.931 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.99 -34.88 76.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.7 71.78 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.86 -28.86 39.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.14 -61.24 2.01 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.12 0.873 . . . . 0.0 111.749 169.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.5 110.2 0.04 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.04 1.305 . . . . 0.0 113.996 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 62.21 -38.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 129.307 3.043 . . . . 0.0 116.688 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.09 -3.54 45.87 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.782 1.633 . . . . 0.0 114.052 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.93 146.67 13.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.71 0.804 . . . . 0.0 110.221 161.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.465 HD13 ' HE2' ' B' ' 169' ' ' LYS . 7.3 tp -55.57 138.39 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -168.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -116.42 18.54 15.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.061 1.344 . . . . 0.0 113.143 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 54.14 26.83 6.98 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.277 1.831 . . . . 0.0 114.176 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -137.03 -150.77 5.83 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.024 1.774 . . . . 0.0 113.737 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.13 -153.56 6.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.9 1.238 . . . . 0.0 112.74 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 153.74 -144.7 11.59 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.425 1.012 . . . . 0.0 113.434 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 19.4 t -145.69 174.88 10.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.67 1.588 . . . . 0.0 111.692 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -171.1 168.98 42.1 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 126.053 1.787 . . . . 0.0 113.233 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.24 -92.55 0.02 OUTLIER Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.229 1.871 . . . . 0.0 116.123 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 173.95 142.61 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 CA-C-N 117.634 0.717 . . . . 0.0 114.715 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 38.9 t -153.13 154.12 34.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.799 2.04 . . . . 0.0 110.556 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 157.93 -169.93 34.74 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 125.336 1.446 . . . . 0.0 113.046 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -145.19 -115.27 0.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.922 1.248 . . . . 0.0 113.282 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 169.87 -170.25 42.68 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.558 1.552 . . . . 0.0 113.64 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 47.3 m -138.49 159.42 42.12 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.5 1.52 . . . . 0.0 112.009 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 63.6 ttp -135.45 -29.07 1.09 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.889 1.275 . . . . 0.0 113.683 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -142.25 160.46 40.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.158 1.383 . . . . 0.0 112.35 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.78 152.42 90.38 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.207 1.403 . . . . 0.0 112.364 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.93 171.23 12.68 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.499 2.8 . . . . 0.0 112.456 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 43.7 p -62.75 155.19 27.32 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.965 0.906 . . . . 0.0 112.02 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 20.1 m -66.12 -24.68 66.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 32.7 t -71.94 146.44 47.8 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.223 1.009 . . . . 0.0 112.884 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.17 -2.36 29.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.799 1.639 . . . . 0.0 113.968 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.14 68.16 Favored Glycine 0 CA--C 1.539 1.537 0 O-C-N 120.948 -1.095 . . . . 0.0 114.553 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -73.42 -36.49 65.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.385 1.074 . . . . 0.0 112.063 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -74.24 -47.06 37.61 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.683 1.993 . . . . 0.0 111.466 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.18 -49.75 70.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.83 1.252 . . . . 0.0 112.219 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -62.88 -45.89 90.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.058 0.943 . . . . 0.0 111.832 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.7 -54.66 39.63 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.396 1.078 . . . . 0.0 111.572 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.58 -36.73 81.51 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.339 -0.851 . . . . 0.0 112.622 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.4 t -62.11 -48.62 79.34 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.23 1.012 . . . . 0.0 111.66 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.78 -41.68 95.65 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.352 -0.843 . . . . 0.0 111.877 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.47 -28.93 68.72 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 11.2 p -72.47 -28.95 63.23 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.496 1.043 . . . . 0.0 113.366 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -74.71 -42.12 58.94 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.496 1.519 . . . . 0.0 112.655 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.86 140.47 58.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.178 0.991 . . . . 0.0 111.607 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 31.6 t -72.65 164.42 26.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.737 1.615 . . . . 0.0 112.897 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' B' ' 132' ' ' ILE . 65.8 tttt -52.35 -42.57 64.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.552 -1.343 . . . . 0.0 113.1 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -63.77 -37.26 86.69 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.179 0.992 . . . . 0.0 112.25 176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.43 -38.0 71.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.62 1.168 . . . . 0.0 112.204 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.0 -40.41 89.13 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.808 0.843 . . . . 0.0 112.046 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.5 mtm -66.12 -43.96 85.65 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.895 -0.503 . . . . 0.0 111.781 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.26 76.8 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.19 -39.88 94.91 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.373 -0.83 . . . . 0.0 111.06 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.97 85.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.279 1.032 . . . . 0.0 111.771 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.11 -45.13 94.83 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.786 0.834 . . . . 0.0 111.599 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.57 -52.16 66.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.151 0.98 . . . . 0.0 112.303 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -24.89 63.26 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -74.1 -39.01 63.68 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.748 1.619 . . . . 0.0 111.982 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.73 -39.51 73.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.379 1.072 . . . . 0.0 112.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -76.94 -30.66 56.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -74.41 -30.38 61.91 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.494 1.043 . . . . 0.0 113.173 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.31 -8.68 58.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -109.62 9.0 25.17 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.466 1.506 . . . . 0.0 113.688 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.8 148.97 50.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.057 0.943 . . . . 0.0 112.979 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.365 0 C-N-CA 125.54 1.543 . . . . 0.0 113.805 176.899 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 CA-C-O 119.665 -0.519 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.15 160.32 35.02 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.058 3.172 . . . . 0.0 114.481 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.15 147.82 12.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.181 1.372 . . . . 0.0 112.814 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.8 m -78.58 134.11 37.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.613 1.165 . . . . 0.0 113.172 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.0 -19.78 14.09 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.47 150.24 0.1 OUTLIER Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.367 2.267 . . . . 0.0 113.95 -165.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.98 125.51 13.76 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.792 2.328 . . . . 0.0 112.196 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.41 -12.16 47.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.447 1.099 . . . . 0.0 113.161 169.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.02 5.83 31.6 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.366 1.866 . . . . 0.0 114.158 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 p -62.03 158.2 17.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.453 1.101 . . . . 0.0 113.237 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -58.5 -25.16 62.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.0 -43.54 95.14 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.999 1.272 . . . . 0.0 111.094 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -66.2 -38.64 88.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.625 0.77 . . . . 0.0 112.293 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -66.05 -48.81 69.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.877 0.871 . . . . 0.0 112.085 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.6 mm -69.9 -31.34 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.935 1.294 . . . . 0.0 112.254 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -69.67 -26.35 64.34 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.075 -1.016 . . . . 0.0 113.692 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.47 -29.33 16.92 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.03 -177.93 4.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.193 1.797 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.47 172.47 11.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.53 1.532 . . . . 0.0 113.535 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.41 -27.85 67.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -65.81 -32.14 73.5 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.255 -0.903 . . . . 0.0 112.366 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -73.79 -32.91 64.0 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.613 1.165 . . . . 0.0 111.981 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.66 -46.13 66.81 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.654 0.782 . . . . 0.0 111.505 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.71 70.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.538 -0.726 . . . . 0.0 112.958 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -16.85 64.58 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.04 -28.02 5.22 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.43 -37.96 71.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 111.876 170.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.86 -122.5 28.93 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.574 1.083 . . . . 0.0 113.728 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.13 -27.0 65.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.187 1.395 . . . . 0.0 113.415 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -92.94 7.14 45.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.879 1.671 . . . . 0.0 114.084 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 149.33 40.16 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.543 -1.348 . . . . 0.0 112.459 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.453 HG22 HD21 ' A' ' 70' ' ' ASN . 5.6 tp -64.75 147.83 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 123.983 0.913 . . . . 0.0 113.076 -173.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -99.28 7.08 45.98 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.566 1.547 . . . . 0.0 113.717 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -116.87 159.99 21.55 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.306 1.842 . . . . 0.0 113.395 -173.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.88 -177.8 42.92 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.215 0.912 . . . . 0.0 113.828 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.74 -12.34 70.48 Favored Glycine 0 CA--C 1.537 1.455 0 N-CA-C 115.607 1.003 . . . . 0.0 115.607 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.2 -160.98 54.18 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.832 1.206 . . . . 0.0 114.458 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.3 p -149.55 165.79 31.14 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.782 1.633 . . . . 0.0 111.655 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.8 -172.12 33.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.165 0.888 . . . . 0.0 114.155 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.27 166.22 36.08 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.378 0.989 . . . . 0.0 113.969 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.24 42.02 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 124.728 1.156 . . . . 0.0 113.461 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -149.43 144.83 26.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.663 2.785 . . . . 0.0 111.362 0.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.48 160.51 41.83 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.229 0.918 . . . . 0.0 113.532 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 -177.81 36.06 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.553 1.073 . . . . 0.0 115.119 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.58 150.43 38.2 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.303 0.954 . . . . 0.0 113.492 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.0 t -69.52 -39.8 77.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.81 0.844 . . . . 0.0 112.847 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 27.8 ttt -153.75 120.21 5.52 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.371 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -157.8 163.78 37.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.289 1.436 . . . . 0.0 112.004 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 150.95 87.43 Favored Pre-proline 0 N--CA 1.479 1.022 0 C-N-CA 125.324 1.45 . . . . 0.0 111.549 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.35 155.99 67.35 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.644 2.896 . . . . 0.0 113.414 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -82.85 -12.45 57.42 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.271 1.428 . . . . 0.0 114.455 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m 56.57 35.6 26.3 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.477 1.511 . . . . 0.0 113.999 -174.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 t -62.24 153.63 29.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.06 1.344 . . . . 0.0 113.215 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -75.63 -6.09 48.67 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.009 1.723 . . . . 0.0 114.159 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.05 -46.05 2.26 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 126.326 1.917 . . . . 0.0 115.431 163.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -59.88 -34.73 73.53 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.224 1.012 . . . . 0.0 111.547 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.83 -49.56 72.33 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.333 1.853 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -64.41 -42.97 95.78 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.854 0.862 . . . . 0.0 112.672 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -51.55 68.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.299 1.04 . . . . 0.0 111.142 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -65.18 -48.36 73.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.419 -0.8 . . . . 0.0 112.1 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -66.54 -32.27 73.51 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.27 -0.894 . . . . 0.0 112.734 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -62.41 -50.31 72.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.361 0.664 . . . . 0.0 111.52 171.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -58.14 -47.67 82.59 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.553 -0.717 . . . . 0.0 111.725 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.75 -19.7 64.35 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -74.76 -41.57 59.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.327 -1.483 . . . . 0.0 112.007 166.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -76.5 -38.34 55.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.755 1.622 . . . . 0.0 114.621 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.63 157.73 33.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.473 1.509 . . . . 0.0 112.691 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.041 1.336 . . . . 0.0 111.7 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -53.72 -35.72 61.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.86 -1.15 . . . . 0.0 112.119 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.453 HD21 HG22 ' A' ' 32' ' ' ILE . 10.6 m120 -64.43 -39.27 93.5 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.813 0.845 . . . . 0.0 112.211 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.76 -40.55 79.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.036 0.934 . . . . 0.0 111.931 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.1 -40.95 95.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.154 0.888 . . . . 0.0 112.461 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 53.0 mtm -59.86 -44.97 93.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.902 0.774 . . . . 0.0 112.045 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.76 64.96 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.97 -36.92 85.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.669 1.122 . . . . 0.0 111.188 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.94 88.21 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.793 0.837 . . . . 0.0 111.55 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -45.9 91.8 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.53 -47.02 85.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.782 0.833 . . . . 0.0 113.123 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.73 -28.49 67.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.15 0.886 . . . . 0.0 112.383 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -74.52 -31.51 62.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.53 1.132 . . . . 0.0 113.099 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -74.5 -39.04 62.67 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.515 1.126 . . . . 0.0 112.312 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.01 -35.01 57.41 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.423 -0.798 . . . . 0.0 113.131 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.89 -31.02 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.015 -1.053 . . . . 0.0 113.342 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.76 -6.1 55.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.018 1.327 . . . . 0.0 114.512 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -113.68 4.66 16.14 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.8 1.24 . . . . 0.0 114.16 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.2 154.43 41.28 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.221 -0.924 . . . . 0.0 112.513 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.277 0 C-N-CA 125.332 1.444 . . . . 0.0 113.143 -179.105 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.828 -0.984 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.08 156.4 65.96 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.585 2.857 . . . . 0.0 112.598 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.77 157.36 52.5 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.1 0.857 . . . . 0.0 113.95 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.3 m -82.66 4.01 26.66 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 63.11 -44.8 0.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.77 3.228 . . . . 0.0 116.483 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.62 148.95 0.1 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 128.703 2.801 . . . . 0.0 115.861 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.83 153.39 72.98 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.429 2.753 . . . . 0.0 113.402 176.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.56 -17.14 9.39 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.875 1.67 . . . . 0.0 112.541 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -104.2 35.65 2.62 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.035 2.534 . . . . 0.0 112.122 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 77.8 p -56.7 158.56 4.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.625 1.57 . . . . 0.0 114.129 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -64.0 -33.84 76.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 113.547 -168.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.8 -38.99 83.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.561 0.744 . . . . 0.0 111.905 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.2 m -63.11 -28.78 70.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -78.3 -48.38 15.8 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.26 -0.9 . . . . 0.0 111.275 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.2 mm -66.14 -31.34 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.981 1.312 . . . . 0.0 113.017 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.63 -21.93 57.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.672 1.189 . . . . 0.0 113.423 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.73 -38.7 9.3 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.532 1.063 . . . . 0.0 114.399 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -75.13 176.08 7.63 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.487 1.515 . . . . 0.0 113.494 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 178.15 7.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.251 1.02 . . . . 0.0 113.373 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -58.92 -29.39 67.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.688 1.195 . . . . 0.0 114.158 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.02 -34.27 78.03 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.588 -0.695 . . . . 0.0 112.586 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -77.13 -39.44 49.34 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.765 1.226 . . . . 0.0 111.481 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.31 -47.46 85.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.832 0.853 . . . . 0.0 110.916 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.5 77.84 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.7 79.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.412 0.685 . . . . 0.0 112.605 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.27 -29.73 28.18 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.52 -41.05 40.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.398 1.079 . . . . 0.0 111.861 171.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.8 -128.9 41.14 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.883 0.754 . . . . 0.0 113.164 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -8.81 19.0 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -101.07 10.34 41.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.693 1.597 . . . . 0.0 113.324 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.43 151.76 23.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.81 1.244 . . . . 0.0 112.781 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.84 147.34 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 113.345 -169.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -115.05 17.77 16.64 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.232 1.413 . . . . 0.0 113.6 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -145.6 157.34 43.99 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.592 1.557 . . . . 0.0 112.32 -172.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -80.71 -166.28 34.87 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.531 1.539 . . . . 0.0 114.411 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.4 -153.47 9.04 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.23 1.395 . . . . 0.0 113.087 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.83 162.43 42.13 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.064 0.84 . . . . 0.0 114.492 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 15.7 t -64.93 152.67 42.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.328 1.051 . . . . 0.0 113.109 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.19 165.73 48.85 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 124.627 1.108 . . . . 0.0 114.382 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.24 -178.84 48.95 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.379 0.99 . . . . 0.0 114.18 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -76.42 167.7 54.61 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.172 0.891 . . . . 0.0 114.487 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 89.3 p -78.2 -0.1 27.19 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.442 1.497 . . . . 0.0 114.859 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 98.32 3.68 57.58 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.228 1.394 . . . . 0.0 115.612 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.56 167.14 39.31 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 118.616 1.208 . . . . 0.0 113.251 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.34 145.43 37.52 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.904 0.764 . . . . 0.0 113.196 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 31.3 t -69.11 139.51 54.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.674 0.79 . . . . 0.0 112.021 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 25.1 ptp -158.41 167.66 29.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.185 1.394 . . . . 0.0 111.574 -175.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 57.48 33.5 23.35 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.01 1.724 . . . . 0.0 114.602 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.37 153.39 48.95 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.792 1.237 . . . . 0.0 111.685 172.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.17 144.43 75.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.586 2.19 . . . . 0.0 111.411 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 51.1 p -142.16 141.05 32.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.088 1.355 . . . . 0.0 110.793 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 91.8 p -157.78 178.34 10.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.065 1.346 . . . . 0.0 112.246 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.2 t -59.93 151.34 26.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.45 1.1 . . . . 0.0 112.861 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 63.42 -38.37 0.18 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.514 2.726 . . . . 0.0 115.495 -169.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 75.02 -24.33 1.3 Allowed Glycine 0 N--CA 1.474 1.216 0 C-N-CA 127.015 2.245 . . . . 0.0 116.867 162.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -57.67 -39.98 78.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.799 1.24 . . . . 0.0 112.956 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.11 -36.45 81.95 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.177 1.391 . . . . 0.0 112.542 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -73.17 -49.6 27.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.334 1.054 . . . . 0.0 111.293 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.05 -21.08 63.2 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -80.53 -58.08 3.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.926 0.89 . . . . 0.0 111.196 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.37 -39.27 92.62 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 88.8 p -65.77 -29.47 69.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -74.24 -46.7 39.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.87 -1.144 . . . . 0.0 111.724 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.22 -30.23 70.31 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.7 p -71.32 -27.56 63.47 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -91.22 -29.69 17.07 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.859 1.664 . . . . 0.0 113.624 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.32 151.05 47.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.277 1.431 . . . . 0.0 111.985 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 54.1 p -73.1 167.72 20.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.118 0.967 . . . . 0.0 113.185 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -56.44 -39.2 72.72 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.698 1.199 . . . . 0.0 112.305 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -68.32 -41.52 80.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.756 1.223 . . . . 0.0 113.115 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.22 -37.53 83.75 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.009 0.822 . . . . 0.0 112.222 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.35 -40.21 95.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.701 1.2 . . . . 0.0 112.277 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 37.1 mtm -59.86 -50.76 72.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.46 0.573 . . . . 0.0 111.55 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.24 87.0 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.43 -40.56 95.98 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.56 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.85 85.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.08 0.952 . . . . 0.0 111.865 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -48.24 78.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.937 0.895 . . . . 0.0 110.733 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.9 -49.31 78.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.927 0.891 . . . . 0.0 112.79 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.33 -25.61 64.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.738 0.699 . . . . 0.0 112.609 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -77.22 -40.0 46.55 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.907 0.883 . . . . 0.0 112.266 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.28 -34.94 79.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.879 0.871 . . . . 0.0 112.666 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -85.47 -23.47 27.79 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.8 -30.28 35.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.208 1.367 . . . . 0.0 113.073 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.49 -13.3 62.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -97.18 1.65 50.08 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.872 1.269 . . . . 0.0 114.35 174.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.26 150.92 47.67 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.044 -1.035 . . . . 0.0 112.273 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 C-N-CA 125.415 1.484 . . . . 0.0 113.23 177.228 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.476 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -59.82 164.24 12.15 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 124.082 3.188 . . . . 0.0 114.565 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.98 -20.01 68.34 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.29 0.948 . . . . 0.0 114.996 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.0 t -151.84 139.19 19.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.496 1.519 . . . . 0.0 111.02 167.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -93.14 -11.9 31.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.087 1.355 . . . . 0.0 113.951 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.11 150.22 0.11 Allowed Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.281 2.632 . . . . 0.0 115.243 -173.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.98 156.94 59.3 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.224 2.616 . . . . 0.0 112.837 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.52 -15.77 0.93 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.241 1.416 . . . . 0.0 113.737 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -88.01 -6.11 58.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.141 1.776 . . . . 0.0 113.856 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -65.6 152.73 43.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.073 1.349 . . . . 0.0 111.666 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.74 -48.13 75.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.664 1.185 . . . . 0.0 113.889 -164.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.46 79.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.24 0.616 . . . . 0.0 111.101 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -63.92 -35.9 82.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.226 1.011 . . . . 0.0 112.69 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.49 -48.87 63.31 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.936 0.895 . . . . 0.0 111.629 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.1 mm -65.16 -32.16 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.689 1.196 . . . . 0.0 112.549 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.76 -30.18 67.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.72 -31.28 15.93 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.56 179.2 6.1 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.792 1.237 . . . . 0.0 114.294 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.19 168.21 12.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.731 1.612 . . . . 0.0 112.69 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -167.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -64.2 -31.61 72.87 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.21 -0.931 . . . . 0.0 112.722 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.87 -25.72 40.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.513 1.125 . . . . 0.0 112.347 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.39 -49.76 52.34 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.704 0.802 . . . . 0.0 110.067 167.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.46 -29.69 66.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.037 0.935 . . . . 0.0 113.443 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.27 65.24 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.38 -26.19 5.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -72.59 -36.38 68.14 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.238 1.015 . . . . 0.0 112.196 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.5 -129.4 49.55 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.702 1.144 . . . . 0.0 113.281 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.01 -35.74 73.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 112.542 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -77.09 5.05 8.86 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 113.375 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.75 137.92 57.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.215 -0.928 . . . . 0.0 111.261 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.445 HD13 ' HE2' ' A' ' 69' ' ' LYS . 3.7 tp -67.84 145.6 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.9 0.88 . . . . 0.0 112.888 -169.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -97.48 1.12 48.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.631 1.172 . . . . 0.0 113.981 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -95.16 -9.89 32.12 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.01 1.724 . . . . 0.0 114.021 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 6.79 88.1 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 125.036 1.303 . . . . 0.0 115.994 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.63 -167.89 51.84 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 118.794 1.297 . . . . 0.0 114.449 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.47 170.95 32.94 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.2 t -154.37 165.76 35.35 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.708 2.003 . . . . 0.0 111.448 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -154.96 -177.95 28.77 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.724 1.63 . . . . 0.0 114.029 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.04 -133.21 1.45 Allowed Glycine 0 CA--C 1.538 1.502 0 C-N-CA 123.94 0.781 . . . . 0.0 114.84 -173.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.35 -147.68 18.73 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.104 1.335 . . . . 0.0 113.162 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -59.99 140.08 57.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.156 1.382 . . . . 0.0 113.636 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.47 174.95 35.49 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.181 1.372 . . . . 0.0 114.135 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.59 0.49 85.48 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.764 1.173 . . . . 0.0 115.64 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.46 -16.59 55.16 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-N 118.926 1.363 . . . . 0.0 116.126 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -73.66 -17.39 61.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.653 1.181 . . . . 0.0 113.683 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.6 tpt -72.42 147.82 45.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.499 1.12 . . . . 0.0 113.059 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -65.52 159.05 25.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.862 1.265 . . . . 0.0 112.621 175.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -60.45 146.38 84.88 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.146 0.978 . . . . 0.0 113.327 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.63 155.35 54.55 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.548 2.832 . . . . 0.0 112.933 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -75.56 -19.29 59.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.619 1.167 . . . . 0.0 113.538 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 t -150.42 161.6 42.19 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.441 1.496 . . . . 0.0 111.9 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -74.18 33.73 0.09 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.95 2.1 . . . . 0.0 115.739 -169.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.32 155.95 39.58 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.86 -1.15 . . . . 0.0 112.457 173.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.81 -17.76 0.06 OUTLIER Glycine 0 N--CA 1.476 1.36 0 N-CA-C 116.385 1.314 . . . . 0.0 116.385 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -56.1 -36.78 68.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.1 1.45 . . . . 0.0 113.035 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.34 -42.13 75.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.954 1.302 . . . . 0.0 111.766 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.34 -42.62 79.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.049 0.94 . . . . 0.0 111.518 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.63 -38.22 80.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.774 1.229 . . . . 0.0 112.311 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -74.01 -55.69 5.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.202 1.001 . . . . 0.0 111.924 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.54 -33.27 75.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.393 1.077 . . . . 0.0 113.76 -171.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 m -63.09 -31.17 72.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.527 -0.733 . . . . 0.0 112.719 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -72.56 -49.12 34.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.153 0.981 . . . . 0.0 110.51 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.54 -36.93 79.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.625 0.77 . . . . 0.0 112.478 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.5 p -67.97 -26.57 66.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.355 0.979 . . . . 0.0 113.448 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -86.44 -33.97 20.26 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.799 1.64 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 153.53 39.86 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.481 1.112 . . . . 0.0 111.571 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 t -76.04 160.6 29.65 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.194 0.998 . . . . 0.0 111.703 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HE2' HD13 ' A' ' 32' ' ' ILE . 62.2 tttt -56.53 -40.25 74.75 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.843 -1.16 . . . . 0.0 112.353 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -60.77 -39.58 89.35 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.55 -0.719 . . . . 0.0 112.566 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.63 -38.92 80.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.181 0.993 . . . . 0.0 111.972 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.3 -47.19 87.07 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.496 0.718 . . . . 0.0 111.82 173.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mtp -60.21 -38.17 82.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.39 -44.52 44.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.36 -39.72 92.66 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.81 1.187 . . . . 0.0 111.512 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.27 83.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.31 1.044 . . . . 0.0 112.558 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.34 -49.98 61.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.249 1.02 . . . . 0.0 110.89 173.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.69 -46.64 86.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.645 0.778 . . . . 0.0 112.896 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.06 -27.99 66.99 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.82 -33.38 57.97 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.507 1.049 . . . . 0.0 112.212 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.67 -34.75 58.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.394 1.077 . . . . 0.0 112.418 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -77.69 -37.34 49.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.4 -23.92 65.61 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.03 -1.044 . . . . 0.0 113.02 -171.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -83.21 -6.47 59.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.152 1.381 . . . . 0.0 114.59 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -120.79 -15.7 8.32 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.19 160.98 31.11 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.487 1.04 . . . . 0.0 112.499 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.327 0 C-N-CA 125.528 1.537 . . . . 0.0 113.849 177.624 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 CA-C-O 119.649 -0.528 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -61.86 149.59 89.5 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.7 2.933 . . . . 0.0 112.804 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.83 -11.38 53.69 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.227 1.394 . . . . 0.0 115.438 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 37.0 p -86.79 172.56 10.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.047 1.423 . . . . 0.0 112.339 170.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.04 -14.63 62.77 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.19 162.81 0.11 Allowed Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 128.474 2.71 . . . . 0.0 115.706 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -63.51 164.45 20.72 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 113.883 174.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.29 -22.43 1.03 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -92.93 30.69 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.839 1.656 . . . . 0.0 112.518 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -69.44 -11.65 61.0 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.517 1.527 . . . . 0.0 114.394 -175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.66 -31.69 66.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.219 1.008 . . . . 0.0 112.95 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -34.25 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.516 1.126 . . . . 0.0 112.631 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.8 t -66.6 -34.13 77.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 0.0 112.201 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.56 -43.56 66.14 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.485 -0.759 . . . . 0.0 111.851 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.72 -33.7 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.31 1.044 . . . . 0.0 112.74 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.773 0.829 . . . . 0.0 113.219 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.64 -31.59 8.68 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.149 1.22 . . . . 0.0 116.149 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.56 171.97 10.44 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.41 167.86 9.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.081 1.353 . . . . 0.0 113.009 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -63.01 -23.56 67.51 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.28 -32.56 74.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.98 0.809 . . . . 0.0 112.421 169.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.17 -32.42 56.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.217 1.007 . . . . 0.0 112.032 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.65 -51.88 65.5 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.168 0.587 . . . . 0.0 110.373 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.34 70.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.705 0.802 . . . . 0.0 113.057 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.75 66.62 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.86 -25.85 8.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.16 -36.22 64.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.449 1.1 . . . . 0.0 112.144 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.7 51.57 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.168 0.889 . . . . 0.0 113.268 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -16.85 63.99 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -83.17 1.57 39.87 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 169.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -53.71 140.59 29.03 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.94 -1.1 . . . . 0.0 111.393 172.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 tp -62.36 151.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -165.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -110.56 13.4 22.63 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.757 1.223 . . . . 0.0 114.023 -168.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -135.49 2.18 2.94 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.821 1.649 . . . . 0.0 114.77 -171.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.22 -179.58 53.24 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.182 1.372 . . . . 0.0 113.977 -171.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.9 -140.43 4.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.29 1.424 . . . . 0.0 112.996 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.24 20.62 35.06 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.045 1.307 . . . . 0.0 114.886 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 9.0 m -63.47 -26.92 68.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.31 138.23 40.89 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.835 1.207 . . . . 0.0 115.678 -168.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.31 154.14 8.92 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.48 1.514 . . . . 0.0 113.114 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 71.75 -9.62 4.76 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.452 1.741 . . . . 0.0 117.452 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -76.79 155.42 33.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.683 1.742 . . . . 0.0 112.436 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 77.67 167.29 29.05 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 124.527 1.06 . . . . 0.0 113.817 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.7 18.31 72.03 Favored Glycine 0 CA--C 1.54 1.638 0 O-C-N 121.856 -0.791 . . . . 0.0 115.062 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.21 165.71 48.91 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.942 1.258 . . . . 0.0 114.842 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 33.4 m -63.27 137.89 58.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.705 1.202 . . . . 0.0 113.335 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.86 -24.79 63.49 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.965 1.306 . . . . 0.0 113.511 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -76.11 -2.54 31.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -72.71 143.41 84.69 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 124.043 0.937 . . . . 0.0 112.762 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.74 155.94 57.82 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.595 2.864 . . . . 0.0 113.636 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 6.0 t -156.68 139.06 14.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.108 1.363 . . . . 0.0 110.821 171.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 34.3 t -151.46 75.6 1.18 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.056 1.742 . . . . 0.0 109.644 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m 59.42 22.68 11.16 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.679 1.591 . . . . 0.0 114.323 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -144.2 -176.42 5.01 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.177 2.191 . . . . 0.0 110.568 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.65 -26.63 3.09 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 120.768 -1.207 . . . . 0.0 114.404 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -60.13 -41.92 93.7 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.719 1.259 . . . . 0.0 111.491 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -65.68 -39.97 91.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.138 1.375 . . . . 0.0 112.44 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.68 -41.73 59.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.435 1.094 . . . . 0.0 112.421 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.6 -42.74 98.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.59 1.156 . . . . 0.0 111.425 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.61 -49.74 69.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.78 1.232 . . . . 0.0 112.151 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 67.3 tp -60.03 -41.42 92.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.106 0.963 . . . . 0.0 112.848 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 63.5 m -63.03 -43.23 99.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.343 0.657 . . . . 0.0 112.014 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -62.52 -50.83 69.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.321 1.048 . . . . 0.0 111.698 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.1 -35.43 78.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.618 0.767 . . . . 0.0 112.334 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.6 t -63.24 -35.5 80.53 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.588 0.755 . . . . 0.0 112.891 172.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -84.78 -32.67 23.26 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 154.23 25.13 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.325 1.45 . . . . 0.0 113.48 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.4 t -61.35 154.73 23.19 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.55 1.14 . . . . 0.0 111.916 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.01 -30.17 70.14 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.981 -1.075 . . . . 0.0 111.817 170.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -69.76 -40.22 76.24 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.677 0.791 . . . . 0.0 112.911 171.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.251 1.02 . . . . 0.0 111.9 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.97 -39.49 78.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.919 1.288 . . . . 0.0 112.165 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.07 -42.76 79.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.175 0.59 . . . . 0.0 112.584 171.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.19 69.8 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.42 -38.84 92.42 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.486 1.039 . . . . 0.0 111.212 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.82 86.82 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.163 0.985 . . . . 0.0 111.854 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.54 70.61 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.752 0.821 . . . . 0.0 110.715 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.43 -45.18 95.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.852 0.861 . . . . 0.0 113.053 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.98 -29.33 68.33 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.284 0.947 . . . . 0.0 113.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -76.51 -33.62 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.266 1.026 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.02 -36.75 78.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.453 1.101 . . . . 0.0 112.77 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -79.33 -36.56 39.31 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -70.7 -25.29 62.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.904 1.229 . . . . 0.0 113.511 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.58 -6.72 53.15 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -133.7 -27.15 1.52 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 52.21 -175.33 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.558 2.343 . . . . 0.0 116.174 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.221 0 C-N-CA 125.181 1.372 . . . . 0.0 113.138 -176.315 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -60.29 154.37 53.09 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 124.549 3.5 . . . . 0.0 114.299 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.88 173.18 48.23 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.067 0.841 . . . . 0.0 113.688 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -150.18 160.68 43.49 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.872 1.269 . . . . 0.0 112.507 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -76.05 -14.46 60.2 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.02 147.58 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.114 2.565 . . . . 0.0 114.34 -168.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.58 150.38 63.11 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.009 2.473 . . . . 0.0 112.476 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -130.36 -7.61 4.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -142.68 -0.5 1.19 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 t -66.77 -28.82 68.7 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.79 -1.194 . . . . 0.0 113.26 -172.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -64.31 -28.46 69.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.227 1.011 . . . . 0.0 113.653 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.81 -47.88 84.36 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.106 1.321 . . . . 0.0 110.479 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 m -65.8 -33.5 76.01 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.127 0.971 . . . . 0.0 112.535 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.39 -47.57 63.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.783 -0.573 . . . . 0.0 112.455 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -67.21 -27.39 39.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 124.983 1.313 . . . . 0.0 112.395 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.3 -43.54 85.97 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.952 -1.092 . . . . 0.0 112.446 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.55 -24.76 35.04 Favored Glycine 0 CA--C 1.537 1.412 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -168.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.57 -179.91 1.88 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.066 1.346 . . . . 0.0 113.866 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.3 171.59 9.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.72 1.208 . . . . 0.0 112.842 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -60.05 -25.72 65.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -65.26 -33.95 77.19 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.38 1.072 . . . . 0.0 112.328 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -73.82 -39.66 63.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.545 1.138 . . . . 0.0 111.762 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.36 -45.94 92.3 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.363 0.665 . . . . 0.0 111.054 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.44 73.98 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.22 78.48 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.243 0.929 . . . . 0.0 113.14 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.49 -30.76 14.86 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.87 -35.48 43.75 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.25 1.02 . . . . 0.0 111.765 170.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.67 -127.79 37.13 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.009 0.814 . . . . 0.0 112.933 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -57.56 -27.01 62.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.511 1.525 . . . . 0.0 113.477 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -95.38 5.56 51.32 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.338 1.455 . . . . 0.0 114.044 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.42 137.83 58.09 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.995 -1.066 . . . . 0.0 111.861 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 70' ' ' ASN . 2.3 tp -58.39 137.19 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.212 0.605 . . . . 0.0 111.417 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -81.52 -8.0 59.66 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.38 -11.9 59.89 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.967 1.307 . . . . 0.0 113.708 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.54 32.8 79.61 Favored Glycine 0 CA--C 1.544 1.874 0 O-C-N 121.665 -0.647 . . . . 0.0 114.32 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.09 0.39 30.94 Favored Glycine 0 CA--C 1.538 1.485 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 -168.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 6.34 3.75 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.662 1.601 . . . . 0.0 116.767 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -58.72 -14.08 7.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.981 1.712 . . . . 0.0 115.339 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 -16.35 68.8 Favored Glycine 0 CA--C 1.541 1.683 0 O-C-N 121.326 -0.859 . . . . 0.0 114.333 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 121.97 27.46 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 119.082 1.441 . . . . 0.0 111.986 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.12 -1.45 48.53 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.189 1.376 . . . . 0.0 115.364 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 t -91.68 148.3 22.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.821 1.31 . . . . 0.0 111.674 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.8 31.77 81.93 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.932 0.777 . . . . 0.0 114.839 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -26.85 70.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.471 1.034 . . . . 0.0 114.788 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.04 139.73 24.67 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.475 1.036 . . . . 0.0 111.612 171.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -154.7 158.58 39.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 112.682 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 24.5 ptp -68.17 154.54 41.5 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.784 1.634 . . . . 0.0 113.568 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -77.67 147.72 35.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.676 0.79 . . . . 0.0 111.607 167.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -154.8 156.35 31.31 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 125.344 1.458 . . . . 0.0 112.265 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.09 155.61 68.91 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.168 2.579 . . . . 0.0 112.913 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 p -81.41 156.81 25.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.281 1.433 . . . . 0.0 112.431 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.2 t -152.52 138.54 18.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.97 1.308 . . . . 0.0 111.798 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.4 m -66.21 -24.63 66.65 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 175.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -85.44 -12.58 51.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.793 1.237 . . . . 0.0 113.255 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.41 -2.71 35.72 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.763 1.649 . . . . 0.0 116.06 -171.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CZ2' ' HE2' ' A' ' 57' ' ' LYS . 42.3 p-90 -59.15 -26.98 65.23 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.766 1.283 . . . . 0.0 113.37 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE2' ' CZ2' ' A' ' 56' ' ' TRP . 14.8 ptpt -84.76 -45.93 11.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.095 1.358 . . . . 0.0 112.358 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.74 -49.06 50.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.414 1.086 . . . . 0.0 112.477 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.64 -27.93 64.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.265 0.626 . . . . 0.0 112.256 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -74.0 -55.37 6.23 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.518 1.127 . . . . 0.0 111.184 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.98 -34.39 77.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.233 0.613 . . . . 0.0 112.239 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.92 0.888 . . . . 0.0 112.298 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.85 -42.81 94.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.062 -1.024 . . . . 0.0 112.109 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.2 -28.8 69.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.7 0.682 . . . . 0.0 112.385 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 p -71.94 -28.94 63.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.549 1.068 . . . . 0.0 113.795 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.09 -44.88 52.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.664 1.186 . . . . 0.0 112.44 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 148.41 51.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.027 1.331 . . . . 0.0 112.739 -172.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -72.97 169.8 16.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.481 1.113 . . . . 0.0 113.66 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -47.94 -51.4 23.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.872 1.669 . . . . 0.0 112.364 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.425 HD21 HG22 ' A' ' 32' ' ' ILE . 12.8 m120 -66.71 -39.81 88.21 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.388 1.075 . . . . 0.0 111.985 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.83 -40.11 87.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.452 0.701 . . . . 0.0 112.661 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.93 -45.44 92.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.526 1.13 . . . . 0.0 112.092 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 mtp -62.72 -40.24 96.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.026 0.53 . . . . 0.0 112.42 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.26 61.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.22 -38.08 89.29 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.182 -0.949 . . . . 0.0 111.387 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.09 92.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.208 1.003 . . . . 0.0 112.11 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.86 -47.28 84.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.145 0.578 . . . . 0.0 111.371 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -60.83 -45.84 92.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.005 0.922 . . . . 0.0 113.106 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.97 -25.94 62.94 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.112 0.869 . . . . 0.0 113.311 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -71.15 -37.03 72.25 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.242 0.928 . . . . 0.0 112.359 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.79 -38.0 82.76 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.468 1.107 . . . . 0.0 112.878 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -78.99 -38.29 37.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.607 0.763 . . . . 0.0 112.729 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -69.65 -24.27 63.6 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 113.186 -170.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.24 -7.28 58.92 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -128.12 -11.66 5.26 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.12 159.21 31.42 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.908 1.231 . . . . 0.0 111.881 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.305 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.755 -179.521 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -74.01 -16.77 22.74 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.902 3.068 . . . . 0.0 114.891 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.34 -146.15 48.42 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 113.426 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.9 m -84.68 6.03 25.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 61.81 -42.36 0.15 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 129.288 3.035 . . . . 0.0 117.189 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.61 147.07 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.218 0 C-N-CA 128.862 2.865 . . . . 0.0 114.884 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.9 143.16 54.06 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.073 2.516 . . . . 0.0 113.119 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.07 -11.56 0.19 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.056 1.342 . . . . 0.0 114.372 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -144.36 30.0 1.27 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.394 1.878 . . . . 0.0 112.563 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.2 p -67.14 163.14 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.7 1.6 . . . . 0.0 112.346 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -62.66 -17.54 60.67 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.983 1.313 . . . . 0.0 113.438 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.63 -56.16 3.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.218 1.007 . . . . 0.0 111.378 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.5 p -69.35 -27.47 65.37 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.69 -43.78 71.77 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.076 -1.015 . . . . 0.0 111.492 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.403 HD13 HD21 ' B' ' 118' ' ' LEU . 37.9 mm -66.64 -31.19 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.105 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.76 -28.78 66.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 170.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -87.27 -32.38 14.11 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.483 1.04 . . . . 0.0 115.646 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.403 HD21 HD13 ' B' ' 115' ' ' ILE . 2.2 pp -75.05 -179.05 4.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.784 1.634 . . . . 0.0 113.732 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.65 175.8 8.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.022 1.329 . . . . 0.0 113.089 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -61.16 -25.51 67.06 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -174.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -65.95 -34.52 78.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.087 0.955 . . . . 0.0 112.168 172.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -75.89 -37.93 58.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.256 1.022 . . . . 0.0 111.863 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -47.01 85.45 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.64 -0.662 . . . . 0.0 111.517 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.84 76.69 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.06 68.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -29.44 11.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.7 -38.84 58.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.315 1.046 . . . . 0.0 111.923 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.74 -124.82 37.41 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.165 0.888 . . . . 0.0 112.816 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.03 -26.43 66.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.919 1.288 . . . . 0.0 113.658 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -87.82 1.95 52.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.812 1.245 . . . . 0.0 113.863 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.74 146.02 43.01 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.277 -0.889 . . . . 0.0 112.6 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.7 tp -59.33 140.58 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 112.483 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -94.77 0.36 54.87 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.25 159.89 32.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.901 1.28 . . . . 0.0 113.077 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -72.15 -7.79 68.1 Favored Glycine 0 CA--C 1.541 1.67 0 N-CA-C 115.789 1.076 . . . . 0.0 115.789 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -173.06 157.32 26.27 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.341 1.448 . . . . 0.0 112.5 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.58 156.1 40.37 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.472 1.034 . . . . 0.0 113.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 96.9 p -79.16 176.53 9.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.633 1.573 . . . . 0.0 112.751 173.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -179.1 172.28 44.39 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.757 1.17 . . . . 0.0 113.342 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -69.45 145.14 41.88 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.105 0.86 . . . . 0.0 113.559 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.6 -22.35 67.2 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 115.571 0.988 . . . . 0.0 115.571 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 56.0 m -146.29 150.81 36.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.348 1.459 . . . . 0.0 112.257 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.02 -17.05 75.5 Favored Glycine 0 CA--C 1.544 1.871 0 C-N-CA 124.087 0.851 . . . . 0.0 114.674 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 172.69 -171.27 44.25 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.481 1.515 . . . . 0.0 112.167 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -178.71 165.28 34.29 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.769 0.7 . . . . 0.0 114.615 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -88.53 11.53 16.93 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.243 1.817 . . . . 0.0 114.033 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 153.67 20.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.435 1.494 . . . . 0.0 113.896 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -81.99 136.54 35.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.76 1.224 . . . . 0.0 112.195 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -72.5 145.09 87.22 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 124.717 1.207 . . . . 0.0 112.234 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -69.3 167.41 23.93 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 123.071 2.514 . . . . 0.0 112.554 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 41.5 p -65.86 162.6 18.63 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.917 1.287 . . . . 0.0 112.958 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 16.9 p 61.42 21.91 12.41 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.072 2.149 . . . . 0.0 116.218 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 52.3 p -56.32 140.07 46.28 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.416 1.086 . . . . 0.0 112.098 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -144.8 -2.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 89.92 -51.47 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 126.376 1.941 . . . . 0.0 114.163 171.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -64.86 -44.78 88.59 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.587 1.193 . . . . 0.0 112.519 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.82 -39.55 63.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.751 1.22 . . . . 0.0 112.123 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.95 -51.71 68.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.785 1.234 . . . . 0.0 111.942 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.85 -50.91 64.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.536 0.734 . . . . 0.0 111.417 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -59.45 -48.52 81.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.551 0.74 . . . . 0.0 112.439 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.289 -0.882 . . . . 0.0 112.415 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 49.5 m -69.42 -19.54 63.8 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -79.16 -53.23 7.19 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.194 1.398 . . . . 0.0 110.533 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.66 -26.83 68.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.283 1.033 . . . . 0.0 113.242 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 84.8 p -65.3 -28.46 69.33 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.648 -1.283 . . . . 0.0 113.195 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -80.92 -42.99 20.49 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.884 1.273 . . . . 0.0 113.688 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.47 148.21 52.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.654 1.581 . . . . 0.0 112.405 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 57.0 p -69.59 162.38 27.71 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.373 1.069 . . . . 0.0 112.781 175.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.15 -35.83 65.15 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.209 -0.932 . . . . 0.0 112.917 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -66.06 -44.67 83.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.052 0.941 . . . . 0.0 111.865 173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.25 -38.36 87.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.786 0.834 . . . . 0.0 112.843 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.43 -44.32 95.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 111.691 174.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 62.5 mtm -61.38 -43.46 98.83 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 170.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.34 68.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.3 -40.57 97.71 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.335 0.97 . . . . 0.0 111.824 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.76 93.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.578 1.151 . . . . 0.0 112.84 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.99 -46.53 71.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.727 . . . . 0.0 110.784 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -58.96 -49.93 76.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.737 0.815 . . . . 0.0 112.534 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.56 -27.25 66.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.95 -43.37 54.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.087 0.955 . . . . 0.0 112.037 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.53 -38.21 88.98 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.841 0.856 . . . . 0.0 112.012 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -78.33 -31.16 48.57 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -76.11 -31.0 58.45 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.951 1.251 . . . . 0.0 113.326 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.71 -19.1 55.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -97.1 -20.96 17.63 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -87.24 155.9 19.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.415 1.086 . . . . 0.0 112.731 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.239 0 C-N-CA 125.339 1.447 . . . . 0.0 114.028 177.747 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 CA-C-O 119.559 -0.578 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.38 160.18 24.5 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.225 3.284 . . . . 0.0 114.065 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.05 105.46 1.63 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.698 0.666 . . . . 0.0 111.721 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 t 62.27 161.33 0.08 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.329 1.852 . . . . 0.0 114.583 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -126.08 -4.7 6.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.305 1.842 . . . . 0.0 113.513 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 147.76 94.61 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.631 1.572 . . . . 0.0 113.371 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.63 145.29 63.34 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.752 2.968 . . . . 0.0 113.918 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -2.84 15.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.809 1.644 . . . . 0.0 113.063 165.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -106.7 27.45 8.86 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.19 2.196 . . . . 0.0 112.481 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -59.29 158.27 9.47 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.044 1.338 . . . . 0.0 113.776 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -58.5 -33.17 69.53 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.729 1.212 . . . . 0.0 112.472 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.14 -44.67 91.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.231 1.012 . . . . 0.0 111.152 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 p -65.13 -31.75 73.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.7 -53.07 9.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.617 1.167 . . . . 0.0 112.007 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.57 -32.75 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.159 1.384 . . . . 0.0 113.375 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.11 -19.88 61.73 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.036 -1.04 . . . . 0.0 113.539 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.4 -28.28 20.22 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.864 1.221 . . . . 0.0 115.083 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.99 175.05 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.742 1.617 . . . . 0.0 113.777 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.42 175.23 8.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 113.512 -169.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -55.66 -32.06 62.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 114.322 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.95 -37.36 86.76 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.568 1.147 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.07 -39.04 42.93 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.893 1.277 . . . . 0.0 111.987 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.03 -46.69 88.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.57 0.748 . . . . 0.0 111.625 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.47 78.06 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.78 77.96 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -29.76 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.2 -53.55 9.59 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.05 0.841 . . . . 0.0 111.757 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.62 100.68 0.06 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.297 1.427 . . . . 0.0 114.039 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 62.5 -35.63 0.12 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 128.667 2.787 . . . . 0.0 117.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.05 -2.78 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.907 1.683 . . . . 0.0 113.787 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -58.76 152.6 18.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.155 2.182 . . . . 0.0 112.982 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' HE2' ' A' ' 69' ' ' LYS . 3.1 tp -64.52 154.55 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.376 -173.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -97.31 -15.14 20.9 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -82.62 173.97 11.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.565 1.546 . . . . 0.0 111.854 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.75 141.6 40.49 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.536 -0.727 . . . . 0.0 111.308 165.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -171.75 44.18 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 117.435 0.617 . . . . 0.0 114.506 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.2 159.33 22.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.085 1.326 . . . . 0.0 113.772 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 t 62.52 153.4 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.678 1.991 . . . . 0.0 114.659 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.36 167.96 11.13 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.772 1.653 . . . . 0.0 112.509 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.42 153.06 16.88 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.884 0.754 . . . . 0.0 114.335 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.19 -177.25 33.17 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.483 1.04 . . . . 0.0 113.899 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.3 m -77.6 -12.43 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.104 1.361 . . . . 0.0 114.58 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.61 154.91 53.4 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.741 1.163 . . . . 0.0 114.373 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.43 171.21 54.86 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.352 1.453 . . . . 0.0 114.267 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -20.24 77.98 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.21 0.909 . . . . 0.0 115.045 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.9 p -102.97 2.98 35.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.808 1.643 . . . . 0.0 113.869 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mtp -100.77 148.46 24.89 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.715 1.206 . . . . 0.0 112.126 -171.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -137.05 116.09 12.41 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 129.16 2.984 . . . . 0.0 111.168 6.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -66.87 157.04 85.61 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 125.594 1.557 . . . . 0.0 112.649 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.92 141.03 93.39 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 123.154 2.569 . . . . 0.0 112.321 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -145.68 166.74 24.94 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.961 1.705 . . . . 0.0 112.034 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.0 p -69.56 -37.33 76.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.079 0.952 . . . . 0.0 112.309 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -72.54 154.63 40.71 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.979 1.312 . . . . 0.0 112.041 168.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.86 -3.92 21.6 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.51 41.95 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 115.058 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -66.5 -33.62 76.1 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.574 1.187 . . . . 0.0 113.876 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -86.06 -42.14 14.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.52 -49.43 73.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.387 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -68.34 -42.52 79.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.318 0.647 . . . . 0.0 112.271 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 -46.31 83.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.194 0.998 . . . . 0.0 112.029 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -40.96 98.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.657 0.783 . . . . 0.0 112.086 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.3 t -60.56 -45.02 95.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 0.0 112.404 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -64.32 -51.84 61.46 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.519 1.528 . . . . 0.0 111.112 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.95 -28.39 69.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.945 0.898 . . . . 0.0 113.113 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -65.27 -30.26 71.12 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.059 -1.026 . . . . 0.0 113.223 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -93.81 -21.19 19.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.49 151.57 42.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.253 1.021 . . . . 0.0 111.688 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 t -66.7 160.18 26.19 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.228 1.011 . . . . 0.0 112.673 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 32' ' ' ILE . 73.1 tttt -57.44 -36.8 71.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.672 -1.267 . . . . 0.0 112.4 171.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -63.86 -42.48 97.52 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.472 -0.767 . . . . 0.0 112.678 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.67 -40.63 88.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.231 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.62 -48.57 79.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.946 1.298 . . . . 0.0 111.757 174.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.9 mtm -62.62 -40.52 97.24 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -46.05 63.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.97 -38.47 91.19 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.312 0.96 . . . . 0.0 111.175 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.53 -48.32 78.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.375 1.07 . . . . 0.0 111.806 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.96 -45.12 95.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.405 -0.809 . . . . 0.0 111.262 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.71 -47.91 83.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.471 0.708 . . . . 0.0 112.806 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.44 -26.26 64.51 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.954 0.797 . . . . 0.0 112.652 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -74.32 -32.16 62.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.766 1.226 . . . . 0.0 112.878 172.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.37 -38.55 65.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.409 1.084 . . . . 0.0 113.017 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -80.69 -27.06 37.14 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -72.94 -32.2 65.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.228 0.922 . . . . 0.0 113.228 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 pp -76.67 -11.4 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -101.45 3.64 40.54 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 113.626 175.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -69.0 153.3 44.03 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 112.926 178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.458 0 C-N-CA 125.378 1.466 . . . . 0.0 113.013 179.781 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 CA-C-O 119.664 -0.52 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.73 152.28 50.27 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.309 3.339 . . . . 0.0 114.037 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.65 12.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.14 0.876 . . . . 0.0 113.124 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m 59.33 31.66 21.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.77 1.628 . . . . 0.0 114.653 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.61 -18.99 62.88 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.837 1.255 . . . . 0.0 114.215 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.71 159.89 0.12 Allowed Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 128.213 2.605 . . . . 0.0 115.117 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -62.54 162.82 23.02 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.195 2.597 . . . . 0.0 114.504 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -76.96 -22.99 52.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.038 0.935 . . . . 0.0 112.488 167.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.46 17.01 12.18 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.056 1.742 . . . . 0.0 113.829 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 67.2 p -64.1 152.81 39.45 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.551 -1.343 . . . . 0.0 112.947 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -61.85 -35.16 77.46 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.744 1.217 . . . . 0.0 113.31 -170.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.46 -49.46 66.57 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.939 0.896 . . . . 0.0 110.991 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -67.71 -29.87 69.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.97 0.908 . . . . 0.0 112.829 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.52 -52.93 48.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.579 1.152 . . . . 0.0 111.911 171.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.52 -30.02 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.84 -24.24 61.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.545 1.138 . . . . 0.0 113.476 171.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -14.97 67.77 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.566 1.079 . . . . 0.0 115.371 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.4 175.52 5.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.734 2.014 . . . . 0.0 112.936 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.31 178.51 6.2 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.632 1.173 . . . . 0.0 113.514 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -58.18 -29.49 65.67 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.22 -35.06 79.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.31 1.044 . . . . 0.0 112.385 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.04 -33.22 51.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.7 1.2 . . . . 0.0 112.287 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.01 -46.75 73.56 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.291 0.636 . . . . 0.0 111.105 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.34 67.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.186 0.994 . . . . 0.0 113.051 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.93 -16.83 64.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.39 -26.07 5.08 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.26 -35.29 63.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.672 1.189 . . . . 0.0 112.228 170.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.72 -126.02 40.99 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.344 0.973 . . . . 0.0 113.211 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.66 -22.6 65.44 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.08 1.352 . . . . 0.0 113.723 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -89.86 3.32 53.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.018 1.327 . . . . 0.0 113.73 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.33 141.34 58.8 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.177 -0.952 . . . . 0.0 111.592 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 tp -64.54 140.92 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 123.778 0.831 . . . . 0.0 112.602 -172.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.04 -4.02 59.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.53 -5.99 52.03 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.886 1.274 . . . . 0.0 113.048 167.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.89 -27.4 3.02 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.518 1.533 . . . . 0.0 114.45 -173.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 179.15 135.56 2.41 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.741 1.639 . . . . 0.0 111.004 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -88.8 88.47 1.53 Allowed Glycine 0 CA--C 1.53 1.012 0 CA-C-N 117.849 0.824 . . . . 0.0 113.015 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 89.1 p -72.53 161.5 30.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.864 1.666 . . . . 0.0 113.693 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 171.11 -162.44 35.26 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.42 1.486 . . . . 0.0 113.259 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 75.4 33.88 51.95 Favored Glycine 0 CA--C 1.539 1.547 0 N-CA-C 115.014 0.766 . . . . 0.0 115.014 170.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.79 -172.22 9.56 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.06 1.315 . . . . 0.0 114.633 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.8 t -63.78 134.96 56.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.769 0.828 . . . . 0.0 112.227 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 173.68 -168.51 41.42 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.809 1.195 . . . . 0.0 113.641 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.91 164.21 49.77 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.15 0.881 . . . . 0.0 113.939 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.74 177.87 46.04 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.629 -0.924 . . . . 0.0 113.296 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 24.1 t -67.76 146.63 53.55 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.906 0.882 . . . . 0.0 112.699 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 6.0 tpt -151.99 -57.95 0.15 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -71.36 150.68 44.83 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.965 0.906 . . . . 0.0 111.461 170.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -59.08 144.65 82.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.492 1.117 . . . . 0.0 112.93 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.65 158.72 55.91 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.255 2.637 . . . . 0.0 113.535 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 66.0 p -80.73 7.42 10.32 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.006 1.722 . . . . 0.0 113.789 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 85.2 p -139.98 170.43 15.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.132 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 81.1 p -76.06 -3.21 34.64 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -68.25 156.25 38.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.274 1.035 . . . . 0.0 113.646 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -160.72 -33.67 0.02 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.857 1.694 . . . . 0.0 112.792 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -51.3 -39.95 57.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.669 1.588 . . . . 0.0 112.08 164.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -64.08 -50.44 68.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.598 1.959 . . . . 0.0 112.148 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -64.15 -45.42 88.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.234 1.014 . . . . 0.0 111.557 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.16 -49.8 74.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.679 0.792 . . . . 0.0 111.953 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.8 -52.69 63.18 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.13 0.972 . . . . 0.0 111.571 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.59 -39.21 93.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.014 0.824 . . . . 0.0 112.497 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 19.2 t -67.01 -35.89 80.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.529 0.604 . . . . 0.0 112.612 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.06 -50.09 62.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.238 0.926 . . . . 0.0 111.39 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.1 -34.02 67.91 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 51.9 p -67.3 -29.93 69.65 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.349 0.977 . . . . 0.0 113.606 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -78.6 -32.56 47.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.674 1.59 . . . . 0.0 112.617 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.05 147.11 53.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.025 1.33 . . . . 0.0 112.647 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.7 t -64.35 159.55 20.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.868 1.267 . . . . 0.0 112.025 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -43.26 -49.94 6.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.733 1.613 . . . . 0.0 111.578 165.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.03 -36.59 83.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.766 1.226 . . . . 0.0 112.126 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.53 -37.56 74.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.589 1.155 . . . . 0.0 112.555 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.28 -40.69 97.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.678 1.191 . . . . 0.0 112.046 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.99 -42.13 97.3 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.862 0.755 . . . . 0.0 112.172 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.9 68.84 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.3 -38.71 91.05 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.401 1.001 . . . . 0.0 111.764 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.18 91.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.251 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.48 -48.18 82.89 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.968 0.907 . . . . 0.0 110.933 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.61 -45.23 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.13 -23.82 64.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.674 1.125 . . . . 0.0 112.987 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.4 -39.39 47.34 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.28 -34.92 78.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.008 0.923 . . . . 0.0 112.793 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -82.51 -24.2 34.24 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.5 -32.16 37.05 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.099 1.318 . . . . 0.0 113.131 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.5 -21.29 62.77 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.82 -6.63 54.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.614 1.166 . . . . 0.0 114.042 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.38 143.4 50.2 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.335 -0.853 . . . . 0.0 112.195 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.918 1.723 . . . . 0.0 112.915 177.049 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 CA-C-O 119.568 -0.574 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.48 -24.43 30.98 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.487 2.791 . . . . 0.0 113.528 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.99 37.86 1.74 Allowed Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.929 1.728 . . . . 0.0 114.471 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 144.85 54.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 113.071 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -73.68 -15.43 61.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.304 1.441 . . . . 0.0 113.747 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.67 161.35 0.12 Allowed Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 127.828 2.451 . . . . 0.0 114.578 -170.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -61.83 157.69 41.74 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.484 2.789 . . . . 0.0 114.303 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.59 -23.81 1.81 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.106 1.362 . . . . 0.0 113.626 173.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -88.1 44.72 1.22 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.553 1.541 . . . . 0.0 111.623 172.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.2 p -67.03 162.28 22.5 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.309 1.443 . . . . 0.0 112.537 -176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.53 -22.91 67.15 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.65 -36.85 79.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.587 1.085 . . . . 0.0 111.893 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 t -74.68 -40.27 61.5 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.995 0.918 . . . . 0.0 112.296 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.03 -44.7 95.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.057 0.943 . . . . 0.0 112.792 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 18' ' ' LEU . 23.9 mm -66.82 -27.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 0.0 113.022 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.99 -27.64 57.52 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.764 -1.21 . . . . 0.0 113.494 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.33 -34.88 24.89 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.472 1.034 . . . . 0.0 115.042 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 15' ' ' ILE . 2.9 pp -74.65 179.36 4.79 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.742 1.617 . . . . 0.0 113.422 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 173.88 9.67 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.676 1.19 . . . . 0.0 113.106 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.71 -29.16 64.48 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -172.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -66.64 -31.3 71.89 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.804 0.842 . . . . 0.0 112.645 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -78.35 -34.25 48.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.58 1.152 . . . . 0.0 112.029 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.95 -49.19 77.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.226 0.61 . . . . 0.0 110.394 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.39 70.17 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.02 -17.47 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.08 -25.96 5.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.4 -35.51 65.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.281 1.032 . . . . 0.0 111.398 166.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.33 -129.16 47.1 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.572 1.082 . . . . 0.0 112.913 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -59.97 -25.02 64.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.059 1.344 . . . . 0.0 113.505 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -86.22 1.04 52.26 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.145 1.378 . . . . 0.0 114.296 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.55 141.98 55.93 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.224 -0.923 . . . . 0.0 111.619 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.464 HG22 HD21 ' A' ' 70' ' ' ASN . 2.6 tp -61.88 138.99 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.802 0.841 . . . . 0.0 112.056 -171.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -85.6 -5.75 59.24 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -74.73 -15.84 60.76 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.41 1.884 . . . . 0.0 112.422 169.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.58 178.63 50.29 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.575 1.559 . . . . 0.0 113.532 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.46 133.01 35.58 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 122.013 -0.698 . . . . 0.0 112.869 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.13 -169.39 42.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.013 1.292 . . . . 0.0 113.315 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 p 61.09 176.59 0.11 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.468 2.307 . . . . 0.0 114.958 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.66 177.42 51.76 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.561 1.077 . . . . 0.0 114.474 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.03 -139.27 5.76 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.463 1.03 . . . . 0.0 113.375 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.66 48.97 9.49 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.028 0.823 . . . . 0.0 113.738 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 m -77.81 -7.05 56.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.382 1.473 . . . . 0.0 113.728 172.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.29 177.06 32.69 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.037 1.779 . . . . 0.0 112.96 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.63 84.77 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.514 1.054 . . . . 0.0 115.318 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.91 -24.69 71.65 Favored Glycine 0 CA--C 1.537 1.468 0 O-C-N 121.219 -1.165 . . . . 0.0 114.499 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.1 t -59.45 -36.29 75.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.854 1.262 . . . . 0.0 113.42 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.47 -4.31 47.84 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.869 1.268 . . . . 0.0 113.588 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -133.21 13.59 4.22 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.928 1.691 . . . . 0.0 113.999 -168.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.28 147.14 95.42 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.602 1.161 . . . . 0.0 112.256 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.43 154.49 73.65 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.34 2.693 . . . . 0.0 112.037 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -153.92 157.37 39.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.482 1.113 . . . . 0.0 112.151 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -71.09 145.11 50.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.484 1.514 . . . . 0.0 112.081 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -71.6 163.67 27.31 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.953 2.901 . . . . 0.0 114.102 -1.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 64.72 -78.03 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.08 2.152 . . . . 0.0 114.497 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.46 -40.17 1.29 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.897 1.713 . . . . 0.0 114.273 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -57.23 -35.23 69.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.75 1.22 . . . . 0.0 113.028 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -68.23 -41.11 81.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.448 1.099 . . . . 0.0 112.996 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.41 -43.34 73.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.451 0.7 . . . . 0.0 111.796 172.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.41 -39.85 95.62 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.498 1.119 . . . . 0.0 112.493 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -72.4 -54.6 8.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.587 1.155 . . . . 0.0 112.288 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.3 tp -64.33 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 t -58.14 -45.76 86.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.758 0.823 . . . . 0.0 112.445 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -63.86 -42.98 97.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.382 -0.823 . . . . 0.0 111.685 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.84 -25.96 67.45 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -74.26 -35.51 63.79 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.206 -0.934 . . . . 0.0 113.147 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -73.29 -38.57 65.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.158 1.383 . . . . 0.0 114.571 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.84 157.41 37.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.01 1.324 . . . . 0.0 113.804 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -65.8 158.13 28.54 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.679 1.592 . . . . 0.0 112.818 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -59.17 -36.56 75.52 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.983 -1.073 . . . . 0.0 113.026 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.464 HD21 HG22 ' A' ' 32' ' ' ILE . 9.6 m120 -65.43 -40.23 93.08 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.456 -0.778 . . . . 0.0 112.224 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.78 -37.33 81.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.909 0.883 . . . . 0.0 112.597 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.01 -44.72 97.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.453 1.101 . . . . 0.0 112.109 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 54.3 mtm -59.57 -43.51 93.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.323 0.511 . . . . 0.0 112.088 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.86 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.34 -38.21 90.25 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.459 1.027 . . . . 0.0 111.332 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.25 86.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.627 1.171 . . . . 0.0 112.093 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.3 -43.72 93.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.217 -0.927 . . . . 0.0 111.368 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -59.25 -51.08 71.52 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.945 0.898 . . . . 0.0 112.723 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.84 -26.75 66.2 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.012 0.824 . . . . 0.0 112.988 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.62 -35.09 58.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.678 1.191 . . . . 0.0 112.841 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -73.19 -35.16 66.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.056 0.942 . . . . 0.0 113.058 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -79.08 -36.4 40.87 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.68 -26.28 67.71 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.309 0.959 . . . . 0.0 113.4 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 pp -82.7 -5.19 58.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.173 1.389 . . . . 0.0 114.229 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -128.25 -22.46 3.41 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 149.4 49.02 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.727 1.149 . . . . 0.0 113.026 175.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 C-N-CA 125.239 1.399 . . . . 0.0 112.834 179.075 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 CA-C-O 119.433 -0.648 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.24 155.61 68.72 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.77 2.98 . . . . 0.0 112.613 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.72 3.77 72.98 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 125.012 1.292 . . . . 0.0 115.411 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 39.3 t -151.15 155.47 38.96 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.47 1.508 . . . . 0.0 112.645 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -71.94 -18.33 62.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.066 1.346 . . . . 0.0 113.397 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.01 144.69 93.8 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 125.05 1.34 . . . . 0.0 112.769 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -67.61 146.63 74.21 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.063 2.508 . . . . 0.0 112.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.91 -14.04 0.54 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -146.33 28.71 1.08 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.357 1.463 . . . . 0.0 112.589 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 67.0 p -76.03 169.68 17.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.15 1.38 . . . . 0.0 113.432 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -59.89 -31.25 69.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.52 1.528 . . . . 0.0 112.955 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -47.86 84.49 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.102 0.961 . . . . 0.0 110.67 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.2 m -62.44 -30.77 71.47 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -75.01 -53.83 8.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.832 0.853 . . . . 0.0 111.874 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.4 mm -65.76 -30.88 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.727 1.611 . . . . 0.0 113.043 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.83 -22.86 55.86 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.45 -36.8 13.33 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.915 1.245 . . . . 0.0 114.362 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.62 -178.14 6.6 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.891 1.276 . . . . 0.0 113.208 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.93 177.86 7.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.873 1.669 . . . . 0.0 112.679 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -56.01 -28.39 57.09 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.865 1.666 . . . . 0.0 114.434 -175.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -62.07 -38.49 88.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.121 0.968 . . . . 0.0 112.414 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -82.13 -34.49 29.17 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.1 0.96 . . . . 0.0 112.719 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.98 -47.93 84.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.21 0.459 . . . . 0.0 111.249 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.13 77.18 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.348 -0.845 . . . . 0.0 112.992 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.9 88.19 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.96 -29.33 16.69 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.99 -37.52 58.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.209 1.004 . . . . 0.0 112.403 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.44 -128.22 45.15 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.065 0.84 . . . . 0.0 112.848 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -62.13 -19.35 62.92 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.67 -3.93 58.17 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -58.09 143.74 42.58 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.84 0.856 . . . . 0.0 111.899 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.7 tp -62.48 148.86 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.461 1.105 . . . . 0.0 113.672 -167.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.53 40.45 1.26 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.516 1.527 . . . . 0.0 111.998 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -137.8 157.2 46.93 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.916 1.686 . . . . 0.0 112.155 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -71.66 166.49 53.05 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.773 1.178 . . . . 0.0 114.275 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 160.35 -18.16 0.22 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 115.546 0.978 . . . . 0.0 115.546 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 75.14 -168.69 54.79 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 118.242 1.021 . . . . 0.0 114.351 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -75.05 166.32 23.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.955 1.302 . . . . 0.0 113.857 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.77 -160.22 44.83 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.088 1.328 . . . . 0.0 114.851 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -169.56 175.53 43.74 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.912 1.244 . . . . 0.0 113.701 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -84.63 170.21 45.89 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.146 1.355 . . . . 0.0 114.915 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 27.7 t -157.56 149.06 21.84 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 112.021 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -102.69 3.44 49.48 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.929 1.728 . . . . 0.0 114.125 171.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.0 -157.58 45.29 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 118.715 1.258 . . . . 0.0 114.392 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.81 169.62 15.65 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.82 1.2 . . . . 0.0 114.656 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 33.5 t -62.39 136.79 58.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.855 1.262 . . . . 0.0 112.596 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 60.4 ttm -71.72 140.12 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.122 0.969 . . . . 0.0 112.334 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -115.27 143.6 45.0 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.597 1.159 . . . . 0.0 111.84 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -146.49 154.94 49.43 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 126.572 1.949 . . . . 0.0 111.447 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -66.94 166.36 23.02 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.025 2.483 . . . . 0.0 111.31 160.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 50.0 p -65.26 -11.48 41.63 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 17.1 m -71.44 -10.81 60.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.93 1.692 . . . . 0.0 115.102 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 43.1 t -149.37 137.94 20.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 111.952 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -74.18 131.23 41.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.605 0.762 . . . . 0.0 112.074 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.56 -23.67 23.16 Favored Glycine 0 N--CA 1.474 1.219 0 C-N-CA 124.152 0.882 . . . . 0.0 115.014 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -61.76 -43.98 97.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.071 1.435 . . . . 0.0 113.455 -166.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -73.34 -38.78 65.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 112.133 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.38 -47.67 47.57 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.106 0.962 . . . . 0.0 111.332 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.77 -36.85 82.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.824 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -73.32 -57.58 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.022 0.929 . . . . 0.0 111.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.49 -32.33 73.87 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.384 -0.823 . . . . 0.0 112.97 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.7 t -65.05 -24.41 67.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.779 1.232 . . . . 0.0 113.611 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -83.88 -47.86 10.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.308 1.043 . . . . 0.0 111.241 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.53 -20.3 66.14 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 96.4 p -75.69 -28.58 58.7 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.891 -1.13 . . . . 0.0 113.844 168.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.53 -41.14 11.56 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.526 1.53 . . . . 0.0 114.422 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.79 152.69 35.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.157 1.383 . . . . 0.0 112.588 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -75.54 153.54 37.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.109 0.964 . . . . 0.0 110.72 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -55.68 -31.49 62.44 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.676 -1.265 . . . . 0.0 113.601 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -63.89 -41.75 97.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.71 1.204 . . . . 0.0 112.176 172.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.63 -41.35 84.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.653 1.181 . . . . 0.0 112.021 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.49 -42.13 91.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.518 0.727 . . . . 0.0 111.926 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 28.0 mtm -61.7 -46.43 89.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.573 0.749 . . . . 0.0 112.002 170.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.54 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.99 -39.0 93.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.9 0.773 . . . . 0.0 111.27 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.57 83.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.176 0.991 . . . . 0.0 112.194 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.71 -45.55 92.22 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.176 -0.952 . . . . 0.0 111.319 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.02 -48.44 80.3 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.47 -27.26 66.0 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.129 0.877 . . . . 0.0 113.011 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.36 -39.87 71.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.975 1.31 . . . . 0.0 112.039 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.12 -38.94 82.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.693 0.797 . . . . 0.0 112.474 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -81.38 -23.82 37.41 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -78.69 -30.51 46.16 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.939 1.245 . . . . 0.0 113.166 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.84 -16.37 55.57 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -92.41 -4.58 53.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -117.28 158.19 24.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.225 1.41 . . . . 0.0 112.754 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.13 -1.372 . . . . 0.0 112.998 -179.165 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 CA-C-O 120.069 -0.295 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.76 148.56 65.32 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.84 3.026 . . . . 0.0 112.555 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.23 -175.27 49.91 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.827 1.203 . . . . 0.0 114.374 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.7 t -149.58 144.88 26.49 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.072 1.349 . . . . 0.0 111.911 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -75.7 -16.0 60.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.776 1.23 . . . . 0.0 114.156 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.86 151.75 0.1 Allowed Pre-proline 0 CA--C 1.557 1.248 0 C-N-CA 127.893 2.477 . . . . 0.0 114.285 -169.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 137.67 47.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.456 2.77 . . . . 0.0 113.522 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.3 -13.12 28.57 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.246 1.418 . . . . 0.0 113.082 168.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -85.81 5.18 33.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.098 1.759 . . . . 0.0 114.317 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.2 p -63.27 155.31 28.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.35 1.46 . . . . 0.0 114.079 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.74 -26.87 68.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.187 0.995 . . . . 0.0 112.566 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.62 -34.14 72.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.236 1.414 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -60.34 -36.18 77.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.23 1.012 . . . . 0.0 112.639 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -77.99 -48.2 16.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.503 0.721 . . . . 0.0 111.64 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -32.58 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.555 1.142 . . . . 0.0 112.783 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -75.6 -19.33 59.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.343 1.057 . . . . 0.0 113.812 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.67 -34.03 9.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.571 1.082 . . . . 0.0 114.722 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.98 -176.25 6.04 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.39 1.476 . . . . 0.0 113.941 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.85 176.15 8.94 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.675 1.59 . . . . 0.0 113.039 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -59.72 -26.4 65.59 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.76 -34.33 77.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.388 0.995 . . . . 0.0 112.841 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -81.18 -28.49 34.96 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.373 1.069 . . . . 0.0 112.947 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.52 -47.33 64.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.006 0.923 . . . . 0.0 110.88 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.5 67.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.752 0.821 . . . . 0.0 112.99 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -17.47 64.64 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.95 -26.46 5.17 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.66 -36.89 70.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.314 1.046 . . . . 0.0 112.296 170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.41 -126.03 41.09 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.407 1.003 . . . . 0.0 113.274 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -61.35 -31.91 71.79 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.64 10.37 11.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.591 1.157 . . . . 0.0 112.882 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.58 144.38 43.04 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.613 -0.68 . . . . 0.0 111.855 168.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp -59.13 143.85 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.409 1.084 . . . . 0.0 112.448 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -102.44 33.32 3.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.345 1.058 . . . . 0.0 112.735 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.68 12.67 3.81 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 128.094 2.558 . . . . 0.0 115.836 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 135.98 36.38 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 120.953 -1.092 . . . . 0.0 112.756 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.23 -3.74 37.25 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 125.073 1.32 . . . . 0.0 115.422 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.75 -156.26 49.4 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.063 1.431 . . . . 0.0 114.437 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -155.68 156.32 34.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.225 1.81 . . . . 0.0 110.891 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.19 -151.68 11.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.165 0.888 . . . . 0.0 114.216 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 -179.71 35.15 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.253 1.406 . . . . 0.0 113.441 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 -21.04 6.2 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.274 1.416 . . . . 0.0 115.05 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -78.89 -7.24 57.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.149 1.779 . . . . 0.0 113.928 171.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.95 -156.2 17.37 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.594 1.569 . . . . 0.0 112.265 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.4 -135.15 13.74 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.144 0.878 . . . . 0.0 113.552 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.43 -164.28 41.63 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.373 0.987 . . . . 0.0 113.144 -168.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -152.27 163.49 39.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.685 1.594 . . . . 0.0 111.843 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 76.3 mtm -142.88 155.86 44.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.073 1.349 . . . . 0.0 113.238 -171.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 51.68 51.46 16.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.724 2.01 . . . . 0.0 114.32 168.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -73.25 138.34 78.55 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 123.907 0.883 . . . . 0.0 110.204 172.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.51 137.34 35.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.912 2.408 . . . . 0.0 112.331 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -68.83 -19.61 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.581 1.153 . . . . 0.0 114.095 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -79.11 -8.31 58.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.713 1.605 . . . . 0.0 114.112 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -67.4 148.44 51.59 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.394 0.997 . . . . 0.0 112.875 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -77.87 148.21 34.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.15 0.98 . . . . 0.0 112.698 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.12 -27.92 73.54 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.049 -1.032 . . . . 0.0 114.622 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -65.85 -40.51 91.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 1.247 . . . . 0.0 111.947 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.66 -42.61 50.8 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 112.758 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.47 -52.99 61.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.387 0.675 . . . . 0.0 112.448 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.65 -38.91 67.52 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.362 -0.836 . . . . 0.0 112.522 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.62 -44.2 82.66 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.887 -0.508 . . . . 0.0 111.877 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.6 tp -65.4 -36.3 83.54 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.404 -0.81 . . . . 0.0 111.849 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.2 t -63.97 -36.29 83.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.791 0.836 . . . . 0.0 112.8 171.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -61.5 -55.48 30.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.931 -1.105 . . . . 0.0 111.284 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.64 -21.6 65.36 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -77.39 -35.85 53.97 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.642 1.564 . . . . 0.0 113.343 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -85.88 -27.82 24.78 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.06 157.21 38.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.707 1.203 . . . . 0.0 112.495 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.76 154.5 31.9 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.662 1.185 . . . . 0.0 112.076 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -51.36 -37.49 48.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.841 -1.162 . . . . 0.0 113.148 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -66.34 -38.33 87.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.258 1.023 . . . . 0.0 112.912 175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.42 -40.21 85.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.496 1.118 . . . . 0.0 111.589 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.03 -39.32 85.51 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.951 0.796 . . . . 0.0 112.291 172.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.4 mtm -64.35 -43.75 93.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.674 0.67 . . . . 0.0 112.079 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.25 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -62.94 -37.87 88.79 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.994 0.816 . . . . 0.0 111.467 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.17 78.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.825 0.85 . . . . 0.0 111.966 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -44.73 83.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.722 0.809 . . . . 0.0 110.973 175.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -58.43 -52.01 67.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.024 0.93 . . . . 0.0 112.751 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.19 -25.7 65.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -73.02 -38.18 66.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.792 1.237 . . . . 0.0 112.315 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.68 -37.25 70.75 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.151 0.98 . . . . 0.0 112.436 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -76.41 -33.4 58.83 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -72.72 -25.3 61.17 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.931 -1.106 . . . . 0.0 113.278 -174.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -85.75 -13.29 48.76 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -104.31 -20.12 13.87 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.13 157.14 38.31 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.523 0.729 . . . . 0.0 112.644 175.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.319 0 C-N-CA 125.575 1.559 . . . . 0.0 113.185 -177.844 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 CA-C-O 119.678 -0.512 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -63.12 -24.68 73.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.213 3.276 . . . . 0.0 115.631 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.52 40.19 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.202 1.382 . . . . 0.0 112.586 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -140.38 148.16 40.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.211 -176.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -79.25 -11.46 59.95 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 65.85 145.95 0.1 OUTLIER Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 128.377 2.671 . . . . 0.0 114.743 -170.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.47 157.4 52.98 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.53 2.82 . . . . 0.0 113.734 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.1 -18.93 0.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.536 1.534 . . . . 0.0 113.682 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.2 4.06 30.81 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.626 1.97 . . . . 0.0 113.472 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 68.2 p -72.43 162.68 29.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.076 1.35 . . . . 0.0 112.181 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.61 -28.09 69.39 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.71 -0.618 . . . . 0.0 112.466 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.05 -40.81 95.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.133 0.973 . . . . 0.0 111.541 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -70.68 -34.82 72.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.161 0.984 . . . . 0.0 112.864 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -72.24 -46.74 54.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.587 0.755 . . . . 0.0 112.544 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mm -65.96 -25.53 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 125.354 1.461 . . . . 0.0 112.584 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.13 -20.57 44.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 169.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.7 25.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.448 1.023 . . . . 0.0 113.939 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.32 178.51 8.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.822 1.649 . . . . 0.0 113.048 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.27 178.75 6.57 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.173 1.389 . . . . 0.0 112.98 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -58.76 -31.81 68.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.75 1.22 . . . . 0.0 114.167 -171.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.84 -33.35 75.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.984 0.914 . . . . 0.0 112.459 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.33 -38.1 51.12 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.272 1.029 . . . . 0.0 111.686 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.91 -50.12 75.23 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.426 0.69 . . . . 0.0 110.798 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -34.07 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.893 0.769 . . . . 0.0 112.968 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.45 79.13 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.42 -31.33 33.21 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.4 -41.53 76.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.197 0.908 . . . . 0.0 111.537 167.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.44 81.2 0.57 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 124.699 1.142 . . . . 0.0 112.437 169.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 61.43 -17.38 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.796 2.439 . . . . 0.0 115.791 -166.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.91 6.31 5.31 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.594 1.558 . . . . 0.0 114.801 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.57 146.02 21.63 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.52 1.128 . . . . 0.0 112.106 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.469 HG22 HD21 ' B' ' 170' ' ' ASN . 3.1 tp -64.13 139.89 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -114.61 13.7 17.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.518 1.527 . . . . 0.0 113.13 172.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -68.56 141.92 55.36 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.258 -0.901 . . . . 0.0 111.87 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 62.01 19.47 59.07 Favored Glycine 0 CA--C 1.541 1.659 0 O-C-N 121.658 -0.652 . . . . 0.0 114.681 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.98 10.19 66.83 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.322 1.439 . . . . 0.0 114.861 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 91.78 -149.38 19.72 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.198 1.38 . . . . 0.0 113.926 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t 61.28 34.14 18.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.111 1.365 . . . . 0.0 113.743 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.23 154.26 11.2 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.466 1.507 . . . . 0.0 114.465 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.84 179.35 50.01 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.57 1.081 . . . . 0.0 115.297 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.13 134.25 48.79 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.463 1.03 . . . . 0.0 114.765 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 11.0 t -168.33 140.79 2.94 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.794 1.638 . . . . 0.0 112.339 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.94 146.01 4.65 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 169.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.44 79.36 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.147 1.356 . . . . 0.0 116.388 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.55 149.24 50.55 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 118.516 1.158 . . . . 0.0 113.114 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 9.0 m 57.37 22.29 7.7 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 30.1 ttm -76.09 26.26 0.12 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.167 -1.583 . . . . 0.0 113.597 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -164.86 151.4 10.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.106 2.162 . . . . 0.0 110.589 -170.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.07 143.1 98.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.951 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -54.79 149.56 40.66 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.84 3.027 . . . . 0.0 113.518 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 65.6 p -101.54 -26.51 13.52 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.415 1.086 . . . . 0.0 112.32 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 8.0 t 54.42 38.88 30.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.767 2.027 . . . . 0.0 114.643 165.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 65.6 p -63.83 -37.78 88.65 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.128 -0.982 . . . . 0.0 111.538 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.75 131.64 44.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.05 2.14 . . . . 0.0 108.556 156.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.1 62.29 Favored Glycine 0 N--CA 1.474 1.187 0 O-C-N 121.783 -0.573 . . . . 0.0 113.405 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -64.06 -28.3 69.69 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.637 1.175 . . . . 0.0 112.899 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -73.76 -48.4 31.99 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.046 1.339 . . . . 0.0 111.017 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.6 -55.57 19.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -69.74 -20.43 63.51 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -167.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -79.93 -54.52 5.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.182 0.993 . . . . 0.0 111.538 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.39 -35.97 80.85 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.958 0.903 . . . . 0.0 112.511 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 35.1 t -62.61 -25.76 68.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.837 1.655 . . . . 0.0 113.527 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -84.6 -47.88 10.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.394 -0.816 . . . . 0.0 111.778 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.93 -22.93 66.02 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.3 p -70.28 -18.21 63.11 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -123.54 -17.06 6.59 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.22 144.81 56.85 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.646 0.657 . . . . 0.0 109.954 160.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.8 t -64.29 155.01 33.45 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.964 0.906 . . . . 0.0 112.625 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.02 -35.96 62.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.123 -0.985 . . . . 0.0 111.844 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' ASN . . . . . 0.469 HD21 HG22 ' B' ' 132' ' ' ILE . 11.2 m120 -63.78 -38.08 89.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.855 0.862 . . . . 0.0 113.095 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.71 -38.8 73.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.587 0.755 . . . . 0.0 112.211 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.5 -40.89 98.19 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.819 1.19 . . . . 0.0 112.032 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.8 mtm -57.87 -43.83 86.26 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.578 0.626 . . . . 0.0 111.983 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.1 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.61 -41.21 98.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.424 1.011 . . . . 0.0 111.947 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.44 -34.75 74.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.037 0.935 . . . . 0.0 112.603 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.08 -47.82 48.62 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.75 0.82 . . . . 0.0 110.565 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.11 -42.14 98.93 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.718 1.207 . . . . 0.0 112.387 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.88 -25.81 65.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.69 -38.23 47.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.356 1.062 . . . . 0.0 112.499 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -68.73 -32.56 72.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.535 0.734 . . . . 0.0 112.72 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -81.48 -34.81 31.12 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.06 -28.71 62.48 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.108 1.322 . . . . 0.0 112.724 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.25 -13.12 61.8 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -105.74 0.31 26.1 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.505 1.122 . . . . 0.0 113.948 174.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -71.01 151.56 44.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.193 -0.942 . . . . 0.0 112.117 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.264 -1.298 . . . . 0.0 113.338 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 CA-C-O 119.215 -0.77 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -68.92 163.3 38.05 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.931 3.087 . . . . 0.0 112.735 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.98 148.53 50.84 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.204 0.907 . . . . 0.0 113.145 175.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.8 t -157.25 156.6 32.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.999 1.32 . . . . 0.0 111.827 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -67.03 -18.74 65.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.258 1.023 . . . . 0.0 113.355 168.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.3 159.97 0.12 Allowed Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 128.658 2.783 . . . . 0.0 115.291 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -64.63 161.38 35.75 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.525 2.817 . . . . 0.0 114.116 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -96.69 -24.1 16.13 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.929 1.292 . . . . 0.0 111.769 163.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.69 36.2 0.54 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.215 2.206 . . . . 0.0 112.674 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -65.44 157.44 29.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.49 1.116 . . . . 0.0 113.592 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.2 -32.5 73.91 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.506 173.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.39 -43.82 93.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.336 1.054 . . . . 0.0 111.445 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.1 t -64.25 -35.76 81.87 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.714 0.806 . . . . 0.0 112.203 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.1 -50.75 60.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.247 -0.908 . . . . 0.0 112.215 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.74 -29.87 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.038 1.335 . . . . 0.0 113.299 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -27.99 67.91 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.223 -0.923 . . . . 0.0 113.405 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 -39.61 4.96 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.018 1.294 . . . . 0.0 115.963 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.52 162.07 28.63 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.619 1.21 . . . . 0.0 114.123 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.04 171.32 8.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.393 1.077 . . . . 0.0 113.415 -173.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.55 -29.01 69.74 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.099 -1.001 . . . . 0.0 113.543 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.08 -33.23 75.05 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.407 -0.808 . . . . 0.0 112.457 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.83 -30.16 61.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.938 0.895 . . . . 0.0 111.996 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.84 -48.69 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.555 0.742 . . . . 0.0 111.111 168.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.68 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.74 0.816 . . . . 0.0 112.733 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.16 64.43 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.23 -25.49 5.25 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -76.52 -36.04 57.95 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.267 0.939 . . . . 0.0 112.36 171.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.69 -126.8 42.57 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.083 1.325 . . . . 0.0 113.324 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.74 40.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.64 -5.5 57.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.98 145.84 49.12 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.005 0.922 . . . . 0.0 111.319 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.461 HG22 HD21 ' A' ' 70' ' ' ASN . 2.8 tp -61.71 139.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 121.525 -0.734 . . . . 0.0 112.5 -174.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -92.84 1.05 57.49 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.684 1.194 . . . . 0.0 113.736 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -72.44 145.52 47.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.407 1.083 . . . . 0.0 112.448 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.46 157.39 32.97 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.494 1.045 . . . . 0.0 113.883 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.25 -169.27 43.83 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.581 1.086 . . . . 0.0 114.845 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.16 165.99 29.32 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.058 1.313 . . . . 0.0 113.296 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -158.09 149.41 21.21 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.223 1.409 . . . . 0.0 112.236 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.85 138.98 2.88 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.968 1.271 . . . . 0.0 112.408 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.03 163.16 13.92 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 124.921 1.248 . . . . 0.0 113.858 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.9 -4.26 61.89 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.51 1.052 . . . . 0.0 115.582 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -147.51 160.94 42.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.146 1.778 . . . . 0.0 111.046 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -173.16 175.68 46.0 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.24 1.4 . . . . 0.0 113.081 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.97 -133.92 29.37 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.069 0.842 . . . . 0.0 112.878 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.15 148.08 17.6 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.542 1.067 . . . . 0.0 113.115 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -77.72 -10.86 59.76 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -172.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.79 6.49 6.01 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.733 1.613 . . . . 0.0 115.0 -174.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -65.32 144.59 57.02 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.899 1.28 . . . . 0.0 112.186 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -90.45 145.51 32.63 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 124.551 1.14 . . . . 0.0 112.343 -172.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -73.11 163.73 37.37 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.761 2.974 . . . . 0.0 112.944 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -152.76 145.48 24.31 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.389 1.476 . . . . 0.0 111.017 171.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.8 p -87.63 -19.54 27.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 113.661 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.3 m -79.65 -37.36 36.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -124.15 167.04 14.79 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.722 1.609 . . . . 0.0 113.296 -170.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.32 -43.29 0.11 Allowed Glycine 0 N--CA 1.474 1.212 0 O-C-N 121.458 -0.776 . . . . 0.0 114.423 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -62.69 -26.63 68.76 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.243 1.017 . . . . 0.0 113.362 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.16 -50.76 7.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.718 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -66.37 -44.88 81.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.992 0.917 . . . . 0.0 113.308 -172.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.08 -46.61 80.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.197 0.599 . . . . 0.0 111.176 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.14 -48.98 71.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.055 . . . . 0.0 112.744 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.31 -35.86 81.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.392 -0.817 . . . . 0.0 112.16 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -68.28 -40.61 81.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.714 0.805 . . . . 0.0 112.286 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.62 -46.78 88.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.154 0.982 . . . . 0.0 111.982 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -28.05 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.578 -0.701 . . . . 0.0 112.554 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -68.77 -37.15 79.14 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.816 0.846 . . . . 0.0 113.0 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -61.56 -51.48 68.38 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.516 -1.365 . . . . 0.0 113.091 170.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.0 150.8 48.01 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -164.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.2 t -66.4 160.12 25.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.064 1.745 . . . . 0.0 112.259 173.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -56.85 -35.19 68.57 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.057 -1.027 . . . . 0.0 112.551 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.461 HD21 HG22 ' A' ' 32' ' ' ILE . 7.4 m120 -66.62 -41.47 88.29 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.235 1.014 . . . . 0.0 111.989 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -69.51 -39.5 77.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.71 1.204 . . . . 0.0 111.836 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.33 -42.51 91.66 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.611 1.564 . . . . 0.0 112.476 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.8 mtm -61.37 -44.94 96.31 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 169.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.65 62.18 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -173.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.75 -36.24 82.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.066 -1.021 . . . . 0.0 112.18 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -41.27 76.98 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.075 0.95 . . . . 0.0 111.8 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -47.11 87.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.587 1.155 . . . . 0.0 110.733 172.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -59.48 -53.6 56.21 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.386 1.075 . . . . 0.0 113.822 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.18 -28.58 69.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.948 0.795 . . . . 0.0 113.128 -175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -76.53 -35.42 58.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.124 1.37 . . . . 0.0 112.353 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.85 -39.09 61.78 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.807 0.843 . . . . 0.0 112.442 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -75.25 -28.37 59.82 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.74 -25.38 59.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.56 1.073 . . . . 0.0 113.76 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.35 -12.47 43.29 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -96.2 -19.81 19.06 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -90.69 160.23 15.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.447 1.099 . . . . 0.0 112.403 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 C-N-CA 125.63 1.585 . . . . 0.0 114.212 -179.313 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.27 164.23 34.84 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.33 3.354 . . . . 0.0 112.948 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.51 -21.71 74.63 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.032 0.825 . . . . 0.0 114.98 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 92.5 p -153.59 153.04 31.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.043 1.737 . . . . 0.0 111.304 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.69 -41.45 60.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.045 0.938 . . . . 0.0 113.112 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.29 148.47 0.08 OUTLIER Pre-proline 0 CA--C 1.56 1.345 0 C-N-CA 128.596 2.758 . . . . 0.0 116.303 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -74.77 165.9 30.48 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.675 2.917 . . . . 0.0 112.54 172.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.6 pp -146.1 -26.88 0.43 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.6 -3.76 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.597 1.159 . . . . 0.0 113.578 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 16.2 p -68.21 115.93 8.24 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.677 . . . . 0.0 112.345 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -33.71 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.099 0.96 . . . . 0.0 112.987 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.548 1.067 . . . . 0.0 111.462 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 25.9 m -66.4 -31.9 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.76 0.824 . . . . 0.0 112.409 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.02 -47.07 69.45 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.497 0.719 . . . . 0.0 112.533 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.46 -31.34 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.23 1.412 . . . . 0.0 112.614 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -75.01 -23.41 58.23 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.76 -19.67 59.35 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.539 1.066 . . . . 0.0 115.389 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.18 178.21 4.67 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.418 1.887 . . . . 0.0 113.577 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 175.95 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.028 1.331 . . . . 0.0 113.559 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.38 -30.43 68.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.84 1.256 . . . . 0.0 114.002 -173.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.26 -33.07 74.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.878 0.871 . . . . 0.0 112.596 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -78.95 -29.97 44.28 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.541 1.137 . . . . 0.0 112.143 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.0 -46.44 74.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.43 0.692 . . . . 0.0 110.956 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.81 -29.71 68.42 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.36 63.77 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.25 -26.49 6.3 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.36 -32.53 64.56 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 111.755 168.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.83 -139.13 40.48 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.747 1.165 . . . . 0.0 112.421 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.13 58.99 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 175.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -84.97 2.31 43.55 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.229 . . . . 0.0 113.389 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.82 146.83 24.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.568 1.147 . . . . 0.0 112.04 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.1 tp -64.47 154.88 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -167.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -119.94 28.1 8.29 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.027 1.731 . . . . 0.0 113.282 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -143.24 169.67 17.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.499 1.52 . . . . 0.0 112.008 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -153.17 -178.43 27.75 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.72 1.152 . . . . 0.0 114.034 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.27 -177.21 52.8 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.292 0.949 . . . . 0.0 114.073 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.85 6.71 68.09 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.404 1.002 . . . . 0.0 115.53 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 80.0 p -73.13 154.21 40.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.48 1.512 . . . . 0.0 112.646 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 167.27 -172.66 42.32 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.722 1.153 . . . . 0.0 113.083 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.21 158.78 50.48 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.873 0.749 . . . . 0.0 113.452 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -68.58 156.21 53.28 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 122.041 -0.682 . . . . 0.0 113.632 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 49.2 m -72.11 179.82 3.13 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.007 1.323 . . . . 0.0 112.731 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 78.66 25.02 61.36 Favored Glycine 0 N--CA 1.473 1.15 0 O-C-N 121.301 -0.874 . . . . 0.0 114.904 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -64.47 158.69 42.77 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.588 1.089 . . . . 0.0 114.038 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 124.25 -4.86 8.88 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.393 1.473 . . . . 0.0 115.177 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 24.5 m 60.14 18.99 8.29 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.359 1.863 . . . . 0.0 115.864 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.68 157.06 38.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.908 1.283 . . . . 0.0 112.102 171.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.98 151.47 44.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.822 0.849 . . . . 0.0 112.952 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -70.56 155.93 92.68 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.422 1.489 . . . . 0.0 111.769 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -61.41 138.83 78.95 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.802 2.335 . . . . 0.0 111.725 171.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 54.3 p -80.53 157.64 26.04 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.75 1.22 . . . . 0.0 113.124 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 19.6 m -61.52 154.86 23.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.275 1.43 . . . . 0.0 112.34 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 34.2 m -66.6 163.14 19.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 129.73 3.212 . . . . 0.0 114.077 1.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 58.17 -154.2 0.36 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.514 1.526 . . . . 0.0 112.8 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 94.86 -5.0 68.91 Favored Glycine 0 N--CA 1.476 1.349 0 C-N-CA 125.307 1.432 . . . . 0.0 114.249 -171.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -59.8 -37.52 79.36 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.956 1.378 . . . . 0.0 111.681 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.64 -42.73 95.25 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.247 1.419 . . . . 0.0 112.319 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.65 -48.08 73.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.155 0.982 . . . . 0.0 111.745 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -72.83 -31.36 64.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -68.18 -48.9 64.04 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.73 0.812 . . . . 0.0 111.669 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.11 -35.68 75.77 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.568 -0.708 . . . . 0.0 112.163 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 14.2 t -57.13 -39.55 75.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.195 1.398 . . . . 0.0 112.618 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -64.46 -52.0 60.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.674 1.124 . . . . 0.0 111.38 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.56 -27.34 68.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.944 0.898 . . . . 0.0 113.283 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.7 p -67.31 -22.74 65.61 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -87.78 -34.16 18.39 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.239 1.416 . . . . 0.0 113.552 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.6 157.19 32.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.185 1.394 . . . . 0.0 113.618 -171.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 33.8 t -75.06 163.17 27.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.618 1.567 . . . . 0.0 112.211 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.88 -37.26 81.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.806 -1.184 . . . . 0.0 113.014 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -63.65 -41.24 98.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.188 0.995 . . . . 0.0 112.745 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.29 -39.68 82.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.018 0.927 . . . . 0.0 111.927 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.45 -41.87 97.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.011 1.324 . . . . 0.0 112.291 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 43.7 mtm -60.48 -50.04 75.14 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.698 0.681 . . . . 0.0 111.403 169.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.18 81.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -173.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -40.04 95.4 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 111.48 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.79 90.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.489 1.116 . . . . 0.0 112.138 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -46.13 89.3 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.077 0.951 . . . . 0.0 110.779 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.45 -51.98 67.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.463 0.705 . . . . 0.0 112.522 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.06 -27.43 66.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.36 -44.65 64.61 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.063 0.945 . . . . 0.0 112.203 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.86 -37.1 86.49 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.838 0.855 . . . . 0.0 112.449 -175.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -82.27 -28.62 31.7 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.12 -31.52 55.83 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.549 1.522 . . . . 0.0 113.212 -176.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.58 -15.31 61.75 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -100.52 6.09 44.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.021 1.328 . . . . 0.0 114.329 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.67 -3.97 31.45 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.209 0 C-N-CA 127.544 2.497 . . . . 0.0 112.204 -178.382 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 CA-C-O 119.265 -0.742 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.18 159.23 27.14 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.949 3.099 . . . . 0.0 114.071 175.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.44 -146.32 50.34 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.584 0.612 . . . . 0.0 113.174 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -70.0 -5.31 25.54 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -173.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -72.64 -24.11 61.01 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.373 1.069 . . . . 0.0 112.442 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.77 163.4 0.1 Allowed Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 128.518 2.727 . . . . 0.0 116.857 172.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -64.8 156.2 63.15 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.425 2.75 . . . . 0.0 113.143 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.59 -21.27 24.13 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -95.68 -1.82 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.654 1.354 . . . . 0.0 114.654 -166.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -68.59 151.74 46.33 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.025 1.33 . . . . 0.0 113.495 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -67.86 -29.35 68.45 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.562 1.545 . . . . 0.0 112.916 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -42.12 99.59 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 112.858 -168.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -67.46 -28.96 68.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.98 -48.3 37.79 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.146 -0.971 . . . . 0.0 111.395 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.82 -33.16 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.031 1.332 . . . . 0.0 113.101 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -76.37 -23.33 54.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.917 0.887 . . . . 0.0 113.203 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.01 -32.65 12.14 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.881 1.229 . . . . 0.0 115.02 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.55 178.42 3.52 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.71 1.604 . . . . 0.0 113.667 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.22 172.9 9.16 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.89 1.276 . . . . 0.0 112.785 175.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -27.24 66.02 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.9 -33.86 76.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.836 0.855 . . . . 0.0 112.394 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.37 -35.56 61.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 112.031 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.52 -44.95 81.09 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.27 1.028 . . . . 0.0 111.413 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.0 69.56 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.94 -17.26 61.5 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.85 -28.67 5.88 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.56 -39.4 37.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.277 0.944 . . . . 0.0 111.899 170.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.07 -115.83 4.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.154 1.359 . . . . 0.0 113.482 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -54.3 -27.21 33.89 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.4 1.88 . . . . 0.0 113.926 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -104.16 16.43 26.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.862 1.265 . . . . 0.0 113.883 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.72 133.17 49.63 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.55 -1.344 . . . . 0.0 111.176 171.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -67.88 150.82 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 125.062 1.345 . . . . 0.0 112.974 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -91.99 -3.2 56.17 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -75.14 160.63 30.22 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.49 1.516 . . . . 0.0 113.376 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.09 -178.53 48.33 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.011 1.291 . . . . 0.0 113.365 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.46 80.01 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.589 1.09 . . . . 0.0 115.749 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.66 2.64 53.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.343 1.449 . . . . 0.0 116.42 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -63.03 147.57 50.3 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.417 1.487 . . . . 0.0 114.129 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.09 -160.96 50.29 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.531 1.062 . . . . 0.0 114.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.6 20.7 77.42 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.921 1.248 . . . . 0.0 115.397 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 151.3 51.58 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.622 1.106 . . . . 0.0 114.484 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -79.37 -2.4 41.49 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.828 1.651 . . . . 0.0 114.946 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.69 -155.3 29.1 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.754 1.168 . . . . 0.0 113.767 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.18 -160.55 52.56 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.462 1.03 . . . . 0.0 113.136 -172.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.69 173.8 46.56 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.352 0.977 . . . . 0.0 114.01 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.9 m -77.34 49.51 0.71 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.333 1.853 . . . . 0.0 113.338 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 91.2 mtp -73.66 -14.77 61.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.353 1.461 . . . . 0.0 113.903 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -135.28 163.2 30.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.094 1.758 . . . . 0.0 111.443 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -147.67 160.1 39.35 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 125.784 1.634 . . . . 0.0 112.548 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.29 162.11 18.12 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.55 2.834 . . . . 0.0 113.45 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -76.09 171.87 13.75 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.062 0.945 . . . . 0.0 113.171 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -71.78 -8.84 56.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.794 1.238 . . . . 0.0 114.334 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 t -116.51 -46.64 2.76 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.227 1.411 . . . . 0.0 113.228 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -121.18 140.86 51.44 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.122 1.769 . . . . 0.0 111.969 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.69 -7.22 0.04 OUTLIER Glycine 0 CA--C 1.533 1.213 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -55.3 -42.83 74.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.92 1.86 . . . . 0.0 113.278 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -27.59 60.79 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -77.35 -52.19 9.58 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.402 1.081 . . . . 0.0 110.878 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.15 -24.71 66.71 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.736 1.214 . . . . 0.0 113.521 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -81.34 -59.38 2.66 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.275 -0.891 . . . . 0.0 111.948 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.76 -36.54 81.32 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.7 p -66.49 -21.04 66.18 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -84.79 -51.28 6.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.615 0.766 . . . . 0.0 110.547 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.08 -32.03 65.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.822 1.249 . . . . 0.0 113.349 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -67.98 -29.85 68.98 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -92.13 -16.74 25.9 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 150.07 48.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.039 0.836 . . . . 0.0 111.781 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -66.63 153.4 43.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.229 1.412 . . . . 0.0 111.24 174.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.51 -35.2 60.38 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 0.0 111.825 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -66.73 -48.86 67.84 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.49 0.716 . . . . 0.0 112.518 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.81 -42.09 99.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.367 1.067 . . . . 0.0 112.417 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.06 -35.07 79.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.911 1.684 . . . . 0.0 112.297 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.7 mtm -71.36 -40.3 70.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 167.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.15 86.22 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 -39.12 93.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.686 1.13 . . . . 0.0 111.959 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.84 86.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.946 1.298 . . . . 0.0 112.232 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.72 -47.65 77.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.195 0.998 . . . . 0.0 111.272 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -59.12 -50.02 75.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 0.0 112.454 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.69 -30.19 70.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.265 0.939 . . . . 0.0 112.986 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.67 -36.5 60.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.478 1.111 . . . . 0.0 112.88 172.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -67.9 -41.25 82.99 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.541 0.736 . . . . 0.0 111.838 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -80.01 -20.12 46.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -83.2 -31.6 26.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.042 1.292 . . . . 0.0 113.256 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.23 -18.97 54.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -3.23 58.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.258 1.023 . . . . 0.0 113.591 177.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -65.0 153.71 39.87 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.061 1.344 . . . . 0.0 112.678 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 C-N-CA 125.026 1.298 . . . . 0.0 113.285 179.411 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.18 -22.49 25.72 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.74 2.96 . . . . 0.0 113.876 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.85 162.71 29.27 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.321 1.439 . . . . 0.0 112.728 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 142.42 46.96 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -80.29 -13.75 58.94 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.498 1.519 . . . . 0.0 113.492 173.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.2 142.37 0.06 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 129.298 3.039 . . . . 0.0 114.881 -169.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.84 165.93 29.12 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.427 2.752 . . . . 0.0 112.947 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 pp -136.64 -9.37 1.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.826 1.65 . . . . 0.0 113.669 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -121.42 20.58 11.19 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.919 2.088 . . . . 0.0 112.795 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 41.3 p -55.27 136.28 49.07 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.199 1.4 . . . . 0.0 113.295 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -62.21 -24.39 67.2 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.993 1.317 . . . . 0.0 114.509 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.5 -37.64 70.67 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.271 -0.893 . . . . 0.0 112.561 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -62.63 -39.22 93.14 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.609 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -71.78 -43.48 65.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.549 0.74 . . . . 0.0 112.149 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.7 -31.56 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.963 0.905 . . . . 0.0 112.449 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.54 -33.07 68.83 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.039 -1.038 . . . . 0.0 113.24 169.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.61 -26.42 32.65 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.63 179.83 3.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.463 1.505 . . . . 0.0 113.877 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 169.25 12.76 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.464 1.506 . . . . 0.0 112.377 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -60.48 -24.34 65.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -64.29 -32.76 74.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.181 0.992 . . . . 0.0 112.715 171.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -73.32 -36.34 66.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.838 1.255 . . . . 0.0 112.008 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.88 -47.45 71.82 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.842 0.857 . . . . 0.0 110.588 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.33 70.08 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.49 -17.65 64.22 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.17 -25.72 5.66 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.51 -36.64 57.63 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.715 1.206 . . . . 0.0 111.959 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.84 -126.36 42.38 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.592 1.091 . . . . 0.0 113.695 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -56.45 -30.6 63.08 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.364 1.466 . . . . 0.0 113.596 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.52 5.81 40.84 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.134 1.374 . . . . 0.0 114.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.86 133.09 55.76 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.042 -1.036 . . . . 0.0 111.283 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp -65.77 144.83 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.922 . . . . 0.0 112.38 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -83.16 -9.49 59.15 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -83.73 2.77 36.26 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.707 1.603 . . . . 0.0 113.839 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.43 162.43 40.78 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.651 1.12 . . . . 0.0 115.027 -175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.8 -2.55 80.11 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.376 1.465 . . . . 0.0 115.336 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -71.74 161.75 54.28 Favored Glycine 0 CA--C 1.539 1.579 0 CA-C-N 118.561 1.181 . . . . 0.0 113.173 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 38.5 t -155.76 147.44 23.01 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.629 1.172 . . . . 0.0 112.428 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -83.83 -2.06 89.77 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.76 1.171 . . . . 0.0 114.933 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.02 -141.0 23.74 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 118.561 1.181 . . . . 0.0 112.81 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.63 152.48 47.89 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.749 1.166 . . . . 0.0 113.922 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.7 p -71.71 157.11 38.52 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.168 1.387 . . . . 0.0 113.758 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.94 -179.66 40.01 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 125.126 1.346 . . . . 0.0 113.797 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.98 152.21 19.19 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.639 1.59 . . . . 0.0 115.019 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.15 -13.96 66.29 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.314 1.911 . . . . 0.0 115.486 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 21.3 t 61.49 161.17 0.06 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.294 2.238 . . . . 0.0 115.6 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 95.8 mtp -77.99 -19.83 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.972 1.309 . . . . 0.0 112.607 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -72.05 153.26 41.85 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.572 1.149 . . . . 0.0 112.421 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.7 144.16 98.8 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 124.653 1.181 . . . . 0.0 111.596 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -55.03 162.27 5.54 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 124.44 3.427 . . . . 0.0 114.702 168.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.8 p -71.41 -25.72 62.46 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.398 1.079 . . . . 0.0 112.887 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 63.6 m -73.06 150.3 42.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.715 1.206 . . . . 0.0 112.791 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 31.4 t -70.01 -43.8 70.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.185 0.594 . . . . 0.0 111.545 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.84 130.84 36.02 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 111.792 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -101.09 -15.74 27.45 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 115.629 1.012 . . . . 0.0 115.629 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -59.18 -44.57 92.18 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.75 1.275 . . . . 0.0 112.924 -167.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -33.27 72.65 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.957 0.903 . . . . 0.0 113.187 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 -48.28 43.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.047 0.939 . . . . 0.0 110.796 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.22 -31.12 71.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.173 0.989 . . . . 0.0 112.417 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -76.37 -58.19 3.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.507 0.723 . . . . 0.0 111.999 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.97 -35.92 81.05 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -173.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 29.5 t -66.04 -42.84 89.04 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.413 -0.805 . . . . 0.0 111.588 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -63.49 -44.34 94.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.641 0.655 . . . . 0.0 111.829 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.77 -33.56 71.85 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.918 0.781 . . . . 0.0 112.347 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 40.6 t -66.42 -42.92 87.03 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.236 -0.915 . . . . 0.0 112.487 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -67.66 -39.58 84.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.859 1.263 . . . . 0.0 113.525 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.65 152.03 45.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.829 1.651 . . . . 0.0 112.969 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.2 t -67.61 155.74 38.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.337 1.455 . . . . 0.0 113.357 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -52.66 -36.33 56.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.97 1.308 . . . . 0.0 111.711 166.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -66.33 -43.43 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.91 -39.1 87.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.593 0.757 . . . . 0.0 112.165 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.13 -40.58 96.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.869 0.759 . . . . 0.0 112.439 175.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.36 -39.74 91.72 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.585 0.629 . . . . 0.0 112.089 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.88 61.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.28 -37.79 88.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.517 1.053 . . . . 0.0 111.235 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.34 88.29 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.79 0.836 . . . . 0.0 112.261 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.86 -45.87 91.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.055 0.942 . . . . 0.0 111.417 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.2 -45.92 89.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.861 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.77 -24.28 65.31 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.581 1.082 . . . . 0.0 113.431 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -76.22 -40.03 53.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.493 1.117 . . . . 0.0 112.635 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.89 -37.08 86.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.244 1.018 . . . . 0.0 111.842 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.47 -12.69 48.26 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.13 -33.45 15.44 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.578 1.535 . . . . 0.0 112.834 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.58 -17.91 64.81 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -174.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.64 -14.8 47.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.734 1.214 . . . . 0.0 113.949 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -78.97 147.38 32.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.073 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 C-N-CA 125.233 1.397 . . . . 0.0 114.046 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 CA-C-O 119.509 -0.606 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.18 155.07 68.95 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.949 3.099 . . . . 0.0 113.21 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.03 -155.85 41.95 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.459 1.028 . . . . 0.0 114.247 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.4 p -69.85 142.47 53.07 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.567 0.747 . . . . 0.0 110.992 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.76 -33.0 68.27 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -165.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.08 165.2 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 127.378 2.271 . . . . 0.0 115.112 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.24 139.61 87.93 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.419 2.746 . . . . 0.0 112.5 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.23 -11.62 15.21 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -170.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -135.32 11.61 3.52 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -172.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -65.52 -35.99 82.5 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.006 -1.059 . . . . 0.0 113.272 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.84 -40.42 65.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.34 0.656 . . . . 0.0 111.36 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -46.12 90.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.277 1.031 . . . . 0.0 110.755 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -59.54 -39.67 84.74 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.567 1.147 . . . . 0.0 112.609 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.15 -50.61 60.62 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.385 -0.822 . . . . 0.0 111.985 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.82 -29.76 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.508 1.123 . . . . 0.0 112.611 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -79.08 -21.11 47.22 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.88 1.272 . . . . 0.0 113.955 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.25 -33.08 9.0 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.513 1.054 . . . . 0.0 114.434 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.49 172.62 10.17 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.383 1.473 . . . . 0.0 114.076 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.69 173.19 6.54 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.825 1.25 . . . . 0.0 113.241 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.83 -27.02 67.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.084 -1.01 . . . . 0.0 113.515 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.49 -30.42 69.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.189 0.996 . . . . 0.0 112.317 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -78.3 -35.71 47.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.453 1.101 . . . . 0.0 111.703 174.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.69 -48.73 80.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.216 0.606 . . . . 0.0 110.716 169.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.05 70.61 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.87 77.33 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -30.1 13.42 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.19 -34.89 59.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.385 1.074 . . . . 0.0 112.208 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.85 -135.72 43.86 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.888 1.232 . . . . 0.0 112.479 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -67.91 -7.08 25.38 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -92.32 1.42 57.24 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.495 1.518 . . . . 0.0 113.942 172.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 149.91 30.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 112.793 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tp -57.57 143.94 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.959 0.903 . . . . 0.0 112.932 -172.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -93.08 -4.57 52.15 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -78.43 157.71 28.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.051 1.341 . . . . 0.0 113.05 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.22 -8.83 75.73 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.201 0.905 . . . . 0.0 114.863 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.52 152.33 20.15 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.27 1.415 . . . . 0.0 112.565 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.68 179.27 50.21 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.491 1.043 . . . . 0.0 114.896 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 t -61.27 149.27 38.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 113.001 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.2 160.4 39.33 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.13 0.871 . . . . 0.0 113.99 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -157.8 17.02 Favored Glycine 0 CA--C 1.536 1.396 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.82 149.88 26.12 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.787 1.66 . . . . 0.0 112.978 -175.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -121.85 4.71 9.96 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -162.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.34 -117.26 10.03 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 119.121 0.873 . . . . 0.0 113.553 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.55 -9.38 58.4 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.915 1.245 . . . . 0.0 115.921 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.07 -126.77 39.28 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 119.02 1.41 . . . . 0.0 114.047 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -61.19 -8.97 4.08 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.401 1.88 . . . . 0.0 115.775 -173.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.8 ttm -65.49 -27.5 68.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.36 1.064 . . . . 0.0 112.521 170.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -75.93 158.27 32.2 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 112.551 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -145.85 151.75 46.49 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 126.082 1.753 . . . . 0.0 111.802 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.07 155.41 69.66 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.592 2.195 . . . . 0.0 112.351 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.1 p -123.07 -10.25 8.16 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.961 1.304 . . . . 0.0 114.169 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -74.79 165.53 25.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.605 1.162 . . . . 0.0 113.342 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 m -64.41 138.46 58.43 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.718 -0.614 . . . . 0.0 110.701 166.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.24 -19.47 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 127.434 2.294 . . . . 0.0 116.416 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.0 -30.27 2.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 126.945 2.212 . . . . 0.0 116.121 163.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -59.06 -42.69 90.94 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.407 1.104 . . . . 0.0 112.877 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.71 -27.21 66.62 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.92 -51.59 7.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.528 1.131 . . . . 0.0 110.981 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.48 -48.38 81.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.229 1.011 . . . . 0.0 112.825 -176.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.6 -47.46 75.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.694 0.798 . . . . 0.0 112.152 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.56 -41.33 98.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.339 -0.851 . . . . 0.0 112.063 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.2 t -60.9 -39.4 89.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.018 0.927 . . . . 0.0 112.95 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -67.54 -47.65 69.26 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.792 0.837 . . . . 0.0 112.014 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.77 -31.7 71.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.217 1.007 . . . . 0.0 113.173 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.4 p -66.05 -27.1 67.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.742 1.155 . . . . 0.0 112.453 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -91.63 -6.88 51.48 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.525 1.93 . . . . 0.0 114.422 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.84 156.53 17.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.616 1.166 . . . . 0.0 112.384 168.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -77.9 161.37 27.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.544 1.138 . . . . 0.0 110.948 176.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -56.61 -43.89 80.61 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.059 -1.026 . . . . 0.0 112.624 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -60.53 -40.15 90.46 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 118.4 0.545 . . . . 0.0 112.321 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.86 -42.39 77.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.14 0.976 . . . . 0.0 112.491 172.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.5 -36.42 83.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.945 1.698 . . . . 0.0 112.586 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.6 mtm -69.73 -40.63 76.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.219 0.607 . . . . 0.0 112.129 168.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.21 78.8 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.56 -35.64 81.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.191 -0.943 . . . . 0.0 111.808 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.32 84.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.846 0.858 . . . . 0.0 112.001 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.38 -44.75 78.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.552 1.141 . . . . 0.0 111.059 172.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -56.87 -51.7 68.04 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.973 0.909 . . . . 0.0 112.564 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.4 -24.8 64.81 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -76.77 -33.45 58.07 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.572 1.149 . . . . 0.0 112.84 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.67 -40.33 69.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.13 0.972 . . . . 0.0 112.466 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -76.67 -30.56 56.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.97 -32.57 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.04 1.291 . . . . 0.0 112.56 -175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.74 -13.92 59.55 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -96.25 -7.84 34.47 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -75.23 152.16 38.35 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.828 0.851 . . . . 0.0 112.474 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 C-N-CA 125.519 1.533 . . . . 0.0 114.146 -179.485 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.222 0 CA-C-O 118.194 -1.337 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.83 -29.23 76.41 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.784 2.989 . . . . 0.0 115.376 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.28 3.09 60.59 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.46 1.029 . . . . 0.0 115.251 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.2 p -77.46 171.33 15.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.62 1.568 . . . . 0.0 113.235 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -71.87 -15.48 62.12 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.105 1.362 . . . . 0.0 114.287 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.1 98.31 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.192 1.397 . . . . 0.0 114.298 -171.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -73.53 170.99 18.64 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 124.166 3.244 . . . . 0.0 113.416 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 pp -138.37 -6.51 1.56 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -141.49 8.51 1.99 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.56 1.544 . . . . 0.0 114.83 -175.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -73.67 -5.94 43.68 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.892 1.277 . . . . 0.0 114.283 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -57.47 -35.83 70.67 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.093 1.357 . . . . 0.0 112.808 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -43.36 99.02 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.434 -0.791 . . . . 0.0 111.425 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.3 t -66.54 -34.91 78.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.121 0.969 . . . . 0.0 112.223 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.17 -47.17 77.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.538 -0.726 . . . . 0.0 111.8 175.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.23 -32.14 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.779 1.232 . . . . 0.0 112.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.56 -26.97 62.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.274 -0.891 . . . . 0.0 113.167 171.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.38 -41.02 12.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.674 1.131 . . . . 0.0 114.574 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.52 170.14 16.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.328 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 178.43 4.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.434 1.094 . . . . 0.0 113.456 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -59.87 -28.44 67.53 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.39 -35.83 81.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.911 0.885 . . . . 0.0 112.266 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.9 -38.24 57.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.971 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.79 -45.72 91.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.309 0.643 . . . . 0.0 111.155 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.43 75.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.081 0.855 . . . . 0.0 113.084 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.69 78.14 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.707 -0.621 . . . . 0.0 112.593 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.35 -30.05 16.77 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -175.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.31 -40.88 25.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.553 1.141 . . . . 0.0 111.727 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.32 -115.61 7.65 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.463 1.03 . . . . 0.0 112.805 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -50.76 -40.52 55.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.48 1.912 . . . . 0.0 113.704 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -92.26 8.59 37.53 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.573 1.149 . . . . 0.0 113.698 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.71 142.22 58.22 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.419 -0.8 . . . . 0.0 111.608 174.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.5 tp -63.52 150.4 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -96.57 22.85 7.49 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.104 1.362 . . . . 0.0 114.014 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -134.68 165.1 26.04 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.08 1.352 . . . . 0.0 112.83 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.97 29.73 1.1 Allowed Glycine 0 CA--C 1.54 1.626 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.06 61.43 3.47 Favored Glycine 0 CA--C 1.536 1.349 0 CA-C-N 119.394 1.597 . . . . 0.0 113.73 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.51 -160.8 9.1 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.489 1.519 . . . . 0.0 114.817 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 16.2 t 67.24 152.91 0.08 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.945 2.098 . . . . 0.0 114.866 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -124.13 -165.82 12.33 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 126.423 1.963 . . . . 0.0 113.415 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -176.34 179.14 47.55 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.872 1.225 . . . . 0.0 113.39 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -168.37 164.44 38.02 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.854 0.74 . . . . 0.0 114.236 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -72.18 -18.55 61.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -175.88 168.27 40.46 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.248 0.928 . . . . 0.0 113.48 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -106.05 -166.82 23.15 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.793 1.663 . . . . 0.0 114.328 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -80.42 -145.75 4.18 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.985 1.279 . . . . 0.0 113.271 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 32.9 t -60.89 134.24 56.89 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.415 -1.05 . . . . 0.0 111.637 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 59.6 ttm -156.52 152.32 27.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.564 1.546 . . . . 0.0 111.207 -172.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -60.76 145.21 50.48 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.716 0.806 . . . . 0.0 112.044 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -64.06 144.57 98.21 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.295 1.038 . . . . 0.0 113.525 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -63.52 168.73 10.94 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.393 2.729 . . . . 0.0 114.293 173.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 35.5 p -138.71 136.57 35.95 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.803 1.641 . . . . 0.0 110.678 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 63.6 p -72.76 137.3 45.77 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.459 -0.776 . . . . 0.0 111.354 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 16.2 t 60.71 -48.35 0.1 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.445 2.698 . . . . 0.0 115.397 -171.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.97 -3.61 20.34 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.594 1.958 . . . . 0.0 114.27 175.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -78.7 1.29 73.59 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 126.754 2.121 . . . . 0.0 115.235 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -50.49 -40.03 50.02 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.092 1.357 . . . . 0.0 112.141 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.6 65.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -76.55 -44.81 33.25 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.628 1.171 . . . . 0.0 110.528 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -66.56 -46.31 76.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 0.0 112.12 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -64.86 -48.38 74.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.612 1.165 . . . . 0.0 112.083 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.89 -29.49 70.44 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.364 -0.835 . . . . 0.0 112.586 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.5 t -67.47 -33.39 75.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.532 1.133 . . . . 0.0 113.395 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -68.61 -48.9 62.93 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.228 -1.545 . . . . 0.0 110.985 167.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.42 -40.06 71.0 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.563 1.145 . . . . 0.0 112.626 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.2 p -71.21 -32.17 68.49 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -76.27 -38.73 55.84 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.723 1.209 . . . . 0.0 113.376 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.72 146.25 51.67 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 0.0 112.36 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 22.7 t -73.58 165.2 25.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.808 1.243 . . . . 0.0 112.602 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -50.67 -39.19 50.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.993 1.717 . . . . 0.0 112.381 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -67.46 -45.04 77.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.671 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.67 -38.62 84.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.434 1.094 . . . . 0.0 112.099 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.08 -39.77 87.26 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.011 1.324 . . . . 0.0 112.5 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 73.0 mtm -67.21 -42.47 84.07 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.701 -0.625 . . . . 0.0 112.453 170.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.56 82.6 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.687 0.795 . . . . 0.0 112.816 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.29 -37.53 85.62 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.835 0.743 . . . . 0.0 111.562 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.89 95.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.218 1.007 . . . . 0.0 112.229 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.21 -47.43 79.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.27 -42.59 99.13 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.267 -0.896 . . . . 0.0 113.13 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.32 -26.83 65.82 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.309 0.959 . . . . 0.0 113.192 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.18 -35.46 66.4 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.175 0.898 . . . . 0.0 112.489 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -70.98 -35.93 72.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.234 1.014 . . . . 0.0 112.532 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -79.53 -36.17 38.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.21 -28.26 63.06 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.911 -1.118 . . . . 0.0 112.794 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.96 -10.01 59.18 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -113.78 5.48 16.36 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.801 1.241 . . . . 0.0 114.216 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.05 165.24 22.31 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.298 -0.876 . . . . 0.0 112.234 166.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 125.292 1.425 . . . . 0.0 112.494 177.403 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.905 -0.386 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -67.73 161.45 43.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.287 3.325 . . . . 0.0 112.718 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.89 -112.45 3.6 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.249 0.928 . . . . 0.0 112.933 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 t -146.51 158.75 43.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.802 1.641 . . . . 0.0 111.759 -175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -62.9 -26.02 68.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.258 1.023 . . . . 0.0 113.184 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.23 152.91 0.11 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 128.147 2.579 . . . . 0.0 115.446 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.71 147.51 75.82 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.691 2.261 . . . . 0.0 111.839 172.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.52 -16.18 3.47 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -92.22 -13.12 30.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.486 1.514 . . . . 0.0 113.64 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -72.62 143.53 48.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.362 1.065 . . . . 0.0 111.962 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -59.54 -39.44 83.98 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.033 1.333 . . . . 0.0 112.726 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.72 -46.69 86.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.756 -0.59 . . . . 0.0 111.297 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 t -65.34 -37.52 87.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.517 0.727 . . . . 0.0 112.404 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.71 -47.21 79.15 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.507 0.723 . . . . 0.0 112.184 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -68.47 -29.86 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.691 1.196 . . . . 0.0 112.886 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.2 -32.04 62.89 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 112.889 172.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.22 -26.34 44.45 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.772 1.177 . . . . 0.0 115.239 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.74 -174.39 2.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.877 1.271 . . . . 0.0 113.313 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.65 164.64 23.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.697 1.599 . . . . 0.0 112.586 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.6 -22.88 62.43 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.83 -35.72 80.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.151 0.98 . . . . 0.0 112.894 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.46 -36.68 63.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.424 1.09 . . . . 0.0 111.569 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.14 -46.06 82.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.441 0.696 . . . . 0.0 111.173 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.1 -33.38 73.28 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 112.899 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.5 87.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -28.51 18.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.9 -40.74 46.34 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.754 1.222 . . . . 0.0 111.928 172.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.84 -130.56 49.78 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.894 0.759 . . . . 0.0 112.476 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.5 -15.37 57.67 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 178.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.1 0.78 39.09 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.83 144.37 44.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.176 -0.953 . . . . 0.0 112.802 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.49 145.38 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.166 0.986 . . . . 0.0 113.476 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -94.02 61.61 2.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.846 1.258 . . . . 0.0 110.159 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 62.99 160.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 116.567 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 169.73 45.96 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.767 1.651 . . . . 0.0 115.719 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.51 101.14 0.7 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.081 1.8 . . . . 0.0 114.204 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.38 162.16 20.03 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.065 1.317 . . . . 0.0 115.326 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -81.52 -28.99 33.74 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.527 1.131 . . . . 0.0 113.566 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.97 -169.11 51.63 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.54 1.067 . . . . 0.0 114.621 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.18 -148.07 38.73 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.333 0.968 . . . . 0.0 113.776 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.13 -166.39 11.24 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.982 1.277 . . . . 0.0 113.515 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t -146.02 176.19 9.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 111.601 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.25 -20.38 62.95 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 124.878 1.228 . . . . 0.0 115.648 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.16 53.33 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.154 1.359 . . . . 0.0 114.841 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.63 -160.2 53.49 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.304 0.955 . . . . 0.0 113.744 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.1 t -153.44 155.86 37.12 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.555 1.542 . . . . 0.0 111.254 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.92 121.7 17.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.095 0.958 . . . . 0.0 112.05 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -83.09 -17.16 44.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.251 1.02 . . . . 0.0 113.563 171.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -74.94 153.79 86.8 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.722 2.009 . . . . 0.0 112.685 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.81 165.78 29.89 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.809 2.34 . . . . 0.0 111.991 169.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -152.07 151.32 30.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.958 1.303 . . . . 0.0 111.564 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.5 m -83.17 -9.3 59.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.735 1.384 . . . . 0.0 114.735 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.2 p -154.04 165.39 36.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.061 1.344 . . . . 0.0 113.028 -175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -63.32 133.32 53.93 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.91 0.884 . . . . 0.0 112.228 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.96 -14.1 32.24 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 -59.34 -43.95 92.71 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.507 1.153 . . . . 0.0 113.24 -168.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -35.91 80.71 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -74.71 -44.47 49.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.499 0.72 . . . . 0.0 112.151 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.16 -48.26 79.19 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.626 -0.671 . . . . 0.0 111.643 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -65.65 -47.78 74.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.649 0.78 . . . . 0.0 112.115 -176.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.57 -37.37 86.48 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.132 -0.98 . . . . 0.0 112.143 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.0 t -63.53 -48.97 75.33 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.531 0.605 . . . . 0.0 112.257 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.6 -37.23 73.84 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.894 -1.129 . . . . 0.0 112.301 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.79 -18.72 65.52 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.967 1.258 . . . . 0.0 113.853 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -74.82 -43.23 55.72 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.742 1.61 . . . . 0.0 111.021 169.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -66.43 -46.55 76.12 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.464 1.506 . . . . 0.0 113.997 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.36 151.43 32.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 113.02 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.8 t -67.66 154.04 42.37 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.621 1.169 . . . . 0.0 111.97 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -56.53 -29.35 61.8 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.959 -1.088 . . . . 0.0 112.526 168.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -62.52 -44.85 95.35 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.476 -0.765 . . . . 0.0 112.348 170.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.15 -40.7 78.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.793 1.237 . . . . 0.0 112.081 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.9 -42.36 93.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.822 1.249 . . . . 0.0 112.166 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.57 -45.86 90.99 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.699 0.681 . . . . 0.0 112.227 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.08 76.66 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.27 -37.71 86.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.268 0.94 . . . . 0.0 111.83 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.23 90.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.684 0.793 . . . . 0.0 111.856 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -45.43 79.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.597 0.759 . . . . 0.0 110.731 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -61.08 -46.29 91.26 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.807 0.843 . . . . 0.0 113.023 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.36 -23.36 62.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -37.56 51.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.05 0.94 . . . . 0.0 112.617 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.7 -36.11 83.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.396 1.078 . . . . 0.0 112.719 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -80.79 -35.89 32.48 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.22 -25.47 63.41 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.719 -1.238 . . . . 0.0 113.139 -173.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.05 -7.65 58.97 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -121.84 -17.18 7.43 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -70.61 162.87 28.14 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.567 1.076 . . . . 0.0 112.46 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.828 176.605 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -66.25 -23.55 52.01 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.228 2.619 . . . . 0.0 113.532 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.96 4.25 81.0 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.664 1.602 . . . . 0.0 115.872 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 84.4 p -142.21 170.92 14.79 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.213 1.506 . . . . 0.0 113.016 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.95 -21.94 65.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.61 152.08 0.11 Allowed Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 128.273 2.629 . . . . 0.0 115.763 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.56 148.29 91.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.652 2.901 . . . . 0.0 113.981 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.7 -29.65 14.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.88 1.272 . . . . 0.0 112.042 161.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -86.55 42.59 1.02 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.46 1.904 . . . . 0.0 111.801 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 18.9 p -60.01 157.45 12.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.753 1.621 . . . . 0.0 113.515 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -58.84 -45.23 90.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.251 1.02 . . . . 0.0 111.039 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.69 -39.62 92.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.443 -0.786 . . . . 0.0 111.959 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -65.19 -46.23 81.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.965 0.506 . . . . 0.0 112.149 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -70.57 -45.37 65.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.78 -28.36 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.384 1.473 . . . . 0.0 112.548 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.0 -20.28 49.49 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.029 -1.044 . . . . 0.0 113.752 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.16 -32.66 9.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.034 1.302 . . . . 0.0 115.09 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.45 175.48 4.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.406 1.882 . . . . 0.0 113.562 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.7 168.12 10.31 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.198 1.399 . . . . 0.0 113.353 174.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.75 -24.86 64.39 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.532 -1.355 . . . . 0.0 114.176 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -66.93 -32.66 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.524 -0.735 . . . . 0.0 112.686 172.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -72.13 -38.49 69.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.664 1.186 . . . . 0.0 111.543 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.04 -47.64 82.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.413 0.685 . . . . 0.0 110.185 172.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.83 90.47 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.34 -30.27 20.93 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.22 -39.03 34.21 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.255 1.022 . . . . 0.0 112.491 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.79 33.69 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.604 0.621 . . . . 0.0 111.929 -174.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.46 -21.31 62.2 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -75.92 -7.27 54.16 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.66 137.71 58.15 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.082 -1.012 . . . . 0.0 111.727 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp -64.13 143.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.686 0.794 . . . . 0.0 112.599 -172.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -84.83 -10.02 57.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.02 -18.47 50.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.615 1.166 . . . . 0.0 113.889 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.15 151.27 2.76 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 125.277 1.418 . . . . 0.0 114.183 -171.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -86.22 -9.19 76.98 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.677 1.132 . . . . 0.0 115.209 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.97 -24.42 66.84 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 118.509 1.155 . . . . 0.0 115.743 -170.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 24.6 m -63.17 -19.92 64.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.646 1.178 . . . . 0.0 113.985 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -78.29 -11.88 84.88 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.831 1.205 . . . . 0.0 114.98 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.4 122.41 29.18 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 118.644 1.222 . . . . 0.0 112.95 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 72.02 3.98 57.75 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.817 1.199 . . . . 0.0 115.312 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 16.1 t -72.0 154.7 41.0 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.971 1.386 . . . . 0.0 113.041 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 72.23 41.42 53.35 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.18 0.895 . . . . 0.0 115.08 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.53 163.84 48.97 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 118.421 1.111 . . . . 0.0 114.593 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 78.73 -176.29 54.57 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.719 1.152 . . . . 0.0 114.465 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 98.6 p -156.6 170.94 21.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.519 1.528 . . . . 0.0 112.134 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 44.2 tpp -147.91 150.5 34.21 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.3 1.44 . . . . 0.0 111.66 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -68.27 163.35 23.09 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.854 1.262 . . . . 0.0 113.683 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.06 148.4 95.34 Favored Pre-proline 0 N--CA 1.486 1.34 0 C-N-CA 124.127 0.971 . . . . 0.0 112.209 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.28 171.38 6.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.011 3.141 . . . . 0.0 114.508 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.6 p -67.52 -13.79 62.36 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.626 1.17 . . . . 0.0 114.017 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 40.4 t -141.08 107.92 5.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.08 1.752 . . . . 0.0 109.601 168.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 73.7 m -83.54 86.39 7.11 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.256 1.022 . . . . 0.0 111.982 -172.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -66.3 -44.66 82.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.956 0.902 . . . . 0.0 110.962 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 91.96 -66.21 2.21 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 126.419 1.961 . . . . 0.0 113.643 163.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -61.35 -28.81 69.49 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.912 1.285 . . . . 0.0 113.684 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -81.8 -58.96 2.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.236 2.214 . . . . 0.0 111.404 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -71.76 -40.59 69.22 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -169.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.21 -42.01 93.93 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 111.741 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.77 -50.06 63.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.246 1.018 . . . . 0.0 111.953 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.19 -40.28 85.21 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.096 0.558 . . . . 0.0 111.955 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 47.2 t -61.25 -51.23 69.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.933 0.893 . . . . 0.0 112.264 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.12 -45.82 91.76 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.071 -1.018 . . . . 0.0 112.141 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -30.25 71.4 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 118.9 -0.572 . . . . 0.0 112.49 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.7 p -69.53 -26.38 64.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.723 1.147 . . . . 0.0 113.438 173.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -88.41 -33.12 18.0 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.321 1.448 . . . . 0.0 113.376 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.33 153.64 42.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.098 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.2 t -66.03 157.16 31.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.4 . . . . 0.0 113.303 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -53.83 -39.77 65.87 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.64 1.576 . . . . 0.0 112.148 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -70.04 -40.68 74.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.013 0.925 . . . . 0.0 112.292 176.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -66.3 -40.16 89.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.143 0.977 . . . . 0.0 112.524 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.11 -44.86 92.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.705 1.202 . . . . 0.0 112.234 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 56.8 mtm -61.74 -44.06 97.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.727 0.411 . . . . 0.0 111.708 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.84 -46.47 71.71 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.95 -39.35 93.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.388 0.994 . . . . 0.0 111.539 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.54 96.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.378 1.071 . . . . 0.0 112.214 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.45 -45.74 82.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.502 -0.749 . . . . 0.0 110.86 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.21 -45.27 94.08 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.349 -0.844 . . . . 0.0 113.264 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.85 -25.17 63.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.926 0.785 . . . . 0.0 112.788 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -75.01 -34.75 61.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.265 1.026 . . . . 0.0 112.157 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.69 -35.66 72.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.441 1.096 . . . . 0.0 112.683 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -80.61 -36.71 32.33 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.78 -24.13 65.29 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 112.99 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.5 -5.2 59.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -126.78 -12.06 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -68.51 161.83 26.97 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.782 1.174 . . . . 0.0 112.888 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 C-N-CA 125.445 1.498 . . . . 0.0 114.198 179.581 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -59.57 159.35 24.22 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 124.542 3.495 . . . . 0.0 114.705 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.24 -160.52 16.17 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.179 1.371 . . . . 0.0 113.648 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -138.44 150.27 46.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.461 1.504 . . . . 0.0 111.377 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -136.15 -9.04 2.02 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -158.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.72 143.16 94.2 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.032 1.333 . . . . 0.0 113.858 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.16 166.02 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.007 3.138 . . . . 0.0 113.536 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.99 -7.29 3.5 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.781 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -138.36 35.88 2.28 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.665 1.986 . . . . 0.0 111.74 -166.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.9 p -55.55 157.75 3.78 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.377 1.471 . . . . 0.0 114.378 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -59.95 -32.53 70.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.14 1.376 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.12 -45.28 91.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.86 1.264 . . . . 0.0 111.993 -174.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -73.71 -27.94 61.46 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.866 0.866 . . . . 0.0 113.082 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -70.76 -45.43 64.81 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.955 -1.09 . . . . 0.0 111.827 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.99 -24.53 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.62 1.568 . . . . 0.0 112.497 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -80.21 -21.12 43.25 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 169.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.54 -29.78 11.64 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.323 0.963 . . . . 0.0 115.321 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.43 173.2 7.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.011 1.725 . . . . 0.0 113.667 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.44 167.27 10.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.776 1.23 . . . . 0.0 113.166 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.72 -25.33 66.36 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.01 -32.35 73.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.747 0.819 . . . . 0.0 112.566 172.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -72.25 -35.74 68.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.393 1.077 . . . . 0.0 111.71 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.08 -50.29 64.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.702 0.801 . . . . 0.0 110.864 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -33.57 70.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.151 0.98 . . . . 0.0 113.309 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.1 75.15 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.17 -27.03 13.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 -40.02 62.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.31 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.17 -127.06 44.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.174 0.892 . . . . 0.0 113.418 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.08 -24.38 67.88 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.125 0.97 . . . . 0.0 113.538 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -83.68 4.57 28.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.987 1.315 . . . . 0.0 114.528 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.32 146.53 43.72 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.058 -1.026 . . . . 0.0 112.111 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp -64.54 151.31 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.279 1.431 . . . . 0.0 113.207 -171.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -114.92 12.09 16.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.221 1.408 . . . . 0.0 114.178 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.3 166.79 21.77 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.362 1.065 . . . . 0.0 112.244 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.27 -8.76 66.41 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.574 1.083 . . . . 0.0 115.784 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.02 -62.19 3.33 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 126.059 1.79 . . . . 0.0 114.591 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.86 -164.33 39.45 Favored Glycine 0 CA--C 1.542 1.746 0 C-N-CA 124.759 1.171 . . . . 0.0 114.024 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 m -67.87 145.92 54.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.236 1.015 . . . . 0.0 113.027 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.19 170.1 30.66 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.91 1.243 . . . . 0.0 113.968 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.57 146.21 5.43 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.621 1.105 . . . . 0.0 113.179 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.39 151.05 32.38 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.966 0.793 . . . . 0.0 113.654 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -109.15 12.92 24.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.424 1.49 . . . . 0.0 113.618 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.37 7.34 87.74 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.493 1.52 . . . . 0.0 114.756 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.24 -173.5 54.92 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.989 1.28 . . . . 0.0 116.071 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.49 50.86 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.793 1.187 . . . . 0.0 114.349 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.8 t 59.39 95.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.157 2.183 . . . . 0.0 113.02 -172.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 tpt -150.08 150.48 31.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.784 1.234 . . . . 0.0 112.244 -171.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.37 154.65 39.53 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.964 0.906 . . . . 0.0 112.812 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.69 146.98 98.68 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.549 1.14 . . . . 0.0 112.609 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.94 163.68 38.38 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.487 2.792 . . . . 0.0 113.202 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -136.67 150.85 48.71 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.762 1.625 . . . . 0.0 111.39 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -78.51 -28.89 46.34 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -166.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 p -73.23 -47.81 40.24 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.473 1.109 . . . . 0.0 112.321 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -156.77 166.69 32.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.537 1.935 . . . . 0.0 111.152 167.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.87 -25.88 0.13 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.969 1.148 . . . . 0.0 115.969 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -58.66 -42.78 89.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.929 1.365 . . . . 0.0 112.539 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -71.14 -43.29 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.56 1.544 . . . . 0.0 112.061 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.04 -45.76 66.45 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.009 1.324 . . . . 0.0 112.144 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.5 -41.74 79.6 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.009 0.924 . . . . 0.0 112.085 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.54 -48.02 76.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.796 0.838 . . . . 0.0 111.542 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' H ' ' B' ' 130' ' ' GLU . 37.8 tp -60.61 -42.32 96.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.737 0.699 . . . . 0.0 112.34 174.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -66.18 -27.81 68.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.2 -45.32 18.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.707 0.803 . . . . 0.0 111.023 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.21 -34.66 78.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.768 0.827 . . . . 0.0 112.83 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.4 p -65.53 -32.23 73.72 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.434 1.015 . . . . 0.0 112.376 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.43 -31.07 42.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.625 1.57 . . . . 0.0 113.569 176.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.45 148.56 50.45 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 113.056 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -71.94 159.7 33.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.626 1.571 . . . . 0.0 112.924 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -53.21 -38.74 63.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.245 1.418 . . . . 0.0 112.614 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -67.02 -40.46 87.26 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.485 0.714 . . . . 0.0 112.751 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -37.06 77.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.472 1.109 . . . . 0.0 112.535 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.52 -43.14 99.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.708 1.203 . . . . 0.0 112.125 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.3 mtm -59.21 -47.0 86.96 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.02 0.373 . . . . 0.0 111.787 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.56 72.38 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -39.88 94.4 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.898 1.226 . . . . 0.0 111.313 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.92 86.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.943 1.297 . . . . 0.0 112.101 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.98 -46.57 84.03 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.648 -0.658 . . . . 0.0 111.049 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.75 -46.18 90.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.615 0.766 . . . . 0.0 112.427 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.91 -25.96 65.75 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.57 1.077 . . . . 0.0 113.399 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -74.92 -38.9 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.645 1.178 . . . . 0.0 112.881 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.46 -39.69 92.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.999 0.92 . . . . 0.0 111.926 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -80.64 -27.19 37.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -76.88 -30.77 56.36 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.872 1.215 . . . . 0.0 113.571 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.39 -12.38 60.05 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -106.38 9.16 31.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.05 1.34 . . . . 0.0 113.917 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.56 145.36 56.18 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.959 0.904 . . . . 0.0 112.554 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 C-N-CA 125.467 1.508 . . . . 0.0 113.407 175.622 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.48 150.15 77.38 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.107 3.205 . . . . 0.0 114.818 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 -167.71 43.81 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.681 1.134 . . . . 0.0 114.402 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 27.3 t 65.73 150.2 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.01 2.524 . . . . 0.0 116.058 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.04 -6.11 58.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.098 1.759 . . . . 0.0 113.676 171.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.91 147.86 0.11 Allowed Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.663 2.785 . . . . 0.0 113.748 -166.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.27 147.82 73.04 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.886 2.391 . . . . 0.0 113.944 -171.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -115.35 -14.09 11.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.463 1.905 . . . . 0.0 112.918 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 45.4 p-10 -89.9 21.99 3.36 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.537 1.935 . . . . 0.0 112.922 176.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 41.9 p -56.25 148.26 18.88 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.741 1.616 . . . . 0.0 113.388 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -61.13 -29.16 69.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.903 1.681 . . . . 0.0 113.843 -167.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.97 -30.57 68.02 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 112.558 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -63.3 -35.6 80.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 112.326 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -72.03 -45.21 61.71 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.551 0.74 . . . . 0.0 111.624 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.02 -31.22 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.334 1.054 . . . . 0.0 112.311 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.69 -25.82 61.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.955 0.902 . . . . 0.0 113.221 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.51 -27.86 10.21 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.44 177.17 4.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.869 1.668 . . . . 0.0 114.372 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.52 172.38 7.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.851 1.66 . . . . 0.0 112.884 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -60.85 -27.13 67.87 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.25 -29.72 70.02 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.112 -0.992 . . . . 0.0 113.264 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -75.28 -36.75 61.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.712 0.805 . . . . 0.0 111.627 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.18 -43.62 94.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.315 0.646 . . . . 0.0 110.632 174.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.78 69.92 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.64 53.45 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -31.63 27.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.08 -61.23 2.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.331 0.969 . . . . 0.0 110.837 165.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.21 -71.69 0.6 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.026 1.298 . . . . 0.0 112.7 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -144.72 124.79 13.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.152 2.181 . . . . 0.0 108.156 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.415 ' H ' HD23 ' A' ' 61' ' ' LEU . 40.0 mm-40 -83.82 81.02 8.95 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 131.263 3.825 . . . . 0.0 114.457 1.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.03 152.3 44.94 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.216 158.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp -62.61 146.38 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -109.85 51.22 0.76 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.686 1.595 . . . . 0.0 111.111 173.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 61.4 17.16 8.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.448 1.899 . . . . 0.0 115.072 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.08 -4.31 72.14 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.553 1.549 . . . . 0.0 114.838 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.9 166.66 39.59 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.922 1.725 . . . . 0.0 112.172 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.98 -166.93 40.1 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.842 0.735 . . . . 0.0 114.078 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 85.5 p -84.87 16.3 3.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.548 1.939 . . . . 0.0 114.742 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.79 49.01 1.68 Allowed Glycine 0 CA--C 1.539 1.543 0 C-N-CA 126.798 2.142 . . . . 0.0 116.596 -172.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.97 176.34 48.13 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.178 1.371 . . . . 0.0 114.862 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.46 72.56 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.652 1.12 . . . . 0.0 115.462 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 80.1 p -69.77 168.91 14.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.667 1.587 . . . . 0.0 114.092 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -70.67 -171.69 10.81 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.149 1.357 . . . . 0.0 114.963 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -65.55 157.12 48.05 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.236 0.922 . . . . 0.0 114.743 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.53 170.45 45.72 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.473 1.035 . . . . 0.0 114.586 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 23.3 t -67.41 152.86 44.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 67.2 ttp -144.69 133.5 22.4 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.781 1.632 . . . . 0.0 110.995 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -94.57 -3.05 50.44 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -174.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.53 144.63 89.12 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.481 1.113 . . . . 0.0 112.266 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.39 155.37 52.62 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.383 2.722 . . . . 0.0 114.107 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.6 p -74.42 -18.06 60.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.963 1.305 . . . . 0.0 113.515 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 21.3 t 64.16 -53.15 0.26 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.431 2.693 . . . . 0.0 114.902 -171.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 82.0 p -155.08 152.08 29.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.78 1.632 . . . . 0.0 111.07 172.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 49.69 -114.17 0.69 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.04 1.736 . . . . 0.0 112.632 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.71 0.41 68.19 Favored Glycine 0 CA--C 1.535 1.303 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 170.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -56.13 -41.08 74.76 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.208 1.504 . . . . 0.0 112.372 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.95 -39.78 79.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.931 1.293 . . . . 0.0 112.702 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -71.94 -42.74 66.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.585 0.754 . . . . 0.0 112.198 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -62.06 -39.35 92.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.576 1.15 . . . . 0.0 111.656 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.66 -53.92 12.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.223 -0.923 . . . . 0.0 112.159 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.79 -38.47 90.76 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.08 -1.012 . . . . 0.0 113.48 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 -20.53 65.37 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -82.35 -50.26 9.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.696 1.198 . . . . 0.0 110.358 169.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.2 -28.92 70.02 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.599 -0.688 . . . . 0.0 112.652 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 77.9 p -69.38 -31.13 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.939 -1.101 . . . . 0.0 113.673 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -95.8 -21.4 18.15 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 150.15 49.25 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.865 1.266 . . . . 0.0 112.314 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 27.2 t -76.1 162.1 28.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.581 1.552 . . . . 0.0 113.018 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -51.84 -43.71 63.31 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.541 1.537 . . . . 0.0 112.419 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -64.76 -42.18 95.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.093 0.957 . . . . 0.0 113.127 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.51 -38.66 87.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.509 0.724 . . . . 0.0 112.16 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.57 -43.27 99.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.318 1.047 . . . . 0.0 112.217 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.27 -40.97 97.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.584 0.354 . . . . 0.0 111.934 172.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.98 69.87 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -40.34 96.67 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.24 0.927 . . . . 0.0 111.263 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.4 -42.14 88.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.829 1.251 . . . . 0.0 112.089 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.48 -48.3 78.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.629 0.772 . . . . 0.0 111.728 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.84 -45.17 95.54 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.436 -0.79 . . . . 0.0 112.623 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.38 -24.34 62.94 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.064 0.847 . . . . 0.0 113.122 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -75.66 -37.75 59.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.254 1.022 . . . . 0.0 112.873 170.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.3 -34.48 78.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.902 0.881 . . . . 0.0 112.827 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -84.4 -33.43 23.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.11 -23.55 62.12 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.801 -1.187 . . . . 0.0 113.214 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.05 -7.87 58.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -123.14 -19.54 5.99 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.09 157.45 37.54 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.608 1.094 . . . . 0.0 112.955 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.454 0 C-N-CA 125.52 1.533 . . . . 0.0 113.729 179.072 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 CA-C-O 119.829 -0.428 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.09 147.07 96.74 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.89 3.06 . . . . 0.0 113.885 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.22 159.95 14.92 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.794 1.188 . . . . 0.0 113.267 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -72.44 138.75 47.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.111 0.964 . . . . 0.0 112.651 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -84.69 -4.0 58.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.91 151.31 0.12 Allowed Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 128.512 2.725 . . . . 0.0 113.882 -169.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.0 151.33 84.24 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.034 2.49 . . . . 0.0 113.14 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -115.9 -5.16 12.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.554 1.542 . . . . 0.0 114.409 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -138.91 2.84 2.18 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -68.73 -36.34 78.29 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.69 -1.256 . . . . 0.0 112.196 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -69.12 -36.53 77.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.313 0.645 . . . . 0.0 111.421 176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.75 -45.29 90.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.836 1.254 . . . . 0.0 110.507 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 m -69.73 -28.45 65.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.913 0.885 . . . . 0.0 112.234 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -68.91 -46.04 69.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.176 0.99 . . . . 0.0 112.066 169.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.76 -32.35 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.6 1.16 . . . . 0.0 112.428 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.85 -19.92 58.51 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.82 -44.15 5.83 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.977 1.275 . . . . 0.0 113.717 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.82 159.75 33.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.733 1.213 . . . . 0.0 113.449 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.01 175.96 5.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.4 1.08 . . . . 0.0 113.782 -172.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -60.85 -28.57 68.94 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.71 -33.5 75.77 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.468 -0.77 . . . . 0.0 112.589 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -76.8 -37.57 55.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.281 1.032 . . . . 0.0 111.781 175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.89 -47.14 87.74 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.663 0.785 . . . . 0.0 110.995 171.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.92 72.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.488 -0.757 . . . . 0.0 112.992 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.84 80.77 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 113.051 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.13 -28.66 16.18 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.7 -33.19 27.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.849 1.259 . . . . 0.0 112.67 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.72 -136.08 35.89 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.77 1.176 . . . . 0.0 113.084 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.76 -23.58 65.09 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.578 1.151 . . . . 0.0 113.447 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.23 12.03 23.73 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.037 1.335 . . . . 0.0 114.453 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -57.2 139.15 53.5 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.876 -1.14 . . . . 0.0 110.403 162.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -61.27 146.8 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.523 0.729 . . . . 0.0 112.711 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -95.92 0.14 51.56 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -93.27 156.62 16.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.8 1.64 . . . . 0.0 112.679 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.01 39.28 1.81 Allowed Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.357 1.456 . . . . 0.0 114.463 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.46 169.62 46.93 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.817 1.675 . . . . 0.0 114.888 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.42 -169.38 39.77 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.02 1.295 . . . . 0.0 113.055 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.3 p -73.06 -22.17 60.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 14.36 82.52 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.507 1.051 . . . . 0.0 114.251 -171.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.3 -151.48 40.22 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.536 1.168 . . . . 0.0 113.196 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.45 95.04 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.597 0.618 . . . . 0.0 113.46 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -54.92 142.66 28.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.77 1.628 . . . . 0.0 113.817 -171.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.07 178.87 43.03 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.481 1.039 . . . . 0.0 114.754 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.22 -166.9 35.31 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.528 1.537 . . . . 0.0 112.96 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.21 -9.87 38.07 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.835 1.207 . . . . 0.0 115.922 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.9 p -72.35 -21.17 61.35 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.097 1.359 . . . . 0.0 113.698 171.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.5 ttm -74.86 139.3 43.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.675 1.19 . . . . 0.0 111.242 174.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -148.84 152.06 35.83 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.841 1.256 . . . . 0.0 112.863 -175.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.52 154.51 94.37 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 126.166 1.786 . . . . 0.0 112.483 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -62.07 148.12 93.79 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.425 2.083 . . . . 0.0 112.209 168.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -75.65 -15.37 60.33 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 p -137.92 175.42 9.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.477 1.911 . . . . 0.0 112.033 -171.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -68.14 -31.42 70.97 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.616 1.167 . . . . 0.0 113.651 -173.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -78.3 163.65 25.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.734 1.614 . . . . 0.0 112.446 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.63 81.57 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 121.389 -0.819 . . . . 0.0 114.43 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -57.81 -37.64 74.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.591 1.156 . . . . 0.0 111.991 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.65 77.74 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.501 1.121 . . . . 0.0 113.07 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -74.05 -44.61 53.65 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.888 0.875 . . . . 0.0 111.102 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.38 -46.79 87.68 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.779 1.232 . . . . 0.0 111.798 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -62.06 -53.57 53.61 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.589 1.155 . . . . 0.0 111.728 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.96 -36.78 85.48 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.321 -0.862 . . . . 0.0 112.972 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 t -65.5 -34.48 78.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.73 1.212 . . . . 0.0 113.358 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -80.54 -38.91 28.74 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.725 1.148 . . . . 0.0 112.761 171.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.35 -37.31 67.3 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.272 1.029 . . . . 0.0 113.606 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -66.79 -22.82 66.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -85.7 -25.65 26.38 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.293 1.837 . . . . 0.0 112.903 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.53 150.19 47.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.571 1.548 . . . . 0.0 111.532 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.7 p -69.46 167.84 15.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.955 0.902 . . . . 0.0 112.539 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -57.89 -38.12 75.22 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.516 -0.74 . . . . 0.0 111.885 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -65.85 -43.3 88.87 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.678 -0.639 . . . . 0.0 112.05 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.37 -39.38 89.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.594 0.758 . . . . 0.0 112.214 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.69 -38.74 85.99 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.496 1.118 . . . . 0.0 112.566 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.9 mtm -70.28 -41.22 73.68 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.877 -0.515 . . . . 0.0 112.281 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.77 82.42 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -177.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.42 -38.0 88.62 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.042 0.837 . . . . 0.0 111.322 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.67 93.77 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.371 1.068 . . . . 0.0 112.305 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.522 1.129 . . . . 0.0 111.192 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.46 -47.65 85.21 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.657 0.783 . . . . 0.0 112.764 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.05 -24.15 64.14 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.34 -40.73 50.53 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.057 0.844 . . . . 0.0 112.377 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.8 -37.92 89.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.495 0.718 . . . . 0.0 111.981 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -80.12 -26.73 39.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -78.62 -32.28 47.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.114 1.325 . . . . 0.0 113.266 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.26 -17.61 60.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -94.78 3.18 55.32 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -64.91 146.42 54.96 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.053 -1.029 . . . . 0.0 112.734 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.424 1.488 . . . . 0.0 112.653 173.9 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.19 168.36 22.33 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.363 3.375 . . . . 0.0 113.103 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.93 -160.52 48.53 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.274 0.94 . . . . 0.0 113.952 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -65.75 146.57 54.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.072 0.949 . . . . 0.0 112.826 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -76.28 -12.17 60.03 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.154 1.382 . . . . 0.0 114.297 -174.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.82 161.67 34.25 Favored Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 126.703 2.001 . . . . 0.0 112.076 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.51 148.78 79.25 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.858 3.039 . . . . 0.0 113.95 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -96.78 -29.25 13.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.066 1.347 . . . . 0.0 112.318 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.05 44.97 1.01 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.071 1.748 . . . . 0.0 111.542 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 34.0 p -46.91 115.41 1.06 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.924 1.689 . . . . 0.0 112.845 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -74.58 -45.67 43.72 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -154.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.11 -32.39 73.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.717 -0.614 . . . . 0.0 112.084 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 m -75.32 -43.8 48.85 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.133 0.973 . . . . 0.0 112.614 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.29 -48.33 61.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.166 0.986 . . . . 0.0 112.743 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -66.6 -24.36 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.446 . . . . 0.0 112.697 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -80.17 -25.46 39.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.903 -1.123 . . . . 0.0 113.895 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.07 -36.03 25.8 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.041 0.829 . . . . 0.0 114.171 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -76.83 176.72 8.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.741 1.617 . . . . 0.0 113.225 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.44 178.44 6.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.148 1.379 . . . . 0.0 113.309 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -58.93 -30.05 67.56 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -64.93 -33.42 75.97 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 112.507 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.01 -36.11 49.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.526 1.13 . . . . 0.0 111.711 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.32 -45.24 94.11 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 110.935 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.96 73.39 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 174.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.2 74.4 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.943 0.792 . . . . 0.0 112.703 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.87 -32.99 30.79 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.02 -38.31 53.17 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.754 1.161 . . . . 0.0 112.144 169.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.1 -132.29 30.8 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.528 0.585 . . . . 0.0 111.95 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.65 -16.6 61.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.82 -1.7 40.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.928 1.291 . . . . 0.0 113.99 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.09 150.65 42.14 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.421 HD13 ' HE2' ' B' ' 169' ' ' LYS . 8.6 tp -62.95 142.46 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.986 0.915 . . . . 0.0 112.995 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -93.75 52.78 1.73 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.345 1.458 . . . . 0.0 110.587 168.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 62.83 152.8 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 128.043 2.537 . . . . 0.0 114.877 -169.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 173.57 -157.65 26.31 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.845 1.212 . . . . 0.0 113.22 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -165.24 175.19 41.11 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.029 0.823 . . . . 0.0 113.557 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -172.29 -170.96 36.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.233 -1.745 . . . . 0.0 113.296 2.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 38.8 t -132.94 141.28 48.26 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.362 1.465 . . . . 0.0 110.813 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.84 143.11 10.36 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.425 1.012 . . . . 0.0 112.669 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.69 176.47 33.92 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 124.866 1.222 . . . . 0.0 112.502 -164.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -166.26 72.17 0.17 Allowed Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.975 0.798 . . . . 0.0 112.872 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.0 p -154.29 157.96 39.46 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.774 1.63 . . . . 0.0 111.728 -174.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.92 -164.6 39.51 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 128.059 2.742 . . . . 0.0 114.214 -7.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.18 161.13 33.72 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.418 1.485 . . . . 0.0 112.232 174.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 61.84 -119.79 19.59 Favored Glycine 0 CA--C 1.532 1.135 0 O-C-N 122.001 -0.705 . . . . 0.0 111.783 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -67.9 -16.67 64.19 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.867 1.267 . . . . 0.0 114.083 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 69.8 mtm 62.76 165.62 0.11 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.627 2.371 . . . . 0.0 115.149 -177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -71.5 107.94 4.66 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.145 0.978 . . . . 0.0 111.044 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.22 132.65 76.07 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.681 0.792 . . . . 0.0 111.571 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.45 163.12 34.93 Favored 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 123.27 2.647 . . . . 0.0 112.066 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.9 t -67.63 154.13 42.16 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.734 0.814 . . . . 0.0 111.649 164.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 84.3 p -70.6 -18.27 62.89 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.167 0.987 . . . . 0.0 113.213 172.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 21.6 t -76.56 -35.89 57.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.881 1.272 . . . . 0.0 114.17 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -162.21 167.15 24.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.417 1.487 . . . . 0.0 112.044 -171.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 164.0 -6.34 0.07 OUTLIER Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.251 1.261 . . . . 0.0 116.251 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -63.58 -32.56 74.06 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.559 1.68 . . . . 0.0 113.608 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -37.88 27.45 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.109 1.364 . . . . 0.0 112.857 174.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.84 -44.57 66.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.439 1.096 . . . . 0.0 112.194 -175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -62.57 -46.96 85.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.029 0.932 . . . . 0.0 111.463 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.66 -48.93 75.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.45 1.1 . . . . 0.0 112.133 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.19 -37.76 88.35 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.421 -0.799 . . . . 0.0 112.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 45.6 t -61.89 -45.87 91.86 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.762 0.71 . . . . 0.0 111.675 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -63.51 -49.77 72.25 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.393 1.077 . . . . 0.0 111.728 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.84 -31.69 72.95 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.761 0.824 . . . . 0.0 112.66 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.4 t -61.49 -38.52 87.61 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.956 -1.09 . . . . 0.0 112.274 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -80.08 -27.32 39.3 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.067 1.347 . . . . 0.0 114.609 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.33 155.5 39.36 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.767 1.227 . . . . 0.0 113.056 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 46.6 t -71.71 157.49 37.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.094 1.357 . . . . 0.0 113.038 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 169' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' B' ' 132' ' ' ILE . 56.5 tttt -54.22 -43.05 70.49 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.391 1.076 . . . . 0.0 111.944 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -59.96 -41.66 92.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 172.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.62 -40.39 88.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.293 0.637 . . . . 0.0 112.161 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.66 -42.87 99.51 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.79 -42.45 99.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.603 0.638 . . . . 0.0 112.14 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.81 69.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.61 -38.58 87.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.032 0.833 . . . . 0.0 111.878 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.03 91.03 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.995 0.918 . . . . 0.0 112.37 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.22 -50.3 73.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.715 0.806 . . . . 0.0 110.634 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.47 -50.48 73.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.543 0.737 . . . . 0.0 112.747 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.76 -26.17 65.99 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.044 0.838 . . . . 0.0 112.998 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -79.62 -33.09 41.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.224 1.01 . . . . 0.0 112.855 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -68.92 -38.56 79.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.309 1.044 . . . . 0.0 112.601 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.83 -33.46 46.05 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.84 -31.12 64.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.974 1.261 . . . . 0.0 113.292 -174.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.15 -10.76 60.22 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -106.37 1.15 25.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.58 1.152 . . . . 0.0 113.797 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -72.35 157.38 37.78 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.965 -1.085 . . . . 0.0 112.868 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.697 1.618 . . . . 0.0 112.861 177.886 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.524 -0.598 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.26 158.3 58.14 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.235 3.29 . . . . 0.0 112.999 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.59 -156.25 40.56 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.069 0.842 . . . . 0.0 113.599 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.6 m -61.95 149.57 40.25 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.927 1.291 . . . . 0.0 113.776 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -73.75 -20.32 60.53 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 158.62 82.14 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 124.821 1.248 . . . . 0.0 114.166 -174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.99 165.54 18.79 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.193 3.262 . . . . 0.0 113.78 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.81 -31.19 17.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.514 1.126 . . . . 0.0 113.059 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -75.19 -12.06 60.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.469 1.107 . . . . 0.0 113.766 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.7 p -65.51 -24.08 67.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.013 -1.054 . . . . 0.0 112.727 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -68.96 -39.33 79.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.143 -0.973 . . . . 0.0 112.6 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.73 -42.0 91.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.99 0.516 . . . . 0.0 110.62 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -61.5 -39.16 89.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.802 0.841 . . . . 0.0 112.764 174.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -67.39 -50.33 60.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.133 -0.98 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.03 -31.75 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.634 1.174 . . . . 0.0 112.44 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.03 -22.48 60.63 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.083 . . . . 0.0 113.752 171.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.92 -42.91 5.54 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.845 1.212 . . . . 0.0 114.589 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 165.49 25.06 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.65 1.18 . . . . 0.0 113.154 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 177.08 4.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.821 1.248 . . . . 0.0 113.743 -173.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -58.0 -28.98 64.91 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -67.0 -34.75 78.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.078 0.951 . . . . 0.0 112.378 172.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.52 -35.23 53.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.929 1.291 . . . . 0.0 112.076 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.28 -45.21 89.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.34 0.656 . . . . 0.0 110.776 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.9 72.22 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.211 -0.93 . . . . 0.0 113.155 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.09 -17.98 63.93 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.84 -30.5 6.73 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.62 -36.43 62.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.994 1.318 . . . . 0.0 112.261 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.72 -120.88 20.86 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.924 1.25 . . . . 0.0 112.736 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.03 -24.68 66.36 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -87.99 3.74 47.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.779 1.232 . . . . 0.0 113.322 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.18 142.88 58.22 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.308 -0.87 . . . . 0.0 111.796 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp -58.49 149.92 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.944 0.898 . . . . 0.0 113.115 -171.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -103.21 23.42 12.45 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -137.31 154.93 49.97 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.601 1.16 . . . . 0.0 113.524 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.18 175.52 54.91 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 114.197 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.82 158.79 51.36 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.448 1.023 . . . . 0.0 113.965 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 153.78 52.04 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.736 1.16 . . . . 0.0 114.381 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.3 p -74.51 160.59 30.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.621 1.168 . . . . 0.0 113.149 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.61 79.09 1.58 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.732 1.158 . . . . 0.0 112.393 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.63 166.32 49.14 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.578 1.085 . . . . 0.0 115.274 -178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.7 177.61 43.95 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.771 1.177 . . . . 0.0 114.05 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -65.2 134.3 53.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 0.0 112.618 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.24 163.25 11.43 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.456 1.503 . . . . 0.0 113.257 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.53 168.35 22.32 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.735 1.16 . . . . 0.0 114.033 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.47 146.67 40.98 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.151 0.882 . . . . 0.0 113.187 174.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -156.9 152.25 26.53 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.353 1.461 . . . . 0.0 111.878 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.7 mtt -144.17 142.62 30.65 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -92.0 2.03 56.81 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.711 1.204 . . . . 0.0 113.359 171.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.4 145.15 97.15 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.918 1.687 . . . . 0.0 112.358 -175.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.94 146.86 53.99 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.266 2.644 . . . . 0.0 112.419 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.3 p -72.22 147.16 46.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.999 0.92 . . . . 0.0 111.907 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -147.45 3.67 0.77 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -169.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 m -72.44 153.08 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.69 1.196 . . . . 0.0 113.592 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.93 157.69 32.64 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.3 1.04 . . . . 0.0 111.903 168.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.9 -49.27 80.47 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 120.974 -1.079 . . . . 0.0 114.379 -172.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -64.62 -35.49 81.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.162 0.985 . . . . 0.0 111.86 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -70.74 -47.06 61.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.111 1.764 . . . . 0.0 110.876 -176.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -57.99 -51.72 68.51 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.97 -37.28 84.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -76.9 -53.72 7.51 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.737 0.815 . . . . 0.0 112.026 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.24 -36.81 85.29 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.197 -0.939 . . . . 0.0 112.888 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.3 t -62.44 -32.35 73.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.614 0.765 . . . . 0.0 112.65 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -76.02 -47.58 24.26 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.062 -1.024 . . . . 0.0 110.837 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.6 -23.19 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -73.35 -32.79 64.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.006 -1.684 . . . . 0.0 112.873 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -79.09 -37.77 37.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.393 1.477 . . . . 0.0 113.4 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.9 144.6 56.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.54 1.136 . . . . 0.0 112.29 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -71.03 159.41 34.79 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.289 1.435 . . . . 0.0 112.136 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -43.47 -52.96 5.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.003 1.721 . . . . 0.0 112.233 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -67.03 -35.76 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.632 1.173 . . . . 0.0 112.786 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.21 -40.57 86.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.205 1.002 . . . . 0.0 112.097 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.23 -44.22 88.95 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.097 0.959 . . . . 0.0 111.78 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -58.25 -36.9 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.742 0.817 . . . . 0.0 112.301 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.97 -50.24 17.32 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -34.88 78.7 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 120.924 -1.11 . . . . 0.0 112.472 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.05 77.88 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.028 0.931 . . . . 0.0 112.563 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.418 -0.802 . . . . 0.0 110.734 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -55.52 -51.31 67.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.373 1.069 . . . . 0.0 112.982 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.83 -24.37 64.37 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -75.55 -41.63 54.37 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.805 1.242 . . . . 0.0 111.996 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.56 -33.4 74.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.39 1.076 . . . . 0.0 112.468 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -82.37 -29.58 30.83 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.95 -31.39 56.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.905 1.23 . . . . 0.0 113.222 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.75 -9.26 53.83 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -107.01 1.59 24.48 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.865 1.266 . . . . 0.0 114.164 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.46 150.92 44.44 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.119 -0.988 . . . . 0.0 111.531 170.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.422 1.487 . . . . 0.0 112.833 177.438 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -69.67 168.42 21.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.177 3.251 . . . . 0.0 112.964 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.78 42.43 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.223 0.916 . . . . 0.0 113.658 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -153.88 177.25 11.22 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.585 1.554 . . . . 0.0 112.531 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.89 -15.87 63.34 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.87 159.44 0.11 Allowed Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 128.115 2.566 . . . . 0.0 115.317 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.93 162.42 32.38 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 123.589 2.859 . . . . 0.0 113.899 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.4 -19.7 24.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.125 1.37 . . . . 0.0 113.068 171.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -114.92 34.57 4.75 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.033 2.133 . . . . 0.0 112.656 -172.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 80.9 p -59.27 161.13 5.76 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.084 1.354 . . . . 0.0 113.167 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -59.57 -39.22 83.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.004 1.322 . . . . 0.0 112.058 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -35.58 80.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.798 1.239 . . . . 0.0 112.063 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 26.3 t -63.19 -35.03 78.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.805 0.842 . . . . 0.0 112.358 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -72.48 -48.62 39.33 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.154 -0.967 . . . . 0.0 111.784 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.44 -32.02 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.431 1.092 . . . . 0.0 113.017 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -72.63 -20.79 61.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.475 1.11 . . . . 0.0 113.878 172.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.37 -32.5 6.97 Favored Glycine 0 CA--C 1.543 1.823 0 C-N-CA 124.324 0.964 . . . . 0.0 114.918 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.08 179.98 4.7 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.181 1.392 . . . . 0.0 113.819 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.68 175.01 9.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.837 1.255 . . . . 0.0 113.172 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.92 -28.33 67.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -171.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.65 -33.57 76.2 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.185 -0.947 . . . . 0.0 112.443 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -74.89 -36.16 62.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.104 . . . . 0.0 111.833 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.73 -46.55 84.89 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.31 0.644 . . . . 0.0 111.274 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.71 -31.32 71.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.82 -21.37 63.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -28.64 7.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -75.1 -34.36 61.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.64 1.176 . . . . 0.0 111.601 168.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.06 -132.51 42.92 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.921 1.248 . . . . 0.0 113.353 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -65.93 -16.89 64.27 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.046 0.938 . . . . 0.0 113.332 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -96.24 11.53 34.19 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.604 1.562 . . . . 0.0 113.321 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -57.45 153.52 12.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.999 1.32 . . . . 0.0 112.344 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.07 146.7 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.256 1.022 . . . . 0.0 112.566 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -96.81 3.53 52.2 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -73.04 -16.4 61.49 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.818 1.247 . . . . 0.0 113.823 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.57 -140.15 28.81 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.236 0.922 . . . . 0.0 114.162 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.7 -160.32 9.0 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.902 1.239 . . . . 0.0 115.218 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.42 -144.79 17.43 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.314 1.435 . . . . 0.0 112.69 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 73.7 p -66.03 154.14 40.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.353 1.061 . . . . 0.0 113.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -173.77 -177.11 42.73 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.993 1.282 . . . . 0.0 113.302 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 68.54 -159.86 51.86 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.215 0.912 . . . . 0.0 114.196 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.0 -169.71 25.07 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 124.963 1.268 . . . . 0.0 114.316 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t -149.28 131.67 15.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.425 1.09 . . . . 0.0 112.073 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -83.29 -174.3 50.29 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.413 1.483 . . . . 0.0 115.217 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 171.51 179.73 42.74 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.09 1.329 . . . . 0.0 113.335 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.74 140.49 31.74 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 123.719 0.676 . . . . 0.0 112.613 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 29.7 t -71.16 143.32 50.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.005 0.922 . . . . 0.0 112.253 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 42.0 ttm -153.65 148.75 26.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.466 1.506 . . . . 0.0 110.588 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.01 -2.93 29.53 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 mttt 65.79 142.45 0.07 OUTLIER Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 129.854 3.261 . . . . 0.0 114.422 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.56 149.29 49.24 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.009 2.473 . . . . 0.0 113.567 -171.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.6 p -80.05 -9.65 59.71 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.451 1.1 . . . . 0.0 113.738 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 16.1 m -70.24 -9.75 56.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.746 1.618 . . . . 0.0 114.922 -176.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 8.5 t -149.82 168.1 24.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 112.398 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -69.26 129.86 41.0 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.448 1.099 . . . . 0.0 112.481 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.97 87.43 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.954 0.788 . . . . 0.0 113.851 -175.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -62.72 -33.64 75.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.329 1.051 . . . . 0.0 112.394 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -73.21 -53.57 10.6 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.397 1.879 . . . . 0.0 110.287 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.88 -47.39 85.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.829 0.852 . . . . 0.0 112.869 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.59 -49.05 67.63 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.681 -0.637 . . . . 0.0 112.155 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -64.75 -44.53 89.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.807 0.843 . . . . 0.0 112.329 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.23 -34.1 76.74 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.31 -0.869 . . . . 0.0 112.297 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 23.7 t -66.03 -44.3 85.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.326 0.65 . . . . 0.0 111.516 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -56.22 -48.5 76.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.631 1.105 . . . . 0.0 111.165 173.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.43 -23.87 63.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 42.8 t -70.18 -40.24 74.77 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.005 -1.059 . . . . 0.0 111.877 167.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -75.14 -41.59 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.646 1.578 . . . . 0.0 114.86 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.63 156.39 35.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 113.066 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.2 t -70.76 155.89 40.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.965 1.306 . . . . 0.0 112.739 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.41 -37.78 57.45 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.104 1.362 . . . . 0.0 112.307 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -66.55 -40.41 89.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.796 0.838 . . . . 0.0 112.599 174.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.03 -38.87 83.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.016 0.926 . . . . 0.0 112.323 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.73 -41.03 94.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.283 1.433 . . . . 0.0 112.085 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.51 -47.29 84.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.535 0.607 . . . . 0.0 111.335 169.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.43 76.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.28 -38.47 90.36 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.17 0.896 . . . . 0.0 111.233 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.68 92.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.982 0.913 . . . . 0.0 111.738 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -46.5 89.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.218 1.007 . . . . 0.0 111.194 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.58 -47.86 81.97 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.334 -0.854 . . . . 0.0 112.741 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.45 -23.2 62.67 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.518 1.054 . . . . 0.0 113.512 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -73.82 -40.69 63.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.864 1.266 . . . . 0.0 112.187 171.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -69.2 -28.33 66.29 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -86.7 -35.1 19.47 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.43 -20.87 62.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.106 1.321 . . . . 0.0 113.418 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.54 -9.94 59.71 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 174.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -124.17 -32.52 3.2 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 48.48 -155.64 0.08 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 126.917 2.087 . . . . 0.0 114.399 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 C-N-CA 125.544 1.545 . . . . 0.0 112.692 -178.842 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.01 163.73 15.83 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.096 3.198 . . . . 0.0 114.187 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.97 -168.44 54.11 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.133 0.873 . . . . 0.0 114.147 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 56.97 32.07 20.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.657 1.583 . . . . 0.0 114.133 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -67.87 -15.78 63.78 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.128 0.971 . . . . 0.0 113.499 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.97 149.88 0.11 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 128.897 2.879 . . . . 0.0 115.761 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.55 130.61 19.91 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.138 2.558 . . . . 0.0 113.324 -176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -13.63 42.23 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.044 1.337 . . . . 0.0 113.085 167.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -82.89 2.24 35.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.529 1.932 . . . . 0.0 114.415 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.4 p -57.79 117.64 4.47 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.02 1.328 . . . . 0.0 111.789 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -70.19 -30.92 68.15 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 -160.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.59 -35.91 82.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.198 1.363 . . . . 0.0 111.618 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 m -76.23 -39.17 55.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.081 0.953 . . . . 0.0 112.337 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -65.55 -47.54 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.51 0.724 . . . . 0.0 112.678 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.51 -25.2 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.1 1.36 . . . . 0.0 113.086 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.91 -18.89 35.86 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.039 -1.038 . . . . 0.0 113.792 171.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.71 -36.01 8.86 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.926 1.251 . . . . 0.0 114.419 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.7 173.39 9.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.299 1.44 . . . . 0.0 112.999 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 173.54 6.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.27 1.028 . . . . 0.0 113.507 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.21 -28.51 68.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.322 1.049 . . . . 0.0 113.587 -173.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 112.431 173.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -76.54 -36.92 57.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 111.566 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.99 -47.83 84.22 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.065 0.546 . . . . 0.0 110.82 170.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.42 80.42 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.96 92.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.56 -29.03 18.09 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.97 -39.35 56.15 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.613 1.165 . . . . 0.0 112.086 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.93 -126.54 37.02 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 112.904 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.84 -26.16 67.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.438 1.095 . . . . 0.0 113.131 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -80.89 1.08 32.38 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.925 1.29 . . . . 0.0 113.712 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.6 148.82 36.9 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.156 -0.965 . . . . 0.0 111.862 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -62.67 146.2 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.109 0.963 . . . . 0.0 112.844 -171.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -103.79 9.85 36.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.529 1.132 . . . . 0.0 113.562 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.72 7.47 26.62 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.463 1.905 . . . . 0.0 113.588 177.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 29.88 37.77 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 114.361 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.8 -166.18 32.52 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.368 1.461 . . . . 0.0 113.734 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 154.01 52.84 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.463 1.03 . . . . 0.0 115.042 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -81.11 156.08 25.95 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.014 1.326 . . . . 0.0 113.431 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.74 171.92 54.94 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.257 0.932 . . . . 0.0 113.634 169.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.23 140.08 26.89 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.534 1.064 . . . . 0.0 113.723 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.01 150.04 23.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.928 1.251 . . . . 0.0 114.564 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -72.11 -26.69 62.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.442 1.097 . . . . 0.0 113.74 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -7.64 65.6 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 -175.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.25 12.27 13.77 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.295 1.426 . . . . 0.0 115.957 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.93 -1.93 60.4 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.976 1.55 . . . . 0.0 116.976 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.9 t -66.25 147.25 53.6 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.387 1.593 . . . . 0.0 112.731 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 96.4 mtp -69.5 138.22 53.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.284 1.034 . . . . 0.0 112.894 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -80.95 149.63 29.3 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.422 1.089 . . . . 0.0 112.595 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -143.48 154.24 59.84 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.952 2.101 . . . . 0.0 111.244 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -65.73 159.91 46.16 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.343 2.696 . . . . 0.0 113.185 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.7 p -68.19 159.51 30.97 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.023 1.329 . . . . 0.0 113.497 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -145.49 161.76 38.97 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.445 1.498 . . . . 0.0 110.935 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 54.13 -126.29 2.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.54 1.136 . . . . 0.0 111.049 -170.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.73 115.27 7.11 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.244 1.384 . . . . 0.0 111.426 173.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.0 -40.66 42.73 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.064 0.84 . . . . 0.0 113.453 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -62.03 -36.88 82.9 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.049 0.94 . . . . 0.0 112.01 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -67.34 -50.21 60.88 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.791 1.636 . . . . 0.0 111.582 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -61.8 -51.36 68.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.492 0.717 . . . . 0.0 112.478 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -63.43 -48.6 77.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 112.496 -173.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.29 -51.8 58.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.774 . . . . 0.0 111.935 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -37.77 88.63 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.48 -0.762 . . . . 0.0 112.388 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -63.73 -48.22 77.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.542 0.737 . . . . 0.0 112.015 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.49 -38.93 85.11 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.432 -0.793 . . . . 0.0 112.728 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.5 -29.32 69.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.144 0.884 . . . . 0.0 112.686 174.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.0 -23.11 62.12 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -82.03 -38.18 25.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 113.528 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.0 152.85 42.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.752 1.221 . . . . 0.0 113.224 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -70.65 160.79 31.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.144 1.377 . . . . 0.0 113.002 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -55.09 -41.0 71.04 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.931 1.292 . . . . 0.0 111.851 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -65.6 -40.74 93.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.293 0.637 . . . . 0.0 112.631 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.57 -38.38 80.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.164 0.985 . . . . 0.0 112.549 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.7 -40.51 95.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.727 1.211 . . . . 0.0 111.976 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.0 mtm -63.06 -45.2 93.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.971 0.351 . . . . 0.0 111.669 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.45 71.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.19 -36.83 84.1 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.134 -0.979 . . . . 0.0 111.346 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.78 89.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.071 0.949 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.69 -48.32 79.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.559 0.744 . . . . 0.0 110.945 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.24 -46.23 89.79 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.34 -27.54 67.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.344 0.975 . . . . 0.0 113.119 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -73.74 -38.1 64.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.094 0.958 . . . . 0.0 112.765 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -71.65 -34.14 69.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.617 0.767 . . . . 0.0 112.644 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -82.98 -27.33 30.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -75.84 -27.86 58.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.225 1.375 . . . . 0.0 113.571 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.41 -16.92 59.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -94.55 2.32 55.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.441 1.097 . . . . 0.0 113.853 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -67.11 153.05 44.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.016 0.926 . . . . 0.0 112.559 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.826 178.934 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -67.64 -13.25 38.28 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.072 3.182 . . . . 0.0 116.109 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.43 84.7 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.367 0.984 . . . . 0.0 113.71 -170.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 97.4 p -150.26 169.95 20.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.836 2.054 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.88 -32.28 73.5 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.09 141.89 0.05 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.824 2.85 . . . . 0.0 115.35 -172.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.56 149.62 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.195 2.597 . . . . 0.0 112.773 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -117.25 -21.43 8.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.569 1.548 . . . . 0.0 112.823 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -74.38 -8.48 56.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.61 1.164 . . . . 0.0 114.065 -172.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -65.49 -33.7 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.637 1.175 . . . . 0.0 112.894 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -70.37 -43.11 70.81 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.155 -0.965 . . . . 0.0 111.273 174.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.94 -42.87 99.6 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 110.682 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -62.61 -40.04 95.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.066 1.346 . . . . 0.0 112.141 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.01 -46.68 73.76 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.126 -0.984 . . . . 0.0 111.999 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.75 -28.06 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.304 1.042 . . . . 0.0 112.457 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.7 -25.11 44.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.439 -1.413 . . . . 0.0 114.57 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.53 -36.62 29.41 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.228 0.918 . . . . 0.0 114.129 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.01 171.42 15.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.389 1.476 . . . . 0.0 112.895 174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.91 177.04 5.46 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.024 1.33 . . . . 0.0 113.626 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -58.93 -29.25 66.96 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.21 -34.84 78.93 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.369 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.31 -34.64 55.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.28 -48.06 83.16 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.462 0.705 . . . . 0.0 110.409 170.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.44 71.26 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.71 65.12 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.06 -29.71 10.72 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.33 -37.27 68.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.887 1.275 . . . . 0.0 111.743 169.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.93 -129.79 38.66 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.129 0.871 . . . . 0.0 112.502 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -64.34 -19.2 65.3 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.35 7.4 22.56 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.607 1.163 . . . . 0.0 114.007 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.22 155.81 16.73 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.884 -1.135 . . . . 0.0 112.376 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.0 tp -69.77 154.18 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.618 1.167 . . . . 0.0 113.203 -172.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.21 2.46 26.9 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -82.38 149.2 27.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.556 1.142 . . . . 0.0 112.919 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -83.41 -13.42 76.38 Favored Glycine 0 CA--C 1.539 1.532 0 N-CA-C 115.867 1.107 . . . . 0.0 115.867 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 172.45 -168.5 41.57 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 118.371 1.085 . . . . 0.0 113.998 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -176.85 -164.31 30.51 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.433 1.492 . . . . 0.0 113.303 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 8.0 t 57.51 49.65 12.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.281 1.433 . . . . 0.0 113.234 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.2 -15.95 73.09 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.261 1.41 . . . . 0.0 114.193 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 81.4 -171.97 53.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.068 1.318 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 175.35 -132.47 2.17 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.899 0.762 . . . . 0.0 113.064 -174.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 146.89 54.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 113.186 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.13 -159.84 35.92 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.374 1.464 . . . . 0.0 114.055 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.65 7.29 88.61 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.37 151.26 49.55 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 118.637 1.219 . . . . 0.0 113.553 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -157.77 153.66 26.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.941 1.297 . . . . 0.0 111.903 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 28.5 ttt -71.79 133.55 45.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.506 1.123 . . . . 0.0 112.242 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -78.59 156.35 29.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.374 1.07 . . . . 0.0 112.844 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -77.07 149.25 79.58 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 123.715 0.806 . . . . 0.0 110.986 164.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.66 166.58 29.04 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.615 2.877 . . . . 0.0 112.671 172.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.0 t -152.12 149.11 28.44 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.754 1.221 . . . . 0.0 111.609 169.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 60.2 m -79.3 -19.68 49.82 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 26.4 t -78.64 108.65 12.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.599 0.759 . . . . 0.0 111.271 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 48.85 45.3 22.27 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 123.152 1.453 . . . . 0.0 114.338 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -65.34 -19.19 66.21 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 125.788 1.661 . . . . 0.0 113.949 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -59.58 -38.27 80.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.983 1.713 . . . . 0.0 113.353 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -76.75 -39.47 51.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.529 1.132 . . . . 0.0 112.934 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -72.41 -44.57 62.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.711 0.804 . . . . 0.0 112.291 -173.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -66.3 -28.88 69.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.33 1.052 . . . . 0.0 112.559 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -77.51 -52.13 9.57 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.969 1.308 . . . . 0.0 111.864 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.64 -36.96 84.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.942 0.897 . . . . 0.0 112.953 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 89.8 p -70.13 -19.78 63.2 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -77.47 -49.46 14.73 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.855 -1.153 . . . . 0.0 111.157 161.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -30.98 66.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.373 1.069 . . . . 0.0 113.408 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 93.0 p -68.41 -34.35 75.85 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.399 0.999 . . . . 0.0 113.547 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -81.09 -36.62 30.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.76 1.624 . . . . 0.0 113.361 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.38 149.33 50.17 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.698 1.199 . . . . 0.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 45.3 t -72.61 156.46 38.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.986 1.314 . . . . 0.0 111.955 176.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -56.05 -35.89 67.42 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.992 -1.068 . . . . 0.0 112.841 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -62.85 -41.17 99.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.564 0.746 . . . . 0.0 112.053 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.21 -38.29 81.77 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.583 0.753 . . . . 0.0 111.991 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.58 -43.58 98.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.771 0.714 . . . . 0.0 112.25 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.23 -41.72 97.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.331 0.514 . . . . 0.0 111.463 173.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.83 -56.76 10.23 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.06 -37.28 82.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.181 0.901 . . . . 0.0 112.265 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.15 93.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.053 0.941 . . . . 0.0 112.213 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -42.22 75.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.405 -0.81 . . . . 0.0 110.756 175.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -57.36 -53.17 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.377 -0.827 . . . . 0.0 112.363 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.99 -27.88 66.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -74.17 -38.0 63.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.686 1.194 . . . . 0.0 112.351 174.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.76 -41.86 67.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.132 0.973 . . . . 0.0 112.061 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -75.97 -26.44 56.8 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -76.9 -32.23 57.29 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.055 1.298 . . . . 0.0 113.401 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.3 pp -78.46 -14.0 59.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -94.54 0.24 55.11 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.816 1.246 . . . . 0.0 113.648 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.54 153.69 43.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.39 1.076 . . . . 0.0 112.396 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 C-N-CA 125.332 1.444 . . . . 0.0 113.397 179.349 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 119.702 -0.499 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.28 145.69 78.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.909 3.072 . . . . 0.0 112.79 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.54 155.79 41.97 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.644 1.116 . . . . 0.0 113.995 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -70.83 148.7 47.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.67 1.188 . . . . 0.0 112.424 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -72.54 -26.25 61.68 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.93 150.35 0.09 OUTLIER Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 127.996 2.519 . . . . 0.0 115.481 -173.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.51 111.84 3.39 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.766 2.311 . . . . 0.0 112.133 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.43 -15.13 60.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.637 1.175 . . . . 0.0 112.801 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -75.08 -3.92 35.47 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.235 1.814 . . . . 0.0 113.706 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.5 t -128.29 132.67 48.67 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.019 1.327 . . . . 0.0 112.14 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -70.46 -21.52 62.78 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.818 1.247 . . . . 0.0 113.12 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.14 -55.96 13.8 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.314 0.961 . . . . 0.0 110.831 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.3 m -65.35 -28.78 69.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.764 0.826 . . . . 0.0 112.836 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -64.7 -53.33 48.92 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.091 0.956 . . . . 0.0 111.621 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -70.15 -29.56 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.918 1.287 . . . . 0.0 112.986 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -25.04 61.49 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.804 -1.185 . . . . 0.0 113.341 172.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.76 -35.92 27.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.977 0.798 . . . . 0.0 114.64 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.56 176.23 9.97 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.72 1.608 . . . . 0.0 112.99 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.56 178.53 6.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.04 1.336 . . . . 0.0 113.295 -177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -59.46 -28.94 67.44 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.01 -35.04 79.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.26 -0.9 . . . . 0.0 112.557 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.11 -38.64 51.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.542 1.137 . . . . 0.0 111.804 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.67 -45.47 94.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.226 0.61 . . . . 0.0 110.95 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 -33.58 75.79 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.84 78.91 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.491 -0.756 . . . . 0.0 112.914 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -29.45 25.83 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -79.51 -40.33 29.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.089 0.955 . . . . 0.0 112.0 169.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.0 -117.05 9.74 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.483 1.04 . . . . 0.0 113.38 174.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -35.93 60.8 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.486 1.514 . . . . 0.0 112.75 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -92.5 12.33 23.28 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.865 1.266 . . . . 0.0 114.333 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.92 147.97 48.8 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.678 -1.263 . . . . 0.0 112.182 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -75.33 151.01 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.554 1.142 . . . . 0.0 113.311 -171.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.67 48.16 2.2 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 112.11 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 167.25 24.94 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.037 1.335 . . . . 0.0 113.113 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.37 174.92 49.67 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.731 1.157 . . . . 0.0 115.001 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.85 -178.07 43.55 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.029 1.299 . . . . 0.0 113.15 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.61 135.74 29.08 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.235 0.922 . . . . 0.0 112.83 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -146.53 4.49 0.9 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -173.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.97 -159.68 53.33 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.165 0.888 . . . . 0.0 113.68 -175.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.89 13.98 78.66 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.518 1.056 . . . . 0.0 115.553 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.47 126.07 41.16 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.827 1.203 . . . . 0.0 112.147 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 m 56.65 15.68 2.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.018 1.727 . . . . 0.0 115.023 -172.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.38 145.69 44.59 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.516 1.055 . . . . 0.0 113.392 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.81 -9.34 69.04 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.157 1.36 . . . . 0.0 115.163 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.59 -150.35 47.78 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 118.81 1.305 . . . . 0.0 114.546 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -153.46 153.78 33.13 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.428 1.491 . . . . 0.0 111.607 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.3 ttp -138.92 39.98 2.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.691 1.596 . . . . 0.0 110.753 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -63.55 151.14 42.27 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.269 1.427 . . . . 0.0 113.139 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -141.91 152.73 62.95 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 126.863 2.065 . . . . 0.0 111.264 -173.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -63.72 145.64 91.28 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.495 2.797 . . . . 0.0 112.807 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -76.39 148.71 37.19 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.204 1.402 . . . . 0.0 112.739 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -78.6 -35.89 45.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.136 0.974 . . . . 0.0 112.464 170.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -155.93 152.35 28.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.841 1.657 . . . . 0.0 110.928 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 55.78 -168.8 0.09 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.155 1.782 . . . . 0.0 113.672 -171.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.75 -25.13 0.1 OUTLIER Glycine 0 CA--C 1.537 1.413 0 O-C-N 120.729 -1.232 . . . . 0.0 114.823 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -59.21 -36.65 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 0.0 113.305 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -66.86 -48.87 67.48 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.796 1.239 . . . . 0.0 112.934 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.5 -29.91 46.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.517 0.727 . . . . 0.0 112.175 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -62.87 -46.86 85.88 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.495 1.043 . . . . 0.0 112.325 173.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -63.4 -47.44 81.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.581 0.753 . . . . 0.0 111.596 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.65 -34.05 75.04 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.67 0.788 . . . . 0.0 112.885 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.4 t -66.18 -27.92 68.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.426 1.49 . . . . 0.0 114.087 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -77.71 -47.3 19.46 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.676 -1.265 . . . . 0.0 110.864 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.45 -39.38 67.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.107 1.363 . . . . 0.0 113.048 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.4 p -69.46 -27.41 65.21 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -83.95 -39.07 20.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.227 1.411 . . . . 0.0 113.575 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.87 149.6 49.22 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.359 1.064 . . . . 0.0 112.756 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.5 t -68.57 160.06 30.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.878 1.271 . . . . 0.0 112.18 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -58.33 -38.14 76.54 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.944 -1.097 . . . . 0.0 112.432 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -60.21 -42.06 94.35 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.25 -0.906 . . . . 0.0 112.497 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.13 -42.2 80.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.794 0.837 . . . . 0.0 112.049 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.02 -44.3 91.71 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.627 1.171 . . . . 0.0 111.54 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.2 mtm -61.78 -45.99 91.49 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.5 84.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.75 -40.14 79.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.013 0.824 . . . . 0.0 111.397 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.31 86.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.428 1.091 . . . . 0.0 112.172 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.18 -44.3 88.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.978 0.808 . . . . 0.0 111.053 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.34 -44.34 97.35 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.946 0.898 . . . . 0.0 113.121 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.26 -23.82 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.57 -37.61 65.47 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.672 1.189 . . . . 0.0 111.707 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.11 -38.19 90.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.044 1.338 . . . . 0.0 112.462 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -85.96 -22.84 27.16 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.1 -32.55 33.81 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.156 1.343 . . . . 0.0 112.659 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.58 -15.84 63.66 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -94.44 -5.39 46.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.697 1.199 . . . . 0.0 114.187 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -76.5 154.99 34.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.834 0.854 . . . . 0.0 112.553 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.369 0 C-N-CA 125.243 1.401 . . . . 0.0 114.061 179.166 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -63.68 -28.32 69.0 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.901 3.067 . . . . 0.0 115.204 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.11 -12.33 12.69 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 125.431 1.491 . . . . 0.0 115.512 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 44.1 p -74.93 136.86 41.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.324 1.45 . . . . 0.0 112.17 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -84.62 -21.46 30.3 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.86 150.18 0.1 OUTLIER Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 127.442 2.297 . . . . 0.0 114.646 -168.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 151.74 69.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.752 2.302 . . . . 0.0 112.899 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 pp -142.0 -16.16 0.77 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.422 1.489 . . . . 0.0 113.398 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -111.65 13.13 21.2 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.744 2.018 . . . . 0.0 112.639 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 13.4 t -65.63 157.35 30.16 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.775 1.23 . . . . 0.0 112.494 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -61.32 -33.83 74.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.341 1.056 . . . . 0.0 112.897 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.22 -40.47 90.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.451 1.101 . . . . 0.0 111.427 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.8 m -65.89 -33.07 75.0 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.985 0.914 . . . . 0.0 112.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -76.24 -44.9 35.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.348 0.522 . . . . 0.0 111.991 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.409 HD13 HD21 ' B' ' 118' ' ' LEU . 25.7 mm -63.52 -31.99 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.358 1.063 . . . . 0.0 112.962 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -69.74 -29.18 66.48 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.21 -35.12 11.25 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.524 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.409 HD21 HD13 ' B' ' 115' ' ' ILE . 2.5 pp -75.74 178.59 6.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.828 1.251 . . . . 0.0 113.844 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 175.86 8.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.767 1.227 . . . . 0.0 113.145 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -59.19 -29.26 67.34 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -64.86 -33.76 76.77 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 174.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -77.18 -33.47 56.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.632 1.173 . . . . 0.0 111.996 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.06 -49.19 73.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.092 0.557 . . . . 0.0 110.87 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.42 68.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.39 63.76 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.4 -26.96 8.47 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.22 -35.82 58.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.353 1.061 . . . . 0.0 111.831 170.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.18 -129.05 45.42 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.846 0.736 . . . . 0.0 112.439 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.46 -24.61 65.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.674 1.19 . . . . 0.0 113.466 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -84.31 1.85 43.0 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.809 1.244 . . . . 0.0 114.195 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.75 146.06 53.34 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.086 -1.009 . . . . 0.0 111.932 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 tp -62.62 149.64 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.123 0.969 . . . . 0.0 112.571 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.16 5.87 42.65 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.7 31.98 1.64 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.384 1.474 . . . . 0.0 113.658 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -58.9 120.38 22.3 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.005 1.288 . . . . 0.0 112.389 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.12 -6.16 37.26 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.021 1.295 . . . . 0.0 115.438 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -101.97 -17.83 19.53 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.186 1.374 . . . . 0.0 114.682 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 31.0 t -64.82 139.85 58.81 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.813 1.245 . . . . 0.0 113.163 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -85.27 166.59 40.44 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.989 1.28 . . . . 0.0 114.769 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.89 -172.69 46.03 Favored Glycine 0 N--CA 1.477 1.386 0 C-N-CA 124.943 1.259 . . . . 0.0 114.513 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -179.49 117.66 0.57 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.275 0.941 . . . . 0.0 113.456 177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 12.8 t -81.16 137.91 35.9 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.898 1.279 . . . . 0.0 112.304 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.71 152.78 26.54 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.878 0.751 . . . . 0.0 113.612 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.13 152.76 21.81 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.889 0.757 . . . . 0.0 113.101 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 149.71 -52.85 0.52 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.086 1.326 . . . . 0.0 113.128 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 36.0 t -160.34 148.66 16.68 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.95 1.7 . . . . 0.0 110.935 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 88.5 mtp -144.77 148.71 34.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.876 1.67 . . . . 0.0 111.283 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -83.33 -4.24 58.27 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.04 149.24 96.29 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.321 1.448 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.23 154.76 72.92 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.058 2.506 . . . . 0.0 112.817 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 13.0 t -154.49 165.34 36.74 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.171 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 89.1 p -69.67 161.96 28.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.655 1.182 . . . . 0.0 113.116 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -24.59 63.39 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -68.91 123.92 22.31 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.885 -1.135 . . . . 0.0 112.211 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.67 -34.64 18.64 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.769 0.7 . . . . 0.0 114.415 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -64.24 -42.13 96.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.165 0.983 . . . . 0.0 112.206 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -70.63 -41.55 72.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.98 0.912 . . . . 0.0 112.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.39 -43.54 85.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.237 0.615 . . . . 0.0 112.003 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.89 -51.74 63.15 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.237 1.015 . . . . 0.0 112.443 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.58 -47.47 69.68 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.377 0.671 . . . . 0.0 111.895 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -66.47 -36.51 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.166 -0.959 . . . . 0.0 112.39 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 37.8 t -66.96 -41.08 87.51 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.628 0.649 . . . . 0.0 112.081 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.506 -0.746 . . . . 0.0 111.484 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.94 -25.0 66.13 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 43.4 t -68.59 -35.56 77.53 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.833 -1.167 . . . . 0.0 112.424 171.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -70.85 -43.53 68.28 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.778 1.231 . . . . 0.0 113.336 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.09 154.64 40.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.194 1.397 . . . . 0.0 112.739 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 55.1 p -74.6 164.93 26.01 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.891 -1.13 . . . . 0.0 112.783 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -54.07 -43.47 70.3 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.019 -1.05 . . . . 0.0 111.827 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.12 -40.98 99.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.971 0.909 . . . . 0.0 112.151 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.99 -41.24 95.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.557 0.743 . . . . 0.0 112.408 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.3 -41.53 97.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.347 1.059 . . . . 0.0 112.296 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.1 mtm -62.61 -40.88 98.37 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.422 0.556 . . . . 0.0 112.04 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.19 61.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.86 -38.62 91.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.014 0.824 . . . . 0.0 111.643 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.72 82.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.898 0.879 . . . . 0.0 112.384 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.51 -48.22 80.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.129 0.972 . . . . 0.0 110.936 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -55.97 -52.3 64.64 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.839 1.255 . . . . 0.0 113.075 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.34 -23.67 63.8 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -76.78 -40.29 48.68 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.644 1.111 . . . . 0.0 113.001 168.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.55 -36.96 84.28 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.755 0.822 . . . . 0.0 112.086 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -82.23 -28.6 31.84 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -78.67 -29.86 45.89 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.491 1.496 . . . . 0.0 113.526 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.59 -19.38 61.49 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -95.93 -17.01 21.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -97.92 156.78 16.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 C-N-CA 125.593 1.568 . . . . 0.0 112.846 177.934 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.47 -9.83 18.78 Favored 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 124.075 3.183 . . . . 0.0 114.462 -175.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.69 -41.14 2.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.742 1.639 . . . . 0.0 113.756 -176.179 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.2 p -156.54 164.74 37.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.791 1.636 . . . . 0.0 111.257 170.184 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -74.53 -17.06 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.92 150.46 97.82 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.907 1.283 . . . . 0.0 113.41 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.41 60.38 6.42 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.742 3.628 . . . . 0.0 111.65 173.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.88 -13.69 47.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -115.32 5.06 14.55 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.194 1.398 . . . . 0.0 113.76 -177.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -70.7 146.29 50.0 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.557 -1.339 . . . . 0.0 113.822 -178.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -65.57 -30.79 71.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.555 1.142 . . . . 0.0 112.868 175.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.71 -35.43 76.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.267 1.027 . . . . 0.0 111.8 -177.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 t -64.91 -38.92 92.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.046 0.938 . . . . 0.0 112.137 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.28 -48.42 61.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.594 -0.691 . . . . 0.0 111.643 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -63.96 -31.79 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.131 1.372 . . . . 0.0 113.225 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -78.69 -20.79 49.32 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.67 -36.45 9.4 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.432 1.015 . . . . 0.0 114.479 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.15 174.86 7.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.183 1.393 . . . . 0.0 113.1 176.144 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.57 175.72 7.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.218 1.407 . . . . 0.0 113.609 -178.125 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -60.88 -27.11 67.9 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -65.32 -31.82 73.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.903 0.881 . . . . 0.0 113.086 170.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -79.34 -36.41 39.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.289 1.036 . . . . 0.0 111.326 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.23 -47.78 78.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.634 0.773 . . . . 0.0 111.085 174.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.86 71.6 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.145 -0.972 . . . . 0.0 112.957 176.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.98 -19.33 63.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.44 -28.03 8.74 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.53 1.059 . . . . 0.0 113.744 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.57 -39.67 64.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.89 1.276 . . . . 0.0 112.097 171.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.82 -124.83 36.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.661 1.124 . . . . 0.0 112.527 172.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.12 -32.51 69.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.775 1.23 . . . . 0.0 113.496 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.2 6.2 30.61 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.19 157.81 1.76 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.707 1.603 . . . . 0.0 114.418 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tp -62.44 142.43 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.057 -1.027 . . . . 0.0 112.749 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -101.16 53.54 0.84 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.762 1.625 . . . . 0.0 109.893 170.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 63.65 160.09 0.09 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.373 2.669 . . . . 0.0 115.45 -176.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.3 174.45 41.11 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.646 1.117 . . . . 0.0 114.008 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.65 -168.28 39.78 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.115 1.34 . . . . 0.0 116.178 174.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.26 44.3 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.483 1.516 . . . . 0.0 113.33 -177.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 t 57.92 -165.06 0.17 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.747 1.619 . . . . 0.0 113.95 -178.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.94 -15.46 80.99 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.961 1.267 . . . . 0.0 115.773 -176.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.33 115.62 0.58 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.641 1.591 . . . . 0.0 112.125 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.77 -6.08 14.21 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 124.952 1.263 . . . . 0.0 114.768 -172.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p -74.74 -6.64 50.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.745 2.018 . . . . 0.0 114.827 -178.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.59 -9.8 74.69 Favored Glycine 0 CA--C 1.543 1.837 0 C-N-CA 124.508 1.052 . . . . 0.0 115.426 176.061 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.54 158.56 26.67 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.179 1.371 . . . . 0.0 116.352 168.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.86 178.52 42.22 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.262 1.887 . . . . 0.0 112.728 -177.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.8 p -123.64 -7.67 7.98 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -177.483 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 75.6 mtp 59.61 -27.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.46 3.104 . . . . 0.0 118.314 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -74.17 139.23 44.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.584 1.554 . . . . 0.0 112.016 -175.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -135.13 145.29 53.63 Favored Pre-proline 0 N--CA 1.482 1.133 0 C-N-CA 125.159 1.384 . . . . 0.0 112.099 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.86 151.87 73.89 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.431 2.754 . . . . 0.0 111.853 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.6 p 59.24 4.59 0.48 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.663 2.385 . . . . 0.0 117.312 175.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -67.34 141.39 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.032 -1.042 . . . . 0.0 112.493 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -159.29 -36.85 0.06 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -65.8 -32.63 74.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.24 1.016 . . . . 0.0 113.544 -174.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.98 -47.54 3.84 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 126.533 2.016 . . . . 0.0 114.698 168.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -61.51 -38.26 86.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.052 0.926 . . . . 0.0 112.596 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.91 -39.64 83.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.157 1.383 . . . . 0.0 112.772 177.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.29 -44.68 78.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 111.301 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.83 -45.6 88.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.011 0.925 . . . . 0.0 112.563 176.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.71 -50.77 71.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.962 0.905 . . . . 0.0 111.488 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.64 -39.65 85.06 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.858 0.863 . . . . 0.0 112.267 176.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.2 m -66.86 -26.69 67.02 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -78.94 -50.55 10.99 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.238 0.926 . . . . 0.0 111.184 170.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.45 -27.82 67.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -67.87 -41.23 83.15 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.861 1.21 . . . . 0.0 113.323 173.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -81.01 -28.41 35.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.12 145.87 49.45 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.964 0.802 . . . . 0.0 112.114 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.8 t -64.79 152.87 41.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 176.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -57.14 -31.55 65.46 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.943 -1.098 . . . . 0.0 111.991 173.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.91 -42.66 97.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.741 0.816 . . . . 0.0 112.267 172.189 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.89 -36.73 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.858 0.863 . . . . 0.0 112.163 173.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.56 -43.76 98.01 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.203 0.911 . . . . 0.0 112.793 173.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 50.7 mtm -59.3 -43.97 92.58 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.507 0.594 . . . . 0.0 111.7 172.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.02 63.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.34 -42.39 98.93 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.545 1.066 . . . . 0.0 111.818 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.81 89.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.675 0.79 . . . . 0.0 111.245 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.02 -51.64 63.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.241 1.016 . . . . 0.0 111.159 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -56.34 -52.25 65.24 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.865 0.757 . . . . 0.0 112.714 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.06 -24.46 65.07 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -77.74 -45.08 25.73 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.811 0.844 . . . . 0.0 112.233 168.002 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -64.64 -34.59 78.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.922 0.889 . . . . 0.0 112.358 -175.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -78.07 -31.12 50.04 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 174.734 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -76.65 -32.64 58.11 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.772 1.624 . . . . 0.0 112.997 -175.108 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.36 -12.19 61.3 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -103.66 4.08 35.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.152 1.381 . . . . 0.0 114.027 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -78.32 -1.56 33.81 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 C-N-CA 126.951 2.215 . . . . 0.0 113.063 -179.173 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.11 151.13 72.78 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.565 2.844 . . . . 0.0 112.943 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.32 147.34 35.78 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.2 0.905 . . . . 0.0 113.097 174.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 95.8 p -76.55 151.52 36.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.943 0.897 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.25 -18.65 38.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.687 1.195 . . . . 0.0 114.159 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.71 145.31 0.08 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 128.592 2.757 . . . . 0.0 115.248 -170.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.71 88.53 1.41 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.744 2.963 . . . . 0.0 111.715 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.45 -18.7 58.66 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -108.53 -2.66 18.73 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -171.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -71.42 144.75 49.67 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.115 -0.991 . . . . 0.0 113.59 -175.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -55.83 -29.14 59.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.015 1.326 . . . . 0.0 113.005 170.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -29.37 70.09 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.219 -0.926 . . . . 0.0 112.486 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 -38.84 27.7 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.804 1.242 . . . . 0.0 112.06 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.93 -42.73 99.44 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.137 0.975 . . . . 0.0 111.979 176.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.6 mm -66.77 -24.82 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 124.755 1.222 . . . . 0.0 113.543 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.04 -25.04 34.97 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 167.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.84 -32.35 45.64 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.264 -0.898 . . . . 0.0 114.708 -178.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.68 -178.94 4.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.973 1.709 . . . . 0.0 113.544 175.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 173.28 11.07 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.003 1.321 . . . . 0.0 113.388 176.579 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -59.53 -28.2 66.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.68 -31.39 72.03 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.35 -35.68 63.6 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.385 1.074 . . . . 0.0 112.031 173.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.52 -46.07 81.05 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.741 0.816 . . . . 0.0 110.694 172.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.86 70.28 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.24 -0.913 . . . . 0.0 112.866 175.204 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.21 -17.12 63.75 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 177.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.81 -28.56 6.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.627 1.171 . . . . 0.0 114.132 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.47 -38.94 65.26 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.51 1.124 . . . . 0.0 111.429 169.638 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.16 35.05 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.444 1.021 . . . . 0.0 113.244 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -61.88 -21.83 65.03 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.92 6.25 42.84 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.283 1.833 . . . . 0.0 113.069 177.606 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.99 147.0 40.54 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.161 -0.962 . . . . 0.0 112.093 173.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.424 HG13 ' H ' ' B' ' 135' ' ' GLY . 6.6 tp -63.11 157.2 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -168.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 56.8 mmt-85 -118.01 54.46 0.92 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.011 2.124 . . . . 0.0 111.631 174.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.04 26.42 16.37 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.188 1.795 . . . . 0.0 114.621 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 135' ' ' GLY . . . . . 0.424 ' H ' HG13 ' B' ' 132' ' ' ILE . . . -80.29 0.42 84.37 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 126.495 1.998 . . . . 0.0 116.193 -178.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -73.35 172.66 49.98 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-N 119.065 1.433 . . . . 0.0 115.206 -176.532 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -166.48 154.13 24.42 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.172 0.892 . . . . 0.0 113.988 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 34.5 t -75.64 148.75 38.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.758 1.223 . . . . 0.0 111.682 174.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.83 -178.55 34.91 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.154 -0.966 . . . . 0.0 114.426 -177.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.05 32.89 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.246 0.927 . . . . 0.0 113.372 -175.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -57.91 130.27 50.76 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.825 1.202 . . . . 0.0 114.061 -175.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 15.8 m -65.62 -23.99 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.047 1.339 . . . . 0.0 114.492 -171.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.98 28.91 0.91 Allowed Glycine 0 CA--C 1.537 1.445 0 C-N-CA 125.737 1.636 . . . . 0.0 113.435 179.502 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -67.86 152.5 52.58 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.697 1.141 . . . . 0.0 114.328 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.49 170.76 40.99 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.113 1.34 . . . . 0.0 112.628 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 70.7 m -71.59 141.83 50.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.661 0.784 . . . . 0.0 112.794 179.572 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.1 165.16 24.87 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.057 1.343 . . . . 0.0 112.014 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -73.59 -7.4 51.77 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 170.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.24 161.31 79.06 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 126.784 2.034 . . . . 0.0 112.435 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -57.15 154.66 32.74 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.296 2.664 . . . . 0.0 114.669 175.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 7.5 t -68.97 167.11 16.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.078 1.351 . . . . 0.0 113.091 176.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -141.7 139.46 32.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.588 1.555 . . . . 0.0 112.026 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.7 t -65.75 -25.07 67.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.945 1.298 . . . . 0.0 113.103 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -69.69 -11.0 60.51 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -178.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.46 -0.7 18.41 Favored Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.845 1.688 . . . . 0.0 116.659 -174.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -55.51 -36.45 66.72 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.481 1.64 . . . . 0.0 112.408 175.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.27 -36.81 74.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.05 0.94 . . . . 0.0 113.124 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.34 -42.67 74.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.998 0.919 . . . . 0.0 111.209 177.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -65.17 -40.57 94.49 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.89 -52.05 47.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.56 1.144 . . . . 0.0 111.594 177.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.87 -37.01 82.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.54 0.736 . . . . 0.0 112.746 176.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.3 t -58.0 -43.86 86.88 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.05 0.94 . . . . 0.0 111.931 176.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -72.0 -47.03 54.88 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.106 -0.996 . . . . 0.0 111.839 176.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.03 -37.57 83.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.766 0.827 . . . . 0.0 112.718 -178.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 98.8 p -66.54 -29.45 69.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -91.31 -30.88 16.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.473 1.509 . . . . 0.0 114.222 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.17 157.72 24.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.81 1.244 . . . . 0.0 112.807 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 153.82 42.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.994 0.918 . . . . 0.0 112.528 177.21 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -54.46 -36.8 64.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.23 1.412 . . . . 0.0 111.949 167.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -68.09 -43.73 77.85 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.63 -0.669 . . . . 0.0 112.265 174.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.67 -37.09 86.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.287 1.035 . . . . 0.0 112.352 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.34 -43.05 96.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.653 1.181 . . . . 0.0 113.026 175.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.3 -46.45 88.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.857 1.208 . . . . 0.0 111.534 172.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.69 -44.16 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.56 -40.68 96.01 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.088 0.858 . . . . 0.0 111.059 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.33 88.49 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.501 178.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.71 -47.37 84.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.525 0.73 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.47 -49.72 76.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.655 0.782 . . . . 0.0 112.665 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.96 -23.19 60.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -76.76 -34.95 58.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.974 0.91 . . . . 0.0 112.099 172.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -69.32 -35.88 76.4 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.779 0.831 . . . . 0.0 113.063 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -79.67 -36.8 37.16 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.76 -32.21 72.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.77 1.168 . . . . 0.0 113.236 -174.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.3 -9.19 58.36 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -112.24 -3.67 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.77 1.228 . . . . 0.0 114.273 177.371 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -75.45 153.24 37.72 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.22 0.918 . . . . 0.0 112.541 172.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.49 -1.172 . . . . 0.0 112.716 178.336 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 CA-C-O 119.625 -0.542 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.4 160.57 49.08 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 124.039 3.159 . . . . 0.0 113.156 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.29 169.88 50.93 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.343 0.973 . . . . 0.0 114.09 172.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -153.56 149.57 27.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.173 1.389 . . . . 0.0 112.304 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -72.58 -12.39 61.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.096 1.358 . . . . 0.0 113.49 171.63 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.68 146.24 0.09 OUTLIER Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.97 2.508 . . . . 0.0 112.992 -161.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.81 117.46 5.16 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.67 2.247 . . . . 0.0 113.252 -168.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.48 -18.76 58.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.575 1.15 . . . . 0.0 112.414 164.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -68.44 -13.94 62.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.313 1.445 . . . . 0.0 113.975 -171.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.0 p -58.22 -40.26 81.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.083 0.953 . . . . 0.0 113.141 -177.073 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -76.56 -36.01 57.88 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.673 0.789 . . . . 0.0 112.83 176.13 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.36 -43.25 98.19 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.113 175.137 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -63.46 -31.79 73.04 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.275 1.03 . . . . 0.0 112.997 175.453 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.64 -47.46 69.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.041 -1.037 . . . . 0.0 111.538 173.121 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -66.35 -32.48 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.878 1.271 . . . . 0.0 112.777 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.33 -25.27 61.49 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.975 -1.078 . . . . 0.0 113.176 171.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.3 -37.46 8.98 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.806 1.193 . . . . 0.0 115.49 -176.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.69 169.95 13.35 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.349 175.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 172.7 7.01 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.668 1.187 . . . . 0.0 113.835 -177.427 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -62.65 -24.21 67.5 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -177.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.49 -32.74 74.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.942 0.792 . . . . 0.0 112.63 169.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.53 -38.84 54.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.094 0.958 . . . . 0.0 111.207 174.086 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.31 -46.33 89.23 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 111.428 174.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.93 74.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.373 -0.829 . . . . 0.0 113.08 176.047 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -35.45 79.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 176.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.29 -27.91 16.53 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -177.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.99 -40.27 39.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.65 1.18 . . . . 0.0 112.527 171.241 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 -122.59 30.37 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.167 0.889 . . . . 0.0 112.876 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -60.24 -30.53 69.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -83.86 3.87 31.89 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.744 1.218 . . . . 0.0 113.077 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -57.68 147.28 28.09 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.783 0.833 . . . . 0.0 113.206 177.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tp -63.37 154.73 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.56 1.144 . . . . 0.0 112.988 -173.571 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.31 -6.58 44.07 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -174.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.52 -18.06 61.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.89 1.276 . . . . 0.0 113.67 171.387 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 -178.56 48.47 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.925 1.25 . . . . 0.0 114.136 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.34 160.66 54.13 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.18 0.895 . . . . 0.0 113.656 174.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.07 173.56 45.67 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.784 -0.833 . . . . 0.0 114.346 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -146.06 19.13 1.42 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.223 1.409 . . . . 0.0 113.772 -174.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.01 157.82 45.84 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.698 1.142 . . . . 0.0 114.483 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.07 -167.08 36.04 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.955 1.264 . . . . 0.0 113.508 -177.004 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.13 -169.66 37.22 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.548 1.07 . . . . 0.0 114.033 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -151.68 145.19 24.87 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.824 1.249 . . . . 0.0 112.266 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.25 166.25 28.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.007 1.289 . . . . 0.0 113.538 179.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.68 -179.4 49.64 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.455 1.026 . . . . 0.0 114.284 175.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.01 164.32 35.61 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.54 1.067 . . . . 0.0 113.788 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -71.04 146.82 49.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 112.536 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.4 ttt -151.2 150.4 30.56 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.447 1.499 . . . . 0.0 111.504 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -130.29 164.29 24.93 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.021 1.728 . . . . 0.0 111.571 174.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -67.97 145.37 97.77 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 124.206 1.002 . . . . 0.0 112.305 -175.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -66.81 158.93 53.9 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.484 2.789 . . . . 0.0 112.457 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -134.57 153.86 51.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.701 1.601 . . . . 0.0 111.78 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 t -65.17 120.85 13.47 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.682 0.793 . . . . 0.0 111.281 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -163.52 171.8 15.34 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.787 1.635 . . . . 0.0 111.424 -176.663 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -71.64 -18.33 62.2 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.76 0.824 . . . . 0.0 112.916 174.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.71 -32.96 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 127.003 2.239 . . . . 0.0 116.396 167.008 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -60.28 -45.14 94.36 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.509 1.155 . . . . 0.0 112.962 -168.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -36.77 85.41 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.191 0.996 . . . . 0.0 113.243 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -73.11 -48.22 37.55 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.238 1.015 . . . . 0.0 111.651 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.12 -46.43 90.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.754 0.822 . . . . 0.0 111.436 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.14 -56.13 24.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.262 1.025 . . . . 0.0 111.557 -179.536 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.4 -39.03 85.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.667 0.667 . . . . 0.0 112.559 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.1 m -64.67 -47.46 78.34 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.784 -0.573 . . . . 0.0 112.268 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -70.41 -41.02 73.51 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.284 0.947 . . . . 0.0 113.027 178.04 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.47 -30.9 65.43 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.735 1.152 . . . . 0.0 112.246 178.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -66.63 -33.35 75.47 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.368 -0.832 . . . . 0.0 113.143 174.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.12 -23.86 21.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.884 1.274 . . . . 0.0 113.712 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.3 153.16 35.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.826 0.851 . . . . 0.0 111.374 171.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -66.79 153.83 42.36 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.486 1.115 . . . . 0.0 112.417 175.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.84 -34.11 39.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.685 1.594 . . . . 0.0 111.96 166.339 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -70.07 -44.28 69.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.742 1.217 . . . . 0.0 112.738 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.97 -35.96 81.13 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.201 1.0 . . . . 0.0 112.515 176.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.68 -45.91 90.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.967 0.907 . . . . 0.0 112.02 174.109 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.0 mtm -60.06 -44.27 94.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 171.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.96 76.14 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -35.84 78.67 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.367 -0.833 . . . . 0.0 111.943 178.32 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.0 89.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.706 0.802 . . . . 0.0 112.292 174.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.96 -40.7 97.01 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.308 -0.87 . . . . 0.0 111.052 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -56.53 -53.15 60.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.145 0.978 . . . . 0.0 112.832 172.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.34 -22.84 62.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.58 -36.66 63.05 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.849 1.26 . . . . 0.0 112.477 171.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.8 -32.69 72.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.459 1.104 . . . . 0.0 113.044 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -87.55 -31.94 19.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.06 -23.72 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.687 -1.258 . . . . 0.0 113.619 -176.165 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 pp -80.48 -16.09 55.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.805 1.242 . . . . 0.0 114.132 176.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -82.46 -45.04 15.26 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.511 0.724 . . . . 0.0 111.165 179.628 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.68 152.84 44.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.658 1.183 . . . . 0.0 112.595 178.632 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 C-N-CA 125.444 1.497 . . . . 0.0 113.934 179.622 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.44 -32.1 16.35 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.18 2.586 . . . . 0.0 113.25 -178.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.01 155.39 24.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.032 1.301 . . . . 0.0 113.123 171.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 36.1 m -80.24 52.27 1.55 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.748 1.619 . . . . 0.0 113.196 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 59.72 151.25 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 127.864 2.466 . . . . 0.0 114.337 -169.545 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.55 145.49 76.57 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.738 2.292 . . . . 0.0 112.398 175.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -150.76 -24.26 0.22 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.391 1.476 . . . . 0.0 113.123 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -92.15 -0.29 57.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.164 1.786 . . . . 0.0 113.211 173.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 22.6 p -64.59 129.88 41.52 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.32 1.448 . . . . 0.0 111.756 176.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -67.09 -44.99 78.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.22 1.408 . . . . 0.0 112.69 -167.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -43.31 98.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.385 0.674 . . . . 0.0 111.248 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 21.9 m -66.39 -35.8 81.23 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.789 0.836 . . . . 0.0 112.618 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.96 -50.13 69.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.596 0.759 . . . . 0.0 111.679 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.69 -28.35 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.98 1.312 . . . . 0.0 113.161 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -76.15 -28.16 57.27 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.009 -1.057 . . . . 0.0 113.261 170.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.42 -38.0 26.17 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.42 1.009 . . . . 0.0 114.441 -177.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.55 175.15 7.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.505 1.522 . . . . 0.0 113.234 175.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 173.79 7.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.918 1.287 . . . . 0.0 113.561 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.53 -28.14 68.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -66.7 -35.36 79.95 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.294 1.038 . . . . 0.0 112.144 173.469 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.73 -37.14 67.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.755 0.822 . . . . 0.0 111.733 173.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.65 -46.94 87.6 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.627 -0.671 . . . . 0.0 110.995 172.153 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.24 -32.4 72.19 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.148 0.885 . . . . 0.0 113.323 175.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.09 78.94 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 175.105 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.15 -30.5 15.92 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -177.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.67 -36.64 57.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.85 1.26 . . . . 0.0 111.573 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.08 -130.0 38.38 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.352 0.977 . . . . 0.0 112.615 177.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.4 -23.62 66.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.36 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -80.81 1.24 31.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.225 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -58.13 145.21 37.66 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.262 -0.899 . . . . 0.0 111.547 173.021 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 132' ' ' ILE . . . . . 0.501 HG22 HD21 ' B' ' 170' ' ' ASN . 6.8 tp -64.86 147.85 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.035 0.934 . . . . 0.0 113.397 -166.689 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -111.01 20.67 17.24 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.69 1.596 . . . . 0.0 112.821 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -118.89 10.24 12.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.272 1.829 . . . . 0.0 113.643 -173.142 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 86.27 110.72 0.81 Allowed Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.468 1.509 . . . . 0.0 111.335 -169.569 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -78.64 171.77 55.16 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.953 0.787 . . . . 0.0 114.736 -178.185 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.9 -160.06 53.94 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 124.397 0.998 . . . . 0.0 115.157 174.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 87.9 p -80.92 10.65 4.78 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.227 1.811 . . . . 0.0 115.588 -172.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.52 150.58 34.16 Favored Glycine 0 CA--C 1.539 1.547 0 O-C-N 120.994 -1.066 . . . . 0.0 114.615 -177.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 88.1 -13.37 61.65 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.253 1.406 . . . . 0.0 115.355 -177.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 69.72 -170.09 43.82 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 118.825 1.312 . . . . 0.0 115.347 176.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.9 t -158.55 144.89 17.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 111.963 -178.246 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.66 -164.05 37.07 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.853 1.216 . . . . 0.0 113.508 177.098 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.82 -128.83 9.0 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.581 1.086 . . . . 0.0 114.227 174.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -63.87 -14.48 55.68 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.836 1.495 . . . . 0.0 116.836 -166.348 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 61.1 p -66.27 -13.65 60.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.99 1.395 . . . . 0.0 114.578 175.457 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 59.5 ttm -67.19 -35.23 79.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.048 0.939 . . . . 0.0 112.668 171.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.19 150.57 33.51 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.071 0.948 . . . . 0.0 110.924 171.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 149.14 39.82 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 124.589 1.156 . . . . 0.0 113.146 -176.454 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.28 172.3 12.42 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.148 3.232 . . . . 0.0 112.986 174.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 66.0 p -74.42 -0.21 16.63 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -177.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 32.9 t -146.86 150.22 34.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.603 1.561 . . . . 0.0 112.178 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 41.9 t -154.64 141.55 19.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.064 1.746 . . . . 0.0 110.962 -174.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -112.7 131.01 55.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.242 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.76 -35.71 92.37 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 -164.714 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -79.13 -33.65 44.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.796 0.838 . . . . 0.0 112.57 175.193 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.6 -59.24 2.82 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.364 1.465 . . . . 0.0 111.725 -168.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.08 -31.42 69.01 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -174.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.38 -46.79 72.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 112.379 174.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.13 -43.7 73.84 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.13 0.972 . . . . 0.0 111.79 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.09 -39.54 92.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.817 0.847 . . . . 0.0 112.114 175.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.6 t -62.44 -51.28 68.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.204 0.601 . . . . 0.0 111.004 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -57.24 -45.77 83.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.606 0.762 . . . . 0.0 112.371 -179.02 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.33 -19.15 62.34 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 25.9 t -73.66 -43.33 59.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.156 -1.59 . . . . 0.0 110.968 166.08 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -71.52 -38.98 71.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.391 1.876 . . . . 0.0 114.58 -177.123 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.09 157.13 35.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.428 1.091 . . . . 0.0 112.393 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 20.2 m -72.16 152.33 42.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.242 1.017 . . . . 0.0 111.672 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.34 -30.38 66.67 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.777 -1.202 . . . . 0.0 113.345 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 170' ' ' ASN . . . . . 0.501 HD21 HG22 ' B' ' 132' ' ' ILE . 22.8 m120 -65.73 -41.25 92.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.751 1.22 . . . . 0.0 112.583 171.344 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.24 -40.15 82.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.501 1.12 . . . . 0.0 111.824 176.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.11 -45.81 79.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.366 1.066 . . . . 0.0 112.236 172.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 60.5 mtm -62.29 -43.42 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.678 0.672 . . . . 0.0 112.279 174.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.09 69.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.47 -38.17 86.72 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.62 78.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.872 0.869 . . . . 0.0 112.769 177.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -48.38 59.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.635 0.774 . . . . 0.0 110.251 174.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.2 -49.31 78.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.18 -27.4 67.98 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.178 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -80.35 -32.82 37.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.626 1.57 . . . . 0.0 112.672 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.36 -38.35 63.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.923 0.889 . . . . 0.0 112.449 176.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -77.88 -28.84 50.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.23 -26.76 61.25 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.023 -1.048 . . . . 0.0 113.562 -175.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.1 pp -83.57 -11.88 56.82 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -103.25 -16.03 15.8 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -93.43 160.94 14.58 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.401 1.081 . . . . 0.0 113.153 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.363 0 C-N-CA 125.387 1.47 . . . . 0.0 113.186 -175.607 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.12 142.45 97.03 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.512 2.808 . . . . 0.0 113.554 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.3 12.83 79.92 Favored Glycine 0 CA--C 1.54 1.623 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 143.83 57.27 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.164 1.482 . . . . 0.0 112.455 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -78.84 -11.2 59.98 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.3 150.4 0.11 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 128.314 2.646 . . . . 0.0 115.206 -176.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.22 161.49 44.37 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.351 2.701 . . . . 0.0 113.089 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.99 -18.0 8.9 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.238 1.415 . . . . 0.0 113.485 173.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -70.3 -10.07 57.88 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.943 -1.098 . . . . 0.0 113.421 178.048 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -65.31 -24.3 67.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.202 1.401 . . . . 0.0 112.441 166.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.51 -33.75 64.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.857 -1.152 . . . . 0.0 112.659 175.349 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.68 -41.57 99.17 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.248 -0.907 . . . . 0.0 110.531 170.252 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -66.91 -33.41 75.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.018 0.927 . . . . 0.0 112.796 175.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.49 -47.9 68.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.856 0.862 . . . . 0.0 112.085 173.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -65.14 -31.13 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.807 1.243 . . . . 0.0 112.628 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.34 -28.21 67.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.435 1.094 . . . . 0.0 113.687 168.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.12 52.72 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.464 1.031 . . . . 0.0 115.479 -174.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -101.04 -179.1 3.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.762 1.625 . . . . 0.0 114.239 -174.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.8 175.22 8.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.334 1.454 . . . . 0.0 113.097 -176.468 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.85 -29.79 67.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -171.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.96 -32.1 73.12 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.669 -0.644 . . . . 0.0 112.624 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -79.78 -27.66 40.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 112.013 175.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.33 -48.16 62.26 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 111.065 169.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.66 67.09 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 0.0 113.258 177.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -17.41 64.45 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -121.65 -25.78 5.03 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.3 -36.34 74.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.786 1.234 . . . . 0.0 112.128 171.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.52 -123.09 29.08 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.915 1.245 . . . . 0.0 114.009 171.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.0 -25.08 67.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.392 1.477 . . . . 0.0 113.168 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -97.51 12.64 32.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.451 1.5 . . . . 0.0 113.672 179.135 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.27 149.54 28.41 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.263 -0.898 . . . . 0.0 111.514 169.246 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.4 tp -58.99 151.23 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 113.161 -173.26 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -108.67 18.08 21.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.545 1.138 . . . . 0.0 113.92 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -148.77 159.2 44.36 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.029 1.332 . . . . 0.0 112.763 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.53 -170.46 44.0 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.994 1.283 . . . . 0.0 114.729 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.85 168.76 34.5 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.087 1.327 . . . . 0.0 113.323 178.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.79 179.98 48.77 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.893 1.235 . . . . 0.0 114.847 -177.56 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -64.19 150.34 45.99 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.598 1.159 . . . . 0.0 112.863 177.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.49 -12.36 77.18 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 124.3 0.952 . . . . 0.0 114.315 169.467 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.39 145.0 49.24 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 118.598 1.199 . . . . 0.0 113.15 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.49 80.04 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.865 1.222 . . . . 0.0 115.443 -177.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -68.32 151.67 46.56 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 112.4 177.103 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 149.59 49.35 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.172 0.892 . . . . 0.0 114.335 -177.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.77 -169.74 42.83 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.082 1.325 . . . . 0.0 113.418 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.06 -158.55 52.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.443 1.021 . . . . 0.0 114.508 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -67.86 158.29 32.94 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.093 1.357 . . . . 0.0 112.964 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.1 ptp -151.39 173.78 14.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -61.26 160.57 10.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.513 1.125 . . . . 0.0 113.632 177.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -62.16 146.85 91.82 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.208 1.003 . . . . 0.0 111.552 172.055 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.58 158.45 50.85 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.986 3.124 . . . . 0.0 113.031 -177.231 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -70.07 148.47 48.76 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.74 1.216 . . . . 0.0 112.334 171.263 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -73.03 -20.13 61.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 m -143.32 145.71 32.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.388 1.075 . . . . 0.0 113.234 -170.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 55.52 28.93 12.49 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 168.009 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.6 -9.46 65.23 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 126.054 1.788 . . . . 0.0 115.944 -172.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -58.18 -38.2 76.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.894 1.347 . . . . 0.0 112.374 -179.119 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -71.43 -41.21 69.79 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.619 1.168 . . . . 0.0 111.623 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.07 -42.5 72.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.61 1.164 . . . . 0.0 112.034 -178.322 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -63.25 -51.51 65.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.986 0.515 . . . . 0.0 111.675 177.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.76 -43.97 91.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.6 tp -65.73 -40.33 92.06 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.073 -1.017 . . . . 0.0 112.443 176.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -63.06 -43.24 99.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.48 0.712 . . . . 0.0 111.699 173.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -57.66 -47.14 83.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.685 1.194 . . . . 0.0 111.749 174.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.06 -25.51 62.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 p -71.03 -38.06 72.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.372 1.442 . . . . 0.0 112.509 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -65.13 -48.23 74.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.075 2.15 . . . . 0.0 113.012 173.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.66 150.36 48.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 112.656 -175.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.7 t -68.89 158.27 34.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.493 1.517 . . . . 0.0 112.963 177.383 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -50.03 -40.56 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.312 1.445 . . . . 0.0 112.273 170.069 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -68.08 -39.36 82.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.324 1.05 . . . . 0.0 112.671 177.428 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.51 -39.61 81.15 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.938 0.895 . . . . 0.0 112.458 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.97 -40.48 93.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.589 1.156 . . . . 0.0 112.605 173.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 68.6 mtm -60.92 -45.73 93.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.904 0.774 . . . . 0.0 111.957 170.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.65 65.39 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.86 -37.32 86.97 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.43 1.014 . . . . 0.0 111.925 179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.4 72.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.137 0.975 . . . . 0.0 112.037 176.403 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -43.44 98.84 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.568 0.747 . . . . 0.0 110.383 177.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -57.05 -56.98 14.79 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.445 1.098 . . . . 0.0 112.74 174.039 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.47 -27.02 67.47 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -176.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.3 -46.39 60.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.356 1.462 . . . . 0.0 111.831 171.101 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -68.17 -38.34 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.735 0.814 . . . . 0.0 112.222 -174.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -76.98 -25.7 53.05 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.179 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.72 -35.79 26.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.989 1.268 . . . . 0.0 113.139 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.9 -17.76 62.08 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -174.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -89.54 -6.59 56.21 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -76.61 154.21 34.59 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.215 -0.928 . . . . 0.0 112.281 178.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.361 0 C-N-CA 125.357 1.456 . . . . 0.0 114.143 -178.937 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.475 0 CA-C-O 118.894 -0.948 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.7 154.57 48.24 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.229 3.286 . . . . 0.0 114.635 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.44 175.56 51.2 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.504 1.049 . . . . 0.0 114.125 174.512 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 87.0 p -152.72 166.66 31.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.034 1.334 . . . . 0.0 112.452 178.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.85 -13.11 60.87 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.99 147.56 85.68 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.18 1.392 . . . . 0.0 112.951 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.8 134.0 33.39 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.25 2.633 . . . . 0.0 112.51 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.04 -12.99 36.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.067 1.347 . . . . 0.0 113.79 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -129.03 11.99 6.09 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.43 1.492 . . . . 0.0 114.207 -167.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.4 t -152.63 122.4 6.92 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.22 1.01 . . . . 0.0 111.447 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -27.95 23.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.496 1.118 . . . . 0.0 112.782 173.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -38.38 88.04 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.489 1.041 . . . . 0.0 111.378 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -69.24 -37.55 78.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.654 0.782 . . . . 0.0 112.437 175.365 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.95 -53.45 17.75 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.398 -0.814 . . . . 0.0 112.701 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -61.45 -27.41 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.992 1.717 . . . . 0.0 113.388 -174.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -74.84 -21.85 59.03 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 121.172 -0.955 . . . . 0.0 113.471 172.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.1 -42.77 4.57 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.764 1.173 . . . . 0.0 114.44 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -74.3 163.64 27.57 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 113.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.03 175.14 5.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.561 1.144 . . . . 0.0 113.557 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -58.65 -29.18 66.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -178.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.25 -34.0 76.52 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.318 1.047 . . . . 0.0 112.45 173.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -77.79 -32.13 52.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.696 1.199 . . . . 0.0 111.706 175.6 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.48 -47.14 77.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.43 0.692 . . . . 0.0 110.869 169.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.22 70.12 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.346 -0.846 . . . . 0.0 113.255 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.14 64.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 pp -119.91 -25.27 5.87 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.02 -34.64 66.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.138 0.975 . . . . 0.0 112.368 170.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.61 -123.9 33.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.893 1.235 . . . . 0.0 113.183 174.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.65 -21.79 65.96 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.77 1.228 . . . . 0.0 113.62 179.04 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -89.06 1.25 55.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 113.907 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.45 148.74 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.962 -1.086 . . . . 0.0 112.792 178.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 4.3 tp -66.87 145.36 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 121.243 -0.91 . . . . 0.0 112.765 -174.132 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -92.65 -3.04 55.59 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 174.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -68.68 151.75 46.27 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.861 1.264 . . . . 0.0 113.374 175.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.04 160.46 46.46 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.304 0.954 . . . . 0.0 113.984 176.504 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.54 156.21 49.44 Favored Glycine 0 CA--C 1.543 1.782 0 C-N-CA 124.523 1.058 . . . . 0.0 113.938 176.347 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.69 154.07 49.66 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.517 1.056 . . . . 0.0 113.739 177.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -73.21 149.14 43.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.353 1.061 . . . . 0.0 112.3 176.051 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.57 -152.64 52.52 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.297 0.951 . . . . 0.0 114.453 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.33 171.84 44.93 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.772 1.177 . . . . 0.0 113.54 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 179.86 176.75 47.54 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.642 1.115 . . . . 0.0 113.525 -178.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -70.66 153.0 43.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.246 1.419 . . . . 0.0 113.477 177.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.52 -165.18 36.24 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.558 1.075 . . . . 0.0 114.344 176.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 77.48 -158.32 47.15 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.681 1.134 . . . . 0.0 114.364 176.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 82.15 0.07 89.27 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 125.404 1.478 . . . . 0.0 115.374 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 97.1 p -61.88 -22.43 65.54 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -178.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 53.4 tpp -74.72 -23.36 58.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.502 1.121 . . . . 0.0 113.527 177.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -77.87 67.52 3.75 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.119 1.367 . . . . 0.0 113.554 -172.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.7 152.54 30.49 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.823 1.649 . . . . 0.0 112.631 176.109 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.36 155.02 56.13 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.127 2.551 . . . . 0.0 112.143 173.324 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 49.1 p -87.03 154.43 20.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 112.291 170.005 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 50.2 m -145.91 -15.48 0.47 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.942 1.697 . . . . 0.0 113.777 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 9.6 t -148.92 -149.92 0.32 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.348 1.859 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -62.65 146.04 53.12 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.706 -1.247 . . . . 0.0 112.692 174.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.09 -40.61 98.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 123.762 0.696 . . . . 0.0 114.159 -176.515 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -63.03 -38.88 92.95 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.068 0.934 . . . . 0.0 111.651 174.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -72.14 -49.26 37.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.325 1.45 . . . . 0.0 111.056 -175.708 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.41 -36.11 82.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 178.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.05 -55.69 11.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.995 0.816 . . . . 0.0 111.575 173.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -62.75 -45.47 92.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.041 0.936 . . . . 0.0 112.653 -174.603 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.97 -40.33 87.43 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.282 -0.886 . . . . 0.0 112.876 178.153 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 26.9 t -59.49 -46.8 87.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.913 0.885 . . . . 0.0 111.973 173.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -63.51 -49.6 72.89 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.906 1.683 . . . . 0.0 111.721 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.84 -31.62 72.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.099 0.959 . . . . 0.0 112.736 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 14.3 p -70.36 -30.33 67.24 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.506 1.503 . . . . 0.0 113.589 173.452 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -87.02 -31.99 20.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 113.753 -178.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.27 152.36 45.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.264 1.026 . . . . 0.0 112.764 175.457 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.0 t -69.38 156.57 38.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.355 1.462 . . . . 0.0 112.541 178.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -53.68 -36.74 62.49 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.849 1.26 . . . . 0.0 112.19 169.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -68.94 -43.52 74.91 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.501 0.72 . . . . 0.0 112.486 175.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.82 -41.18 95.96 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.129 0.972 . . . . 0.0 111.576 176.436 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.66 -45.05 95.59 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.524 1.13 . . . . 0.0 112.319 176.012 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 69.4 mtm -60.65 -41.05 94.17 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.548 0.613 . . . . 0.0 111.851 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.97 56.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.62 -35.42 80.75 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.034 0.834 . . . . 0.0 111.552 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.02 84.79 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.5 0.72 . . . . 0.0 112.072 173.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.21 -43.41 98.89 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.134 -0.979 . . . . 0.0 111.057 176.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -61.84 -46.07 91.05 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.964 0.906 . . . . 0.0 112.501 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.0 -23.62 63.17 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.32 0.964 . . . . 0.0 113.135 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -76.83 -32.81 57.82 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.376 1.47 . . . . 0.0 113.007 171.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -74.32 -36.16 63.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.717 1.207 . . . . 0.0 112.854 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.09 -28.25 35.31 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -71.54 -29.59 64.93 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.369 0.986 . . . . 0.0 112.979 -176.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.04 -8.97 59.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -107.08 8.89 30.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.851 1.26 . . . . 0.0 113.963 176.001 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.42 155.96 35.99 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.82 1.248 . . . . 0.0 112.641 174.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 CA-C-O 117.748 -1.584 . . . . 0.0 114.293 178.18 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.433 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -69.38 154.54 69.1 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.131 3.221 . . . . 0.0 113.027 178.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.12 167.81 28.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.722 1.153 . . . . 0.0 114.885 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 t 61.23 159.18 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.308 2.243 . . . . 0.0 115.415 -173.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -91.02 -17.51 26.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.821 1.648 . . . . 0.0 113.368 176.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.85 147.8 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 128.88 2.872 . . . . 0.0 115.834 -175.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.7 150.79 51.05 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.263 2.642 . . . . 0.0 112.937 177.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -110.42 -20.44 12.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.38 1.472 . . . . 0.0 112.98 169.482 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.17 -27.6 65.82 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.552 1.541 . . . . 0.0 112.956 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.8 p -61.03 -28.88 69.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.463 1.505 . . . . 0.0 112.853 176.057 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.25 -39.66 28.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.166 0.894 . . . . 0.0 111.947 177.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.77 -54.2 30.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.072 0.949 . . . . 0.0 110.859 177.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.3 m -67.28 -24.57 65.79 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.58 -51.45 59.63 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.842 0.746 . . . . 0.0 110.867 168.183 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.66 -30.48 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.12 1.368 . . . . 0.0 112.98 178.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.0 -27.17 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.94 -1.1 . . . . 0.0 113.461 171.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.59 -40.77 5.9 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.466 1.032 . . . . 0.0 115.176 -174.343 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.96 166.29 23.52 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.302 1.441 . . . . 0.0 113.329 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.06 177.15 4.76 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.068 1.747 . . . . 0.0 113.574 -172.519 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -58.35 -30.61 66.87 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.09 -35.52 80.74 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.149 -0.969 . . . . 0.0 112.578 172.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -77.3 -30.99 54.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.169 0.988 . . . . 0.0 112.497 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.06 -46.79 70.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.724 0.81 . . . . 0.0 110.542 171.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.93 67.6 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.935 0.894 . . . . 0.0 113.068 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -17.52 64.91 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.0 -26.87 5.07 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.29 -34.15 70.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.248 1.019 . . . . 0.0 111.703 168.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.08 -135.74 45.93 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.226 1.394 . . . . 0.0 113.103 175.532 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.71 -17.6 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.645 1.178 . . . . 0.0 113.304 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -87.87 -0.58 57.16 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.284 1.434 . . . . 0.0 114.024 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.59 145.56 23.03 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.828 1.251 . . . . 0.0 112.869 176.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 tp -61.5 141.88 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.898 0.879 . . . . 0.0 112.755 -173.28 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.71 -10.78 52.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 173.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -80.13 165.62 22.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.366 1.467 . . . . 0.0 113.754 -175.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.74 157.72 29.2 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.291 1.425 . . . . 0.0 112.412 174.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -173.15 40.37 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.194 0.902 . . . . 0.0 114.376 -173.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.69 43.45 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.255 0.931 . . . . 0.0 114.146 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.9 t -157.34 148.2 21.44 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.521 1.528 . . . . 0.0 110.613 178.404 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.13 171.08 40.31 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 115.074 0.79 . . . . 0.0 115.074 179.087 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.86 -178.53 52.39 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.065 1.316 . . . . 0.0 113.826 174.557 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.48 108.78 2.6 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.375 0.988 . . . . 0.0 112.924 177.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.4 p -78.58 157.75 28.67 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.733 1.213 . . . . 0.0 113.376 177.638 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 173.54 152.28 8.75 Favored Glycine 0 CA--C 1.545 1.919 0 C-N-CA 124.985 1.279 . . . . 0.0 112.93 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.95 -167.11 46.36 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 127.507 2.48 . . . . 0.0 115.073 -0.015 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.62 -149.55 43.58 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.628 1.108 . . . . 0.0 114.355 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 t 65.21 6.37 3.54 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.874 2.07 . . . . 0.0 116.079 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm 53.3 37.77 26.13 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.306 1.842 . . . . 0.0 114.24 173.366 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -62.28 148.28 45.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.661 0.784 . . . . 0.0 113.112 -177.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -93.33 159.33 35.46 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 124.964 1.306 . . . . 0.0 112.239 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -58.37 151.85 57.99 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.273 2.648 . . . . 0.0 113.888 177.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -155.22 154.43 32.2 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.993 1.317 . . . . 0.0 111.697 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -72.63 -20.73 61.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.828 1.251 . . . . 0.0 113.082 176.152 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.2 m -72.0 127.52 32.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.152 0.981 . . . . 0.0 112.092 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 46.73 -115.14 0.57 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.412 1.885 . . . . 0.0 113.877 173.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 -37.54 2.8 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.826 1.679 . . . . 0.0 115.139 172.075 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -60.29 -36.63 78.31 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.055 . . . . 0.0 112.644 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -85.07 -43.1 14.21 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.878 1.671 . . . . 0.0 112.526 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.15 -46.8 66.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.277 1.031 . . . . 0.0 112.603 -168.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.29 -37.56 74.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.632 -0.667 . . . . 0.0 112.013 176.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.39 -48.13 65.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.581 1.152 . . . . 0.0 111.958 -178.72 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.91 -35.11 79.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.849 0.86 . . . . 0.0 111.773 177.238 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.7 m -62.94 -40.23 97.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.505 -0.747 . . . . 0.0 112.243 172.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -71.59 -39.48 70.49 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.092 -1.005 . . . . 0.0 112.175 177.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.93 -21.06 64.23 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 119.49 1.041 . . . . 0.0 112.422 171.742 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.4 t -76.23 -38.31 56.56 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.63 -1.294 . . . . 0.0 112.73 167.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -63.86 -48.88 74.96 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.184 1.394 . . . . 0.0 113.753 174.203 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.45 156.32 39.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.912 1.285 . . . . 0.0 114.071 -167.214 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -72.75 158.64 35.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.391 1.476 . . . . 0.0 112.787 175.774 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -50.47 -43.39 55.4 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.27 1.428 . . . . 0.0 112.536 175.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -64.64 -36.53 84.56 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.318 1.047 . . . . 0.0 113.341 175.834 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.99 -41.82 73.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.796 0.838 . . . . 0.0 111.345 176.08 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.31 -39.38 92.85 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.908 0.776 . . . . 0.0 112.578 172.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.7 mtm -59.03 -46.47 88.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.213 0.915 . . . . 0.0 111.612 170.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.68 58.0 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -174.388 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.44 -37.29 85.32 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.676 1.126 . . . . 0.0 111.791 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.49 74.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.877 0.871 . . . . 0.0 112.146 177.474 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -45.41 83.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.918 0.887 . . . . 0.0 110.778 173.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -57.92 -50.94 71.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.78 1.232 . . . . 0.0 112.735 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.94 -27.69 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.825 0.739 . . . . 0.0 112.601 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -78.95 -33.51 45.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.23 1.012 . . . . 0.0 113.206 174.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.64 -38.45 67.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.583 0.753 . . . . 0.0 111.816 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -77.43 -18.33 57.32 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.77 -33.02 31.15 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.853 1.206 . . . . 0.0 112.46 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -82.58 -14.87 54.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.35 -5.16 57.72 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.37 1.068 . . . . 0.0 113.387 175.766 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.77 155.89 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.712 1.205 . . . . 0.0 113.141 178.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 125.629 1.585 . . . . 0.0 113.496 -178.45 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.54 166.02 30.68 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.262 3.308 . . . . 0.0 113.217 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.02 162.68 45.87 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.037 0.827 . . . . 0.0 113.058 169.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.502 1.121 . . . . 0.0 112.45 -174.465 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -68.55 -23.89 64.57 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.594 1.158 . . . . 0.0 112.814 168.2 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.35 158.89 0.11 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 128.373 2.669 . . . . 0.0 115.62 -175.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.64 151.06 83.5 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.148 2.565 . . . . 0.0 113.238 176.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.79 -17.73 58.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.704 0.802 . . . . 0.0 112.851 167.712 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -85.77 3.94 39.11 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.382 1.873 . . . . 0.0 114.785 -175.47 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 77.6 p -62.07 154.92 25.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.09 0.956 . . . . 0.0 113.175 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -63.01 -40.72 98.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.592 1.157 . . . . 0.0 111.631 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.69 -42.48 95.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.74 0.816 . . . . 0.0 111.091 176.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -63.8 -41.04 97.98 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.323 0.649 . . . . 0.0 111.91 176.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -66.47 -51.86 52.29 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.457 -0.777 . . . . 0.0 112.442 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.67 -29.44 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.218 1.407 . . . . 0.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -71.72 -23.17 61.58 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.81 -1.181 . . . . 0.0 113.208 169.648 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -89.77 -44.98 4.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.989 1.28 . . . . 0.0 114.491 -177.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.36 169.54 17.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.477 1.111 . . . . 0.0 113.642 178.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.73 177.34 6.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.629 1.172 . . . . 0.0 113.597 -172.26 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.05 -30.76 66.43 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -170.533 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -66.25 -34.6 78.38 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.262 -0.899 . . . . 0.0 112.478 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.21 -36.28 58.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.887 1.275 . . . . 0.0 111.476 175.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.8 -48.05 80.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.906 . . . . 0.0 110.795 172.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.62 71.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 113.035 176.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.67 65.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.97 -27.61 11.57 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.24 -35.93 63.88 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.56 1.144 . . . . 0.0 112.192 171.318 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.9 -133.49 46.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.526 1.06 . . . . 0.0 112.921 173.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.28 -17.91 64.08 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.19 4.09 49.76 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.924 1.289 . . . . 0.0 113.653 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.2 147.19 25.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.113 -0.992 . . . . 0.0 112.769 176.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.9 tp -66.37 145.76 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.318 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -97.47 0.34 47.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.828 1.251 . . . . 0.0 113.592 174.009 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.3 145.11 35.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.554 1.142 . . . . 0.0 112.735 -177.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -107.28 -161.82 21.63 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.787 1.661 . . . . 0.0 113.868 176.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.81 6.07 89.21 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.854 1.216 . . . . 0.0 115.764 174.953 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.72 169.74 52.01 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 118.844 1.322 . . . . 0.0 114.397 175.639 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -153.56 148.39 26.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.223 1.409 . . . . 0.0 112.064 177.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.06 149.53 44.47 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.873 1.225 . . . . 0.0 113.95 -177.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 177.93 170.31 39.98 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.564 1.078 . . . . 0.0 113.414 179.008 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 173.29 174.7 40.52 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.664 1.126 . . . . 0.0 113.783 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.8 t -155.78 151.49 27.32 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.954 1.302 . . . . 0.0 111.689 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.96 -10.0 80.36 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.301 0.953 . . . . 0.0 114.232 170.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.53 -156.82 53.03 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 118.688 1.244 . . . . 0.0 114.058 -179.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.73 -14.4 0.03 OUTLIER Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.946 1.138 . . . . 0.0 115.946 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 76.0 p -81.1 -6.57 58.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.307 1.443 . . . . 0.0 114.86 175.372 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 63.6 ttp -62.86 139.5 58.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.714 1.206 . . . . 0.0 112.667 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 57.57 32.22 21.5 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.215 1.406 . . . . 0.0 114.143 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -131.3 153.86 81.78 Favored Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 126.384 1.874 . . . . 0.0 111.3 176.38 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -61.94 156.98 45.96 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.191 2.594 . . . . 0.0 113.964 178.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.3 t -138.28 152.78 48.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.83 1.252 . . . . 0.0 112.045 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 41.4 t -69.48 140.33 54.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.289 1.436 . . . . 0.0 112.849 -173.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.5 p -73.48 -22.84 60.05 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.661 1.184 . . . . 0.0 113.217 170.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -92.78 -13.92 28.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.202 1.401 . . . . 0.0 113.728 176.263 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.02 2.81 82.91 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.543 1.544 . . . . 0.0 114.339 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 -58.14 -37.29 74.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.368 1.084 . . . . 0.0 112.233 -173.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -28.06 43.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.166 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.34 -50.85 8.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.286 1.034 . . . . 0.0 112.672 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -71.33 -41.56 69.67 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.712 -0.618 . . . . 0.0 112.457 -174.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.75 -48.69 79.56 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.573 -0.705 . . . . 0.0 111.606 177.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.74 -32.63 74.4 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.659 -0.651 . . . . 0.0 111.976 176.247 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 41.5 t -63.7 -39.41 94.24 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.972 0.909 . . . . 0.0 112.964 173.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -65.56 -49.63 68.13 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.744 1.157 . . . . 0.0 110.178 170.296 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.557 1.143 . . . . 0.0 113.337 -174.369 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.0 p -75.67 -30.89 59.54 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.02 1.282 . . . . 0.0 113.625 171.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -87.24 -33.94 19.13 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.731 1.613 . . . . 0.0 114.452 -176.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.8 150.72 48.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.065 1.346 . . . . 0.0 112.694 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 41.2 t -68.93 155.04 40.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.939 1.296 . . . . 0.0 111.714 174.547 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.78 -33.72 68.82 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.933 -1.104 . . . . 0.0 112.373 175.29 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -63.08 -42.0 99.54 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.943 0.897 . . . . 0.0 112.52 170.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.78 -40.34 88.14 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.977 0.911 . . . . 0.0 112.235 174.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.11 -42.9 99.66 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.662 0.665 . . . . 0.0 112.254 174.276 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.2 -46.0 79.62 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.659 0.663 . . . . 0.0 111.843 170.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.82 -42.23 61.19 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -174.56 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -39.28 91.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.337 1.055 . . . . 0.0 112.367 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -46.23 86.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.774 0.829 . . . . 0.0 110.981 175.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -62.19 -46.4 89.11 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.681 0.792 . . . . 0.0 112.942 179.157 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -22.38 63.51 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 177.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.61 -38.48 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.097 0.959 . . . . 0.0 112.322 171.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.33 -31.47 72.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.166 0.987 . . . . 0.0 113.126 -177.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -82.75 -38.06 23.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 0.0 113.061 174.366 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.93 -21.26 62.37 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.27 1.396 . . . . 0.0 113.873 -174.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.25 -6.25 50.58 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 174.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -134.35 -26.33 1.46 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 54.94 15.28 1.11 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 171.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.219 0 C-N-CA 127.683 2.563 . . . . 0.0 113.673 177.183 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.74 160.98 40.19 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.036 3.158 . . . . 0.0 112.599 176.072 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.86 170.58 54.65 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 123.815 0.721 . . . . 0.0 113.295 169.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 m -62.59 141.16 58.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.554 1.141 . . . . 0.0 112.484 178.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -69.18 -35.2 76.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.201 1.0 . . . . 0.0 113.515 -177.319 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.54 163.42 0.11 Allowed Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 128.075 2.55 . . . . 0.0 115.27 -177.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -64.0 167.26 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.604 2.87 . . . . 0.0 113.859 174.525 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -96.22 -34.89 11.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.337 1.055 . . . . 0.0 112.024 163.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -88.74 55.56 3.42 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.587 2.355 . . . . 0.0 110.167 171.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.2 p -61.49 175.07 0.64 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.346 1.859 . . . . 0.0 113.839 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.08 -27.94 55.63 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.875 1.27 . . . . 0.0 113.803 -177.164 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.06 -39.32 85.58 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.497 1.119 . . . . 0.0 111.847 177.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -64.81 -31.38 72.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.217 1.007 . . . . 0.0 112.731 176.571 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.78 -46.94 23.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.942 0.897 . . . . 0.0 111.605 176.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.06 -32.78 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.892 1.277 . . . . 0.0 112.992 178.684 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.34 -18.18 60.06 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.01 0.924 . . . . 0.0 113.35 171.028 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -39.94 5.9 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.388 1.47 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.14 174.84 8.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.646 1.178 . . . . 0.0 113.534 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.77 177.04 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.92 1.288 . . . . 0.0 113.398 -175.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.29 -30.02 66.3 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.384 1.474 . . . . 0.0 114.305 -172.326 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.89 -32.05 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.999 0.92 . . . . 0.0 112.387 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.97 -39.07 30.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.271 1.028 . . . . 0.0 111.4 173.445 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.62 -45.31 94.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.306 0.642 . . . . 0.0 111.292 176.255 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.16 73.68 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 176.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.87 77.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.484 0.584 . . . . 0.0 112.535 175.133 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.4 -30.23 19.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.41 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.36 -38.27 30.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.219 1.007 . . . . 0.0 112.03 171.378 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.85 -124.15 30.07 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.421 0.534 . . . . 0.0 112.358 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.2 -25.32 66.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.77 1.228 . . . . 0.0 113.242 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -83.82 -0.76 52.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 177.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.25 137.96 58.38 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.146 -0.971 . . . . 0.0 112.292 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG22 HD21 ' A' ' 70' ' ' ASN . 6.0 tp -60.27 147.83 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.12 0.968 . . . . 0.0 112.276 -176.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -87.97 -8.31 55.85 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -73.53 144.43 46.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.793 1.237 . . . . 0.0 113.131 175.279 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.99 175.31 46.54 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.452 1.025 . . . . 0.0 114.184 174.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.32 71.69 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.306 0.882 . . . . 0.0 115.306 171.055 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.37 -20.81 69.89 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 124.694 1.14 . . . . 0.0 115.641 -175.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.7 t -68.97 130.52 43.01 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.637 1.219 . . . . 0.0 111.809 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.31 -158.64 31.57 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.831 1.205 . . . . 0.0 113.452 -178.169 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.66 -153.18 47.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.129 0.871 . . . . 0.0 114.557 176.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.53 -177.25 54.37 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.248 1.404 . . . . 0.0 114.732 -178.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -158.79 152.17 22.81 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.647 1.579 . . . . 0.0 111.918 -177.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.98 -14.46 80.24 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.293 0.949 . . . . 0.0 114.462 170.417 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.06 17.24 77.04 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 116.086 1.194 . . . . 0.0 116.086 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.6 134.85 38.47 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 118.795 1.297 . . . . 0.0 113.304 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.6 p -75.32 -45.48 39.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.56 1.144 . . . . 0.0 113.853 -173.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.7 tmt? 61.68 155.17 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.611 2.364 . . . . 0.0 114.053 -171.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.09 38.2 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.114 -1.616 . . . . 0.0 113.789 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -70.89 149.8 95.04 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.264 1.826 . . . . 0.0 113.314 -175.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -69.22 161.46 45.78 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.604 2.869 . . . . 0.0 112.601 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -69.11 147.22 51.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.86 1.264 . . . . 0.0 112.233 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.5 m -141.56 145.96 35.73 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.439 1.496 . . . . 0.0 112.066 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.9 m -72.77 152.71 41.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.625 1.17 . . . . 0.0 112.515 177.024 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 58.8 -84.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 127.518 2.327 . . . . 0.0 114.779 176.625 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.62 -15.49 9.61 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.541 1.543 . . . . 0.0 116.726 173.128 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -60.41 -42.45 96.02 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.293 1.547 . . . . 0.0 112.685 -177.245 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.09 -38.4 82.28 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.66 1.184 . . . . 0.0 113.057 178.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -68.43 -47.37 67.4 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.637 1.175 . . . . 0.0 111.261 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -60.87 -51.62 68.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.418 1.087 . . . . 0.0 111.516 176.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.36 -53.22 38.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.304 1.042 . . . . 0.0 112.627 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.59 -35.54 81.11 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.506 -0.746 . . . . 0.0 112.264 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -63.72 -47.7 80.04 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.608 -0.683 . . . . 0.0 112.108 177.17 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -69.34 -37.88 77.9 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.596 1.089 . . . . 0.0 113.509 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.47 -27.96 68.95 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.865 0.757 . . . . 0.0 112.796 176.291 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -70.42 -29.7 66.38 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.587 1.085 . . . . 0.0 113.508 172.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -81.14 -33.72 32.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.588 1.555 . . . . 0.0 112.818 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.32 149.74 49.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.205 1.402 . . . . 0.0 112.445 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 t -65.27 156.45 31.92 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.852 1.261 . . . . 0.0 112.312 174.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -57.16 -32.38 66.35 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.043 -1.036 . . . . 0.0 112.268 167.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 32' ' ' ILE . 36.4 m120 -64.09 -44.81 91.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.354 0.662 . . . . 0.0 111.979 171.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.69 -36.8 76.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.969 0.908 . . . . 0.0 111.928 178.038 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.27 -43.64 98.55 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.501 1.12 . . . . 0.0 112.111 173.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mtm -59.83 -47.21 86.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.241 0.473 . . . . 0.0 111.776 169.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.44 77.76 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.22 -38.91 89.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.058 0.845 . . . . 0.0 111.74 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.24 87.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.587 0.755 . . . . 0.0 111.963 177.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.37 -45.71 89.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.605 0.762 . . . . 0.0 111.206 177.281 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -61.92 -46.39 89.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.559 0.744 . . . . 0.0 112.582 177.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.53 -25.69 63.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.133 0.879 . . . . 0.0 113.324 177.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.02 -34.16 64.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.601 1.16 . . . . 0.0 112.649 172.003 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.33 -37.21 74.64 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.396 1.078 . . . . 0.0 112.528 -179.652 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -81.01 -35.78 31.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -66.4 -30.67 71.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.794 -1.191 . . . . 0.0 112.776 -175.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -77.02 -7.41 55.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.203 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -114.05 -0.03 14.17 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 174.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.7 143.88 55.73 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.216 -0.927 . . . . 0.0 112.121 169.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.313 0 C-N-CA 125.352 1.453 . . . . 0.0 113.851 179.799 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -58.37 145.95 91.8 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 124.177 3.251 . . . . 0.0 113.991 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 148.7 -156.87 27.06 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.231 1.396 . . . . 0.0 112.786 -177.598 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -149.48 144.62 26.42 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.443 1.497 . . . . 0.0 111.427 173.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -79.92 -17.28 53.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.131 1.372 . . . . 0.0 114.058 -179.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.79 153.59 0.11 Allowed Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 127.719 2.407 . . . . 0.0 114.93 -171.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.18 156.94 62.36 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 123.162 2.575 . . . . 0.0 113.887 179.315 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 pp -140.65 -30.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.292 1.837 . . . . 0.0 111.047 165.215 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -78.48 47.23 0.69 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.809 2.443 . . . . 0.0 112.318 164.347 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -55.46 168.91 0.33 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.756 2.022 . . . . 0.0 114.152 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -56.03 -36.9 68.52 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.209 1.404 . . . . 0.0 112.599 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.99 -48.49 76.19 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.568 0.747 . . . . 0.0 110.914 176.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -63.73 -31.27 72.4 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 112.864 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -69.33 -53.9 17.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.66 0.784 . . . . 0.0 111.661 173.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.4 mm -60.43 -31.29 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.483 1.513 . . . . 0.0 113.074 177.479 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -70.42 -21.93 62.78 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.687 1.195 . . . . 0.0 113.579 171.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.87 -42.53 4.09 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.234 1.397 . . . . 0.0 115.085 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.52 173.79 10.53 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.941 1.296 . . . . 0.0 113.828 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.63 178.56 5.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.922 1.289 . . . . 0.0 113.574 -173.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -60.01 -32.08 70.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.868 1.267 . . . . 0.0 114.39 -168.745 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -66.01 -33.71 76.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.522 0.729 . . . . 0.0 112.368 174.226 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -76.74 -38.12 54.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.127 174.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.25 -47.79 84.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.968 0.907 . . . . 0.0 110.963 174.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.79 81.68 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.43 84.66 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -32.93 30.97 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.678 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.0 -49.16 48.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.524 1.056 . . . . 0.0 111.169 168.369 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.86 97.4 0.07 OUTLIER Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.086 1.327 . . . . 0.0 113.02 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 62.3 -27.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 128.379 2.672 . . . . 0.0 116.325 -177.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.77 1.86 32.64 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 113.904 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.72 151.68 10.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.913 1.685 . . . . 0.0 112.278 170.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.5 tp -59.88 147.55 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.229 1.012 . . . . 0.0 113.03 -171.285 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -95.3 -5.54 43.33 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.254 1.022 . . . . 0.0 113.291 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -81.54 154.8 26.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.754 1.622 . . . . 0.0 112.727 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.08 123.1 6.2 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.749 0.69 . . . . 0.0 112.823 173.008 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.17 164.7 10.98 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 125.022 1.296 . . . . 0.0 115.505 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -87.89 177.76 46.55 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.762 1.172 . . . . 0.0 113.98 176.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 90.5 p -118.24 12.19 13.39 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.705 1.602 . . . . 0.0 113.777 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.42 153.71 20.81 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.121 1.344 . . . . 0.0 114.502 -178.562 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.51 -15.25 55.61 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.733 1.635 . . . . 0.0 114.096 166.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.41 -169.21 53.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.298 1.049 . . . . 0.0 114.305 178.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 23.7 m -90.7 -0.98 57.87 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.42 138.2 45.21 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 124.266 0.936 . . . . 0.0 114.179 -175.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 168.86 -163.86 37.56 Favored Glycine 0 CA--C 1.54 1.611 0 O-C-N 121.81 -0.818 . . . . 0.0 114.137 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.22 -169.77 33.77 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.125 1.345 . . . . 0.0 113.377 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 8.4 t 60.3 -174.21 0.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.748 1.619 . . . . 0.0 113.886 -174.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -72.27 -10.29 59.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.029 1.732 . . . . 0.0 114.984 -176.113 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 m120 60.63 -179.82 0.1 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.771 2.029 . . . . 0.0 113.863 -174.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.93 156.54 79.65 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.107 1.363 . . . . 0.0 113.439 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 159.27 23.99 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.49 2.793 . . . . 0.0 114.198 176.337 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 14.9 t -148.27 153.92 39.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.777 1.231 . . . . 0.0 112.162 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 18.7 t -159.58 -178.43 7.1 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.889 2.076 . . . . 0.0 110.347 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 33.5 t -58.96 -37.75 77.48 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.711 1.204 . . . . 0.0 113.874 -177.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -79.59 -11.12 59.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.107 1.363 . . . . 0.0 114.065 173.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.55 -1.26 21.79 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.98 2.228 . . . . 0.0 116.057 -177.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -57.13 -33.25 67.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.742 1.271 . . . . 0.0 112.314 175.6 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -61.7 -53.27 58.35 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.886 1.274 . . . . 0.0 111.314 177.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.14 -36.72 80.14 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.709 1.604 . . . . 0.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.07 -55.49 10.61 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.093 -1.004 . . . . 0.0 112.346 174.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.21 -50.75 66.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.139 -175.048 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.97 -38.85 92.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.174 0.897 . . . . 0.0 112.332 -178.656 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 34.9 t -67.36 -43.84 80.45 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.74 -44.03 97.7 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.958 -1.089 . . . . 0.0 111.204 174.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.79 -34.24 75.55 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.658 0.783 . . . . 0.0 112.736 174.146 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 t -67.45 -37.77 83.46 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.14 0.882 . . . . 0.0 113.027 171.444 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -73.62 -26.35 60.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 176.367 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.63 149.47 38.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.992 1.317 . . . . 0.0 112.507 176.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.4 t -70.81 161.2 31.36 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.981 1.312 . . . . 0.0 112.916 175.774 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -50.15 -40.91 48.0 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.427 1.491 . . . . 0.0 112.272 169.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -65.6 -42.64 91.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.426 1.09 . . . . 0.0 112.111 177.349 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -69.22 -37.51 78.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.94 1.296 . . . . 0.0 112.444 175.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.47 -44.09 97.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 174.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.91 -42.17 99.7 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.975 -0.453 . . . . 0.0 111.954 171.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.97 70.21 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.161 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.06 -38.0 89.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.657 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.33 84.8 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.278 1.031 . . . . 0.0 112.188 178.015 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.45 -46.3 83.73 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.661 0.784 . . . . 0.0 110.984 175.054 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.86 -48.46 81.62 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.78 -26.24 66.86 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.86 0.754 . . . . 0.0 112.706 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -76.23 -37.27 57.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.48 -36.35 80.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.625 0.77 . . . . 0.0 112.023 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -84.43 -26.32 28.35 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.04 -31.25 58.74 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.358 1.435 . . . . 0.0 113.513 -177.863 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.76 -15.99 62.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -94.28 -0.3 55.13 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.52 1.128 . . . . 0.0 114.0 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -71.18 152.9 42.92 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.133 -0.98 . . . . 0.0 111.848 172.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 117.635 -1.647 . . . . 0.0 114.485 177.49 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 111.439 0.163 . . . . 0.0 111.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.98 -53.13 51.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.968 1.307 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -68.4 -27.42 66.2 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.69 -53.49 21.95 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.805 0.73 . . . . 0.0 112.237 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.4 -30.94 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.613 1.565 . . . . 0.0 113.07 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -70.67 -18.54 62.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.407 1.083 . . . . 0.0 113.7 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.63 -43.27 2.95 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.806 1.193 . . . . 0.0 114.85 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.51 160.16 32.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.85 172.16 7.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.443 1.097 . . . . 0.0 113.789 -171.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -59.71 -29.93 68.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -66.18 -33.04 74.87 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -75.39 -32.97 60.97 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 0.0 111.453 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.24 -46.55 73.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.815 0.846 . . . . 0.0 110.889 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.28 72.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.681 0.793 . . . . 0.0 112.77 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.82 -17.87 64.94 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.6 -25.75 7.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.6 -37.15 56.93 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.152 0.887 . . . . 0.0 112.426 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.43 -124.06 33.79 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.618 1.104 . . . . 0.0 113.768 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -60.21 -31.48 70.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.438 1.095 . . . . 0.0 112.923 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -80.34 1.71 27.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.909 1.284 . . . . 0.0 114.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.17 146.01 49.09 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.003 -1.06 . . . . 0.0 111.196 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.57 HG22 HD21 ' A' ' 70' ' ' ASN . 4.1 tp . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 123.651 0.78 . . . . 0.0 112.883 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -77.7 -45.2 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.35 1.46 . . . . 0.0 112.281 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.78 -45.21 68.52 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.882 0.873 . . . . 0.0 112.202 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.35 -40.0 89.53 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.016 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -65.52 -50.76 64.03 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.921 1.289 . . . . 0.0 111.328 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.95 -37.03 85.42 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.63 -0.669 . . . . 0.0 112.003 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 t -62.37 -45.37 93.47 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.024 0.929 . . . . 0.0 112.586 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -61.85 -55.59 28.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.769 0.713 . . . . 0.0 110.971 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.45 -38.08 68.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -59.88 -27.16 66.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -99.56 -5.39 29.24 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.41 153.76 33.32 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 112.405 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -66.87 155.48 38.25 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 110.902 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -58.16 -36.27 72.77 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 120.726 -1.234 . . . . 0.0 112.095 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.57 HD21 HG22 ' A' ' 32' ' ' ILE . 10.5 m120 -61.18 -41.41 96.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.545 0.612 . . . . 0.0 112.13 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.09 -42.66 80.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.578 1.151 . . . . 0.0 112.226 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.42 -42.96 93.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.192 0.997 . . . . 0.0 112.817 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.84 -42.79 94.64 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.38 72.76 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.38 -37.6 88.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.723 1.147 . . . . 0.0 111.375 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.69 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.153 0.981 . . . . 0.0 112.109 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.82 -44.91 94.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.446 1.098 . . . . 0.0 111.125 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.55 -47.19 87.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.934 0.894 . . . . 0.0 112.935 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.22 -22.51 61.25 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -73.65 -39.61 64.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.777 1.231 . . . . 0.0 112.012 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.48 -36.39 83.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.868 0.867 . . . . 0.0 112.689 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.642 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.76 -45.07 94.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.588 0.755 . . . . 0.0 110.588 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.3 m -62.81 -30.66 71.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.093 0.957 . . . . 0.0 112.927 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -69.5 -49.33 55.64 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.943 0.897 . . . . 0.0 111.916 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.06 -33.93 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.431 1.093 . . . . 0.0 112.407 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.58 -22.67 66.13 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.301 1.041 . . . . 0.0 113.713 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.06 -38.11 5.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.736 1.16 . . . . 0.0 114.957 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.37 174.74 9.85 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.298 1.439 . . . . 0.0 113.564 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 176.39 7.87 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -61.1 -25.04 66.69 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.58 -33.77 76.7 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.553 1.141 . . . . 0.0 112.22 171.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.85 -38.87 31.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.906 1.283 . . . . 0.0 111.821 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.83 -47.94 76.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.407 0.683 . . . . 0.0 111.932 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.02 71.16 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.815 0.734 . . . . 0.0 112.723 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.27 62.71 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.09 -29.57 7.55 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.53 -36.03 52.8 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.374 1.07 . . . . 0.0 112.281 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.75 -121.48 26.0 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.492 1.044 . . . . 0.0 113.095 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -58.25 -38.78 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.372 1.069 . . . . 0.0 112.581 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.84 3.82 21.29 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.67 148.7 37.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.484 -0.76 . . . . 0.0 111.269 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 124.256 1.022 . . . . 0.0 112.319 -172.505 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -70.75 -37.35 73.43 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.319 1.047 . . . . 0.0 112.063 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -74.66 -40.24 61.57 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.199 0.999 . . . . 0.0 112.153 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -62.94 -49.3 75.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.012 0.925 . . . . 0.0 111.067 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.61 -52.05 29.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.889 0.876 . . . . 0.0 112.934 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.0 -28.2 68.05 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 42.1 t -60.82 -45.69 93.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.749 0.82 . . . . 0.0 112.139 172.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -63.77 -46.85 83.39 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.092 0.957 . . . . 0.0 110.81 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.88 -38.11 75.18 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.252 1.021 . . . . 0.0 112.465 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.2 t -71.1 -40.24 71.63 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.495 1.118 . . . . 0.0 112.947 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -64.33 -38.41 90.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.912 1.285 . . . . 0.0 113.142 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 151.22 41.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.401 1.48 . . . . 0.0 114.327 -173.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.6 t -68.29 160.54 29.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.853 1.661 . . . . 0.0 112.201 170.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.89 -36.43 70.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.406 1.082 . . . . 0.0 112.511 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -61.99 -42.98 99.74 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.797 -0.564 . . . . 0.0 112.139 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -70.54 -36.24 73.58 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.008 0.923 . . . . 0.0 112.649 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.14 -41.38 96.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.433 1.093 . . . . 0.0 111.978 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.95 -42.55 97.28 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.12 81.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -35.84 79.49 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.446 -0.784 . . . . 0.0 112.059 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.41 91.64 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.674 0.789 . . . . 0.0 112.064 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.46 -44.83 89.85 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.695 0.798 . . . . 0.0 110.629 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -56.72 -52.66 64.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.298 1.039 . . . . 0.0 112.943 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.3 -27.13 67.68 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.936 0.789 . . . . 0.0 112.984 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.01 -38.21 57.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.582 1.153 . . . . 0.0 112.474 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.69 -38.85 73.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.852 0.861 . . . . 0.0 112.503 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 179.71 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.25 -26.1 67.2 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.656 0.782 . . . . 0.0 112.647 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.0 t -85.44 -44.33 12.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.438 1.095 . . . . 0.0 111.671 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -64.55 -47.63 78.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.477 1.111 . . . . 0.0 113.013 -176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -67.96 -24.17 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.464 1.506 . . . . 0.0 112.307 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.0 -23.66 33.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.149 0.98 . . . . 0.0 113.526 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 -37.05 25.82 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.565 1.079 . . . . 0.0 114.169 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.72 177.26 6.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.113 1.365 . . . . 0.0 113.35 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.93 176.31 7.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.698 1.199 . . . . 0.0 113.82 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.68 -28.66 67.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.142 1.377 . . . . 0.0 114.266 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.02 -37.22 86.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.425 -0.797 . . . . 0.0 112.176 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -73.62 -38.06 65.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.093 0.957 . . . . 0.0 111.664 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.03 -48.16 83.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.286 0.634 . . . . 0.0 111.083 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.94 77.27 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.921 0.782 . . . . 0.0 112.903 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.92 89.13 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.49 -30.44 18.26 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.137 0.975 . . . . 0.0 112.657 171.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 -124.11 34.22 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.904 0.764 . . . . 0.0 112.504 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -57.87 -33.72 68.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.073 0.949 . . . . 0.0 112.646 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.09 2.13 18.9 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.25 139.75 56.66 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.06 -1.025 . . . . 0.0 111.19 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG22 HD21 ' A' ' 70' ' ' ASN . 7.6 tp . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 124.215 1.006 . . . . 0.0 113.038 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -84.75 -39.1 18.86 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.994 1.717 . . . . 0.0 112.309 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -73.23 -48.35 35.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.144 1.778 . . . . 0.0 113.019 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -72.91 -29.27 63.01 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.374 -0.828 . . . . 0.0 112.817 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.9 -52.62 18.94 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.87 1.668 . . . . 0.0 111.189 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.53 -35.67 80.15 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.532 -0.73 . . . . 0.0 112.368 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.1 t -61.34 -33.9 74.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.41 1.084 . . . . 0.0 113.227 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.08 -47.84 26.81 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.85 -1.156 . . . . 0.0 112.072 171.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.04 -29.75 69.91 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -69.84 -27.68 65.06 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.864 1.211 . . . . 0.0 113.313 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -87.44 -36.82 17.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.53 1.532 . . . . 0.0 113.518 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.0 151.12 43.72 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.899 1.28 . . . . 0.0 111.988 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 p -73.27 165.69 24.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.95 0.9 . . . . 0.0 113.368 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.43 -37.41 65.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.287 1.435 . . . . 0.0 112.795 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.436 HD21 HG22 ' A' ' 32' ' ' ILE . 22.0 m120 -70.98 -44.8 65.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.636 0.774 . . . . 0.0 112.449 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.05 -38.75 91.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.157 0.983 . . . . 0.0 111.856 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.39 -44.73 92.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.4 mtm -62.24 -43.35 99.02 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.672 0.669 . . . . 0.0 112.037 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.94 70.86 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.68 -40.25 95.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.114 0.87 . . . . 0.0 111.099 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.92 87.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.464 1.106 . . . . 0.0 112.401 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.94 -46.71 89.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.789 0.722 . . . . 0.0 110.952 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.42 -49.83 76.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.469 0.708 . . . . 0.0 112.623 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.59 -24.54 61.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -74.76 -38.32 62.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.734 1.213 . . . . 0.0 112.477 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -66.82 -36.47 82.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.453 1.101 . . . . 0.0 112.867 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 178.526 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 111.281 0.104 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.03 -42.99 93.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.136 0.975 . . . . 0.0 111.6 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -62.03 -41.68 98.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.147 0.979 . . . . 0.0 112.018 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.87 -48.07 67.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.748 0.819 . . . . 0.0 112.362 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.404 HD13 HD21 ' B' ' 118' ' ' LEU . 22.0 mm -64.56 -29.61 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.699 1.2 . . . . 0.0 113.041 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.78 -22.26 46.62 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.87 -36.3 11.68 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.714 1.149 . . . . 0.0 114.218 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 115' ' ' ILE . 3.1 pp -75.4 176.19 7.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 0.0 113.51 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.09 174.37 8.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.956 1.302 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.44 -29.08 67.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.98 -34.82 79.34 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.252 1.021 . . . . 0.0 112.885 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.98 -36.8 62.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.052 0.941 . . . . 0.0 111.904 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.42 -47.88 84.16 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.019 0.528 . . . . 0.0 110.678 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.87 75.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.7 66.68 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -28.23 10.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.7 -38.96 37.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.851 1.26 . . . . 0.0 112.483 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.13 -120.41 22.52 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.059 1.314 . . . . 0.0 113.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.52 -29.95 69.44 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.256 1.022 . . . . 0.0 113.288 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -88.93 5.25 44.94 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.8 149.95 29.65 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.044 -1.035 . . . . 0.0 111.838 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.455 HG22 HD21 ' B' ' 170' ' ' ASN . 5.0 tp . . . . . 0 N--CA 1.475 0.806 0 C-N-CA 123.273 0.629 . . . . 0.0 112.376 -172.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -63.43 -52.59 60.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.811 1.244 . . . . 0.0 110.887 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.73 -43.8 98.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.528 1.131 . . . . 0.0 112.524 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -65.48 -48.56 72.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.536 0.734 . . . . 0.0 112.473 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.69 -45.22 79.53 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.409 0.684 . . . . 0.0 111.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.47 -39.21 88.67 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.699 -0.626 . . . . 0.0 112.2 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 44.3 t -63.87 -44.58 92.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.548 0.739 . . . . 0.0 112.385 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -60.17 -45.93 91.42 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.449 -0.782 . . . . 0.0 111.958 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.94 -19.13 63.39 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 44.6 t -71.16 -41.86 69.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.313 -1.492 . . . . 0.0 112.054 166.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -78.16 -36.15 48.0 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.31 153.68 40.43 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.1 0.96 . . . . 0.0 112.933 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 29.7 t -67.34 154.74 40.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.814 1.246 . . . . 0.0 112.201 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -56.09 -35.13 66.68 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.786 -1.196 . . . . 0.0 112.13 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.455 HD21 HG22 ' B' ' 132' ' ' ILE . 9.3 m120 -65.81 -38.52 89.2 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.31 -0.869 . . . . 0.0 112.844 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.49 -40.11 77.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.16 -43.75 92.09 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.245 1.418 . . . . 0.0 112.082 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 66.3 mtm -60.02 -46.26 90.07 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.312 0.645 . . . . 0.0 111.56 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.61 67.83 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.33 -38.82 91.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.527 1.058 . . . . 0.0 111.461 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.13 89.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.665 1.186 . . . . 0.0 112.363 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -47.7 68.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.871 0.868 . . . . 0.0 110.863 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -62.25 -46.12 90.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 0.0 112.705 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.83 -28.17 68.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.07 0.85 . . . . 0.0 112.953 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -75.94 -36.14 59.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.168 1.387 . . . . 0.0 112.581 172.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -71.73 -39.59 69.99 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.351 1.06 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.88 -40.17 96.69 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.544 -1.348 . . . . 0.0 111.285 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -69.48 -33.25 72.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.948 0.899 . . . . 0.0 112.847 174.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -69.31 -47.6 64.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.782 0.833 . . . . 0.0 111.821 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -66.01 -31.18 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.164 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -68.95 -29.32 67.53 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.194 0.998 . . . . 0.0 113.513 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -31.28 10.86 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.56 178.33 4.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.217 1.407 . . . . 0.0 114.309 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 169.75 9.5 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.613 1.165 . . . . 0.0 112.882 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.52 -26.74 67.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -173.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.66 -34.34 77.62 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.238 1.015 . . . . 0.0 112.095 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.72 -34.7 62.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.444 1.097 . . . . 0.0 112.275 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.55 -49.48 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.33 72.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.98 65.34 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.1 -27.29 7.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.97 -39.25 66.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.202 0.91 . . . . 0.0 111.509 168.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.54 -121.97 26.44 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.91 1.243 . . . . 0.0 113.077 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.92 -26.14 65.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.04 1.336 . . . . 0.0 113.742 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -93.24 3.69 55.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.145 1.378 . . . . 0.0 114.374 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -57.12 145.14 32.09 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.961 -1.087 . . . . 0.0 112.552 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.474 HG22 HD21 ' A' ' 70' ' ' ASN . 8.4 tp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -168.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -85.8 -44.72 12.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.347 1.459 . . . . 0.0 113.278 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.43 -41.94 99.08 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.503 0.721 . . . . 0.0 112.776 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -71.23 -54.01 12.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.843 0.457 . . . . 0.0 110.771 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.17 -45.02 94.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.48 -34.67 75.86 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.309 -0.869 . . . . 0.0 111.664 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -72.11 -40.78 67.9 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.782 0.833 . . . . 0.0 112.163 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -56.45 -49.82 73.5 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.875 1.216 . . . . 0.0 111.153 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.48 -34.93 78.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.099 0.56 . . . . 0.0 111.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 t -67.65 -32.28 72.86 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -80.74 -26.97 36.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.03 1.332 . . . . 0.0 114.324 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.32 153.02 30.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.176 0.99 . . . . 0.0 112.745 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.1 t -67.16 157.96 32.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.473 1.509 . . . . 0.0 112.671 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -52.97 -36.56 60.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.089 1.356 . . . . 0.0 112.956 170.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.474 HD21 HG22 ' A' ' 32' ' ' ILE . 13.1 m120 -69.88 -42.62 73.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.189 0.596 . . . . 0.0 112.441 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.02 -37.62 88.21 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.212 1.005 . . . . 0.0 112.602 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.04 -45.2 93.63 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.631 1.572 . . . . 0.0 112.595 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 47.5 mtm -60.42 -43.32 96.85 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.875 -0.516 . . . . 0.0 111.818 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.64 -38.59 91.54 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.902 0.774 . . . . 0.0 111.351 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.78 83.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.625 0.77 . . . . 0.0 111.595 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.36 -42.72 96.06 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 0.0 111.285 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.31 -49.44 77.6 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.722 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.72 -26.03 65.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -72.54 -36.91 68.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.556 1.542 . . . . 0.0 112.845 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.57 -37.18 71.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.436 1.095 . . . . 0.0 112.709 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.77 -43.07 94.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.739 0.816 . . . . 0.0 112.212 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.5 m -70.11 -31.03 68.38 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.868 0.867 . . . . 0.0 112.805 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.44 -47.44 41.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.369 -0.832 . . . . 0.0 111.861 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.91 -26.51 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.445 1.498 . . . . 0.0 113.241 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -15.82 55.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 167.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -48.18 4.93 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.192 0.901 . . . . 0.0 113.515 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.45 156.43 35.27 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.038 1.335 . . . . 0.0 112.839 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 176.08 5.27 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.737 1.215 . . . . 0.0 113.614 -171.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -59.48 -30.64 68.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.8 -31.97 72.94 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.055 0.843 . . . . 0.0 113.168 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.59 -34.78 53.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.395 1.078 . . . . 0.0 111.518 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.74 -47.32 81.52 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.325 0.65 . . . . 0.0 110.863 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.23 71.01 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.922 0.783 . . . . 0.0 113.039 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.97 64.87 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.08 -28.83 8.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.96 -37.34 69.95 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.61 1.164 . . . . 0.0 112.032 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.51 25.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.622 1.106 . . . . 0.0 113.227 172.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.52 -23.5 66.99 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.556 1.143 . . . . 0.0 114.007 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.0 5.08 52.75 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.2 1.4 . . . . 0.0 114.279 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.03 149.13 37.88 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.401 -0.812 . . . . 0.0 112.34 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.508 HG22 HD21 ' B' ' 170' ' ' ASN . 6.5 tp . . . . . 0 N--CA 1.477 0.897 0 O-C-N 121.448 -0.783 . . . . 0.0 112.421 -174.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -81.81 -63.08 1.46 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.513 1.925 . . . . 0.0 110.781 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.16 -42.44 93.73 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.71 -33.6 72.73 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.902 -1.124 . . . . 0.0 112.293 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -72.74 -52.3 15.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.009 0.924 . . . . 0.0 110.852 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.35 -39.88 94.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.886 0.874 . . . . 0.0 112.752 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 9.7 t -67.94 -41.73 82.06 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.753 0.706 . . . . 0.0 112.06 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -61.89 -42.22 98.82 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.069 0.849 . . . . 0.0 111.99 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.02 -28.29 69.48 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 t -73.17 -39.48 65.6 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.66 1.118 . . . . 0.0 112.615 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -72.89 -33.94 66.35 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.688 1.595 . . . . 0.0 113.815 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.84 151.81 44.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.791 1.636 . . . . 0.0 112.278 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.0 t -78.21 156.59 29.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.501 1.12 . . . . 0.0 111.263 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.54 -37.86 65.9 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.743 -1.223 . . . . 0.0 112.78 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.508 HD21 HG22 ' B' ' 132' ' ' ILE . 14.2 m120 -59.53 -40.99 89.01 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.361 173.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.58 -37.29 79.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 112.136 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.6 -38.88 92.54 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -59.67 -46.53 88.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.282 0.946 . . . . 0.0 111.124 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.99 66.56 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.96 -39.2 93.6 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.164 0.893 . . . . 0.0 111.865 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.71 -42.26 77.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.922 0.889 . . . . 0.0 112.535 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.47 -45.5 93.99 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.216 -0.927 . . . . 0.0 110.693 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -60.82 -48.1 83.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.734 0.814 . . . . 0.0 112.862 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.89 -25.98 64.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.324 0.966 . . . . 0.0 112.658 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -75.08 -33.71 61.69 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.987 1.315 . . . . 0.0 112.889 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.96 -38.32 69.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.089 0.956 . . . . 0.0 112.469 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 . . . . . 0 CA--C 1.539 0.537 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.82 -47.11 87.86 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.805 1.184 . . . . 0.0 110.712 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 m -65.83 -34.75 78.86 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 112.658 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -68.32 -47.38 67.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.711 0.804 . . . . 0.0 112.016 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.82 -29.87 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.603 1.161 . . . . 0.0 112.559 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.55 -20.15 57.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.34 -29.34 14.65 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.734 1.159 . . . . 0.0 115.373 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.91 -177.92 4.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.53 1.532 . . . . 0.0 114.138 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.39 171.42 12.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.725 1.21 . . . . 0.0 113.112 175.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -59.75 -27.69 66.72 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -171.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.53 -33.98 77.17 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.907 0.883 . . . . 0.0 112.272 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.12 -38.05 72.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.296 1.038 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.49 -46.83 78.2 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.765 0.826 . . . . 0.0 111.307 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -33.5 70.84 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.71 63.81 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.54 -27.19 8.68 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mp -78.37 -38.36 42.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.497 1.119 . . . . 0.0 112.067 171.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.42 -125.51 39.75 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.785 1.183 . . . . 0.0 113.427 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -59.51 -24.32 63.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.292 1.437 . . . . 0.0 113.498 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -92.53 9.86 32.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.118 1.367 . . . . 0.0 114.144 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -61.32 140.84 57.92 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.819 -1.175 . . . . 0.0 111.293 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 N--CA 1.476 0.852 0 O-C-N 121.378 -0.826 . . . . 0.0 113.214 -172.198 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -78.18 -42.54 31.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.829 1.652 . . . . 0.0 112.694 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -71.51 -47.94 52.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.22 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.27 -22.84 64.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 112.881 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -82.53 -56.29 3.96 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.989 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.7 -34.57 78.17 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.1 p -64.75 -34.84 79.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.584 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -72.98 -48.89 32.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.397 1.079 . . . . 0.0 110.663 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.32 -41.6 69.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.388 0.675 . . . . 0.0 112.24 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -67.7 -36.99 81.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -86.27 -25.18 25.66 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.98 153.55 40.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.73 1.212 . . . . 0.0 111.956 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -62.89 158.02 20.1 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.626 1.17 . . . . 0.0 111.912 171.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.161 -0.962 . . . . 0.0 111.918 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -64.97 -42.65 94.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.943 0.897 . . . . 0.0 112.327 171.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.7 -37.96 79.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.207 1.003 . . . . 0.0 111.979 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.47 -43.17 97.2 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 111.968 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.6 mtm -62.78 -42.72 99.82 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.97 68.81 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.57 -39.79 94.38 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.591 1.087 . . . . 0.0 112.017 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.4 83.64 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.336 1.054 . . . . 0.0 112.371 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -46.63 67.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.625 -0.672 . . . . 0.0 111.304 174.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.37 -47.8 84.51 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.64 -28.88 69.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.874 0.761 . . . . 0.0 112.959 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.31 -41.57 63.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.176 0.99 . . . . 0.0 111.697 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.72 -37.97 79.86 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.191 0.997 . . . . 0.0 112.075 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 178.763 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.29 -50.83 71.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.772 1.169 . . . . 0.0 111.443 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 78.2 p -70.48 -28.51 65.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.674 0.79 . . . . 0.0 112.972 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.35 -54.86 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.008 0.923 . . . . 0.0 111.52 173.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -61.39 -34.03 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.582 1.553 . . . . 0.0 112.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -70.61 -21.86 62.6 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.38 -39.99 5.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.952 1.263 . . . . 0.0 114.7 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.4 176.09 10.01 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.533 1.133 . . . . 0.0 113.953 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 173.66 6.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.231 1.412 . . . . 0.0 113.567 -171.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.76 -30.28 67.4 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.004 1.321 . . . . 0.0 114.312 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -65.31 -35.96 82.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.476 0.71 . . . . 0.0 112.044 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.98 -30.42 50.18 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.054 0.942 . . . . 0.0 112.434 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.02 -47.97 72.68 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.319 0.648 . . . . 0.0 110.64 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.63 -29.8 69.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.15 -17.94 65.07 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.49 -25.56 5.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.49 -34.28 67.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.927 0.891 . . . . 0.0 112.326 168.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.98 -140.6 45.74 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.928 1.251 . . . . 0.0 113.095 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -64.05 -16.72 62.32 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.147 0.979 . . . . 0.0 113.476 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.09 -0.02 38.12 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.286 1.434 . . . . 0.0 113.654 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -56.22 143.49 33.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.787 -1.196 . . . . 0.0 112.835 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.516 HG22 HD21 ' B' ' 170' ' ' ASN . 6.3 tp . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -167.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -80.17 -42.32 23.62 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.161 1.784 . . . . 0.0 112.387 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -70.69 -42.96 70.0 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.483 1.113 . . . . 0.0 112.543 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -64.19 -35.23 80.1 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.408 0.683 . . . . 0.0 112.359 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.9 -53.05 16.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.364 1.466 . . . . 0.0 111.952 174.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 63.1 tp -58.59 -37.0 74.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.262 1.025 . . . . 0.0 112.699 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 57.8 m -64.29 -20.8 66.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -86.17 -47.69 9.25 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.39 0.995 . . . . 0.0 111.237 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.13 -28.41 69.09 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.8 p -68.36 -27.87 66.63 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.409 1.004 . . . . 0.0 113.519 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.83 -34.04 17.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.261 1.824 . . . . 0.0 113.97 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.79 156.85 26.03 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.951 1.301 . . . . 0.0 112.358 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.9 t -68.55 156.79 37.36 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.677 1.191 . . . . 0.0 111.583 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -61.56 -34.02 74.86 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.922 -1.111 . . . . 0.0 112.008 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.516 HD21 HG22 ' B' ' 132' ' ' ILE . 35.8 m120 -63.27 -42.12 99.08 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.482 -0.761 . . . . 0.0 112.436 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.67 -39.03 90.9 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.682 0.793 . . . . 0.0 111.643 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.68 -45.1 95.44 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.962 0.905 . . . . 0.0 113.052 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -56.7 -48.33 77.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.175 0.898 . . . . 0.0 111.451 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.99 65.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.93 -36.87 84.54 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.061 0.846 . . . . 0.0 111.64 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.82 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.7 0.8 . . . . 0.0 111.71 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.86 -44.24 97.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.331 -0.855 . . . . 0.0 111.128 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -60.5 -50.21 74.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.141 0.976 . . . . 0.0 112.902 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.92 -26.41 65.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -75.31 -33.24 61.15 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.855 1.262 . . . . 0.0 112.424 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.64 -42.08 71.32 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.63 1.172 . . . . 0.0 112.302 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -177.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.52 -43.11 91.05 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.572 1.149 . . . . 0.0 111.109 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.9 t -64.35 -38.24 90.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.983 0.513 . . . . 0.0 112.326 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.19 -45.97 75.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.529 -0.732 . . . . 0.0 112.545 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.67 -26.6 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.771 1.228 . . . . 0.0 113.223 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -84.49 -21.45 30.61 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.858 -1.151 . . . . 0.0 113.921 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.39 -27.91 28.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.707 1.146 . . . . 0.0 115.303 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.66 179.84 3.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.103 1.761 . . . . 0.0 114.042 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.63 168.68 11.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.362 1.465 . . . . 0.0 112.418 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -60.81 -23.16 64.85 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.06 -32.84 74.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.491 1.116 . . . . 0.0 112.431 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -74.37 -33.75 63.16 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.419 1.088 . . . . 0.0 112.111 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.06 -47.02 78.82 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.078 0.551 . . . . 0.0 110.644 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.79 70.94 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.618 -0.676 . . . . 0.0 112.739 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.16 64.16 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.91 -27.54 5.37 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.81 -34.77 62.43 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.524 1.13 . . . . 0.0 111.77 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 -128.27 46.58 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.72 1.152 . . . . 0.0 113.103 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.19 -19.14 62.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.558 1.143 . . . . 0.0 113.907 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -94.36 8.53 41.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.192 1.397 . . . . 0.0 114.275 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.65 149.09 36.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.388 -0.82 . . . . 0.0 110.98 167.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.486 HG22 HD21 ' A' ' 70' ' ' ASN . 5.5 tp . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.221 0.608 . . . . 0.0 112.351 -172.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.13 -51.85 6.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.844 1.658 . . . . 0.0 111.184 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -64.55 -53.7 43.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.391 1.476 . . . . 0.0 112.719 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.55 -45.16 88.31 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.282 0.633 . . . . 0.0 111.959 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.81 -54.06 47.41 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.143 0.577 . . . . 0.0 111.763 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.92 -38.39 88.24 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.683 -0.636 . . . . 0.0 112.234 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -58.02 -58.42 8.48 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.403 0.681 . . . . 0.0 111.23 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -65.32 -36.59 84.51 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.84 -31.69 65.02 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.957 0.799 . . . . 0.0 112.545 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 t -71.38 -24.74 62.13 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -82.27 -30.53 30.6 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.8 1.24 . . . . 0.0 112.608 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.0 156.54 38.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.822 1.249 . . . . 0.0 112.922 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 160.4 31.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.656 1.182 . . . . 0.0 112.572 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.43 -37.11 79.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.188 -0.945 . . . . 0.0 112.249 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.486 HD21 HG22 ' A' ' 32' ' ' ILE . 7.7 m120 -64.91 -41.05 95.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 111.691 175.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.86 -40.28 87.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.944 0.898 . . . . 0.0 112.253 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.77 -45.45 89.78 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.686 1.194 . . . . 0.0 112.079 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.93 -40.24 97.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.705 0.684 . . . . 0.0 112.419 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.35 63.81 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.68 -38.05 89.69 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.11 -0.994 . . . . 0.0 110.799 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.07 85.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.916 0.886 . . . . 0.0 112.608 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 -45.49 77.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.767 0.827 . . . . 0.0 111.328 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -60.73 -45.17 95.27 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.245 -0.909 . . . . 0.0 112.494 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.38 -22.67 61.1 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -74.23 -32.3 62.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.587 1.085 . . . . 0.0 112.732 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.64 -32.18 62.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.205 1.002 . . . . 0.0 112.796 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.259 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 . . . . . 0 CA--C 1.536 0.431 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.93 -46.03 92.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.396 1.078 . . . . 0.0 111.29 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.3 m -72.48 -29.97 64.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.008 0.923 . . . . 0.0 113.226 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.97 -45.51 85.38 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.241 -0.912 . . . . 0.0 112.144 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.71 -30.73 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.462 1.505 . . . . 0.0 112.783 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -74.47 -27.99 60.82 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 169.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.68 -42.53 31.8 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 123.635 0.636 . . . . 0.0 113.663 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.69 164.53 25.2 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.986 1.315 . . . . 0.0 113.249 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.3 177.72 4.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.469 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -58.88 -30.97 68.16 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.1 -33.84 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.627 0.771 . . . . 0.0 112.132 174.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -75.88 -38.16 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.842 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.64 -48.47 81.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.172 0.589 . . . . 0.0 110.931 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.99 -34.88 76.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.7 71.78 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.86 -28.86 39.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.14 -61.24 2.01 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.12 0.873 . . . . 0.0 111.749 169.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.5 110.2 0.04 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.04 1.305 . . . . 0.0 113.996 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 62.21 -38.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 129.307 3.043 . . . . 0.0 116.688 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.09 -3.54 45.87 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.782 1.633 . . . . 0.0 114.052 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.93 146.67 13.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.71 0.804 . . . . 0.0 110.221 161.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.541 HG22 HD21 ' B' ' 170' ' ' ASN . 7.3 tp . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -168.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -74.24 -47.06 37.61 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.683 1.993 . . . . 0.0 111.466 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.18 -49.75 70.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.83 1.252 . . . . 0.0 112.219 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -62.88 -45.89 90.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.058 0.943 . . . . 0.0 111.832 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.7 -54.66 39.63 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.396 1.078 . . . . 0.0 111.572 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.58 -36.73 81.51 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.339 -0.851 . . . . 0.0 112.622 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.4 t -62.11 -48.62 79.34 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.23 1.012 . . . . 0.0 111.66 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.78 -41.68 95.65 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.352 -0.843 . . . . 0.0 111.877 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.47 -28.93 68.72 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 11.2 p -72.47 -28.95 63.23 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.496 1.043 . . . . 0.0 113.366 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -74.71 -42.12 58.94 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.496 1.519 . . . . 0.0 112.655 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.86 140.47 58.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.178 0.991 . . . . 0.0 111.607 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 31.6 t -72.65 164.42 26.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.737 1.615 . . . . 0.0 112.897 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' B' ' 132' ' ' ILE . 65.8 tttt -52.35 -42.57 64.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.552 -1.343 . . . . 0.0 113.1 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.541 HD21 HG22 ' B' ' 132' ' ' ILE . 10.1 m120 -63.77 -37.26 86.69 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.179 0.992 . . . . 0.0 112.25 176.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.43 -38.0 71.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.62 1.168 . . . . 0.0 112.204 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.0 -40.41 89.13 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.808 0.843 . . . . 0.0 112.046 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.5 mtm -66.12 -43.96 85.65 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.895 -0.503 . . . . 0.0 111.781 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.26 76.8 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.19 -39.88 94.91 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.373 -0.83 . . . . 0.0 111.06 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.97 85.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.279 1.032 . . . . 0.0 111.771 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.11 -45.13 94.83 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.786 0.834 . . . . 0.0 111.599 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.57 -52.16 66.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.151 0.98 . . . . 0.0 112.303 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -24.89 63.26 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -74.1 -39.01 63.68 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.748 1.619 . . . . 0.0 111.982 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.73 -39.51 73.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.379 1.072 . . . . 0.0 112.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.513 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.0 -43.54 95.14 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.999 1.272 . . . . 0.0 111.094 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -66.2 -38.64 88.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.625 0.77 . . . . 0.0 112.293 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -66.05 -48.81 69.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.877 0.871 . . . . 0.0 112.085 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.6 mm -69.9 -31.34 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.935 1.294 . . . . 0.0 112.254 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -69.67 -26.35 64.34 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.075 -1.016 . . . . 0.0 113.692 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.47 -29.33 16.92 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.03 -177.93 4.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.193 1.797 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.47 172.47 11.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.53 1.532 . . . . 0.0 113.535 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.41 -27.85 67.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -65.81 -32.14 73.5 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.255 -0.903 . . . . 0.0 112.366 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -73.79 -32.91 64.0 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.613 1.165 . . . . 0.0 111.981 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.66 -46.13 66.81 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.654 0.782 . . . . 0.0 111.505 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.71 70.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.538 -0.726 . . . . 0.0 112.958 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -16.85 64.58 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.04 -28.02 5.22 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.43 -37.96 71.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 111.876 170.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.86 -122.5 28.93 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.574 1.083 . . . . 0.0 113.728 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.13 -27.0 65.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.187 1.395 . . . . 0.0 113.415 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -92.94 7.14 45.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.879 1.671 . . . . 0.0 114.084 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 149.33 40.16 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.543 -1.348 . . . . 0.0 112.459 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.453 HG22 HD21 ' A' ' 70' ' ' ASN . 5.6 tp . . . . . 0 CA--C 1.546 0.805 0 C-N-CA 123.983 0.913 . . . . 0.0 113.076 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.89 0.376 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.83 -49.56 72.33 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.333 1.853 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -64.41 -42.97 95.78 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.854 0.862 . . . . 0.0 112.672 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -51.55 68.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.299 1.04 . . . . 0.0 111.142 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -65.18 -48.36 73.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.419 -0.8 . . . . 0.0 112.1 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -66.54 -32.27 73.51 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.27 -0.894 . . . . 0.0 112.734 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -62.41 -50.31 72.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.361 0.664 . . . . 0.0 111.52 171.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -58.14 -47.67 82.59 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.553 -0.717 . . . . 0.0 111.725 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.75 -19.7 64.35 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -74.76 -41.57 59.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.327 -1.483 . . . . 0.0 112.007 166.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -76.5 -38.34 55.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.755 1.622 . . . . 0.0 114.621 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.63 157.73 33.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.473 1.509 . . . . 0.0 112.691 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.041 1.336 . . . . 0.0 111.7 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -53.72 -35.72 61.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.86 -1.15 . . . . 0.0 112.119 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.453 HD21 HG22 ' A' ' 32' ' ' ILE . 10.6 m120 -64.43 -39.27 93.5 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.813 0.845 . . . . 0.0 112.211 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.76 -40.55 79.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.036 0.934 . . . . 0.0 111.931 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.1 -40.95 95.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.154 0.888 . . . . 0.0 112.461 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 53.0 mtm -59.86 -44.97 93.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.902 0.774 . . . . 0.0 112.045 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.76 64.96 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.97 -36.92 85.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.669 1.122 . . . . 0.0 111.188 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.94 88.21 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.793 0.837 . . . . 0.0 111.55 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -45.9 91.8 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.53 -47.02 85.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.782 0.833 . . . . 0.0 113.123 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.73 -28.49 67.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.15 0.886 . . . . 0.0 112.383 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -74.52 -31.51 62.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.53 1.132 . . . . 0.0 113.099 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -74.5 -39.04 62.67 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.515 1.126 . . . . 0.0 112.312 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 N--CA 1.47 0.551 0 O-C-N 121.423 -0.798 . . . . 0.0 113.131 -178.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.8 -38.99 83.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.561 0.744 . . . . 0.0 111.905 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.2 m -63.11 -28.78 70.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -78.3 -48.38 15.8 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.26 -0.9 . . . . 0.0 111.275 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.2 mm -66.14 -31.34 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.981 1.312 . . . . 0.0 113.017 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.63 -21.93 57.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.672 1.189 . . . . 0.0 113.423 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.73 -38.7 9.3 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.532 1.063 . . . . 0.0 114.399 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -75.13 176.08 7.63 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.487 1.515 . . . . 0.0 113.494 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 178.15 7.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.251 1.02 . . . . 0.0 113.373 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -58.92 -29.39 67.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.688 1.195 . . . . 0.0 114.158 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.02 -34.27 78.03 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.588 -0.695 . . . . 0.0 112.586 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -77.13 -39.44 49.34 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.765 1.226 . . . . 0.0 111.481 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.31 -47.46 85.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.832 0.853 . . . . 0.0 110.916 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.5 77.84 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.7 79.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.412 0.685 . . . . 0.0 112.605 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.27 -29.73 28.18 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.52 -41.05 40.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.398 1.079 . . . . 0.0 111.861 171.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.8 -128.9 41.14 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.883 0.754 . . . . 0.0 113.164 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -8.81 19.0 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -101.07 10.34 41.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.693 1.597 . . . . 0.0 113.324 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.43 151.76 23.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.81 1.244 . . . . 0.0 112.781 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 tp . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 113.345 -169.55 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.11 -36.45 81.95 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.177 1.391 . . . . 0.0 112.542 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -73.17 -49.6 27.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.334 1.054 . . . . 0.0 111.293 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.05 -21.08 63.2 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -80.53 -58.08 3.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.926 0.89 . . . . 0.0 111.196 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.37 -39.27 92.62 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 88.8 p -65.77 -29.47 69.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -74.24 -46.7 39.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.87 -1.144 . . . . 0.0 111.724 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.22 -30.23 70.31 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.7 p -71.32 -27.56 63.47 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -91.22 -29.69 17.07 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.859 1.664 . . . . 0.0 113.624 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.32 151.05 47.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.277 1.431 . . . . 0.0 111.985 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 54.1 p -73.1 167.72 20.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.118 0.967 . . . . 0.0 113.185 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -56.44 -39.2 72.72 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.698 1.199 . . . . 0.0 112.305 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -68.32 -41.52 80.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.756 1.223 . . . . 0.0 113.115 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.22 -37.53 83.75 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.009 0.822 . . . . 0.0 112.222 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.35 -40.21 95.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.701 1.2 . . . . 0.0 112.277 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 37.1 mtm -59.86 -50.76 72.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.46 0.573 . . . . 0.0 111.55 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.24 87.0 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.43 -40.56 95.98 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.56 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.85 85.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.08 0.952 . . . . 0.0 111.865 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -48.24 78.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.937 0.895 . . . . 0.0 110.733 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.9 -49.31 78.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.927 0.891 . . . . 0.0 112.79 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.33 -25.61 64.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.738 0.699 . . . . 0.0 112.609 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -77.22 -40.0 46.55 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.907 0.883 . . . . 0.0 112.266 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.28 -34.94 79.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.879 0.871 . . . . 0.0 112.666 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.46 79.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.24 0.616 . . . . 0.0 111.101 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -63.92 -35.9 82.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.226 1.011 . . . . 0.0 112.69 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.49 -48.87 63.31 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.936 0.895 . . . . 0.0 111.629 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.1 mm -65.16 -32.16 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.689 1.196 . . . . 0.0 112.549 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.76 -30.18 67.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.72 -31.28 15.93 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.56 179.2 6.1 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.792 1.237 . . . . 0.0 114.294 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.19 168.21 12.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.731 1.612 . . . . 0.0 112.69 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -167.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -64.2 -31.61 72.87 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.21 -0.931 . . . . 0.0 112.722 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.87 -25.72 40.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.513 1.125 . . . . 0.0 112.347 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.39 -49.76 52.34 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.704 0.802 . . . . 0.0 110.067 167.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.46 -29.69 66.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.037 0.935 . . . . 0.0 113.443 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.27 65.24 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.38 -26.19 5.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -72.59 -36.38 68.14 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.238 1.015 . . . . 0.0 112.196 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.5 -129.4 49.55 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.702 1.144 . . . . 0.0 113.281 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.01 -35.74 73.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 112.542 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -77.09 5.05 8.86 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 113.375 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.75 137.92 57.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.215 -0.928 . . . . 0.0 111.261 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.479 HG22 HD21 ' A' ' 70' ' ' ASN . 3.7 tp . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 123.9 0.88 . . . . 0.0 112.888 -169.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.34 -42.13 75.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.954 1.302 . . . . 0.0 111.766 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.34 -42.62 79.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.049 0.94 . . . . 0.0 111.518 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.63 -38.22 80.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.774 1.229 . . . . 0.0 112.311 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -74.01 -55.69 5.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.202 1.001 . . . . 0.0 111.924 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.54 -33.27 75.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.393 1.077 . . . . 0.0 113.76 -171.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 m -63.09 -31.17 72.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.527 -0.733 . . . . 0.0 112.719 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -72.56 -49.12 34.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.153 0.981 . . . . 0.0 110.51 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.54 -36.93 79.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.625 0.77 . . . . 0.0 112.478 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.5 p -67.97 -26.57 66.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.355 0.979 . . . . 0.0 113.448 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -86.44 -33.97 20.26 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.799 1.64 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 153.53 39.86 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.481 1.112 . . . . 0.0 111.571 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 t -76.04 160.6 29.65 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.194 0.998 . . . . 0.0 111.703 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HE2' HD13 ' A' ' 32' ' ' ILE . 62.2 tttt -56.53 -40.25 74.75 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.843 -1.16 . . . . 0.0 112.353 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.479 HD21 HG22 ' A' ' 32' ' ' ILE . 19.3 m120 -60.77 -39.58 89.35 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.55 -0.719 . . . . 0.0 112.566 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.63 -38.92 80.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.181 0.993 . . . . 0.0 111.972 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.3 -47.19 87.07 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.496 0.718 . . . . 0.0 111.82 173.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mtp -60.21 -38.17 82.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.39 -44.52 44.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.36 -39.72 92.66 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.81 1.187 . . . . 0.0 111.512 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.27 83.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.31 1.044 . . . . 0.0 112.558 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.34 -49.98 61.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.249 1.02 . . . . 0.0 110.89 173.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.69 -46.64 86.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.645 0.778 . . . . 0.0 112.896 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.06 -27.99 66.99 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.82 -33.38 57.97 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.507 1.049 . . . . 0.0 112.212 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.67 -34.75 58.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.394 1.077 . . . . 0.0 112.418 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.711 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -34.25 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.516 1.126 . . . . 0.0 112.631 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.8 t -66.6 -34.13 77.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 0.0 112.201 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.56 -43.56 66.14 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.485 -0.759 . . . . 0.0 111.851 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.72 -33.7 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.31 1.044 . . . . 0.0 112.74 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.773 0.829 . . . . 0.0 113.219 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.64 -31.59 8.68 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.149 1.22 . . . . 0.0 116.149 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.56 171.97 10.44 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.41 167.86 9.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.081 1.353 . . . . 0.0 113.009 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -63.01 -23.56 67.51 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.28 -32.56 74.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.98 0.809 . . . . 0.0 112.421 169.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.17 -32.42 56.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.217 1.007 . . . . 0.0 112.032 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.65 -51.88 65.5 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.168 0.587 . . . . 0.0 110.373 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.34 70.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.705 0.802 . . . . 0.0 113.057 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.75 66.62 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.86 -25.85 8.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.16 -36.22 64.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.449 1.1 . . . . 0.0 112.144 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.7 51.57 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.168 0.889 . . . . 0.0 113.268 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -16.85 63.99 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -83.17 1.57 39.87 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 169.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -53.71 140.59 29.03 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.94 -1.1 . . . . 0.0 111.393 172.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -165.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -65.68 -39.97 91.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.138 1.375 . . . . 0.0 112.44 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.68 -41.73 59.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.435 1.094 . . . . 0.0 112.421 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.6 -42.74 98.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.59 1.156 . . . . 0.0 111.425 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.61 -49.74 69.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.78 1.232 . . . . 0.0 112.151 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 67.3 tp -60.03 -41.42 92.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.106 0.963 . . . . 0.0 112.848 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 63.5 m -63.03 -43.23 99.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.343 0.657 . . . . 0.0 112.014 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -62.52 -50.83 69.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.321 1.048 . . . . 0.0 111.698 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.1 -35.43 78.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.618 0.767 . . . . 0.0 112.334 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.6 t -63.24 -35.5 80.53 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.588 0.755 . . . . 0.0 112.891 172.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -84.78 -32.67 23.26 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 154.23 25.13 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.325 1.45 . . . . 0.0 113.48 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.4 t -61.35 154.73 23.19 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.55 1.14 . . . . 0.0 111.916 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.01 -30.17 70.14 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.981 -1.075 . . . . 0.0 111.817 170.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.76 -40.22 76.24 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.677 0.791 . . . . 0.0 112.911 171.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.251 1.02 . . . . 0.0 111.9 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.97 -39.49 78.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.919 1.288 . . . . 0.0 112.165 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.07 -42.76 79.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.175 0.59 . . . . 0.0 112.584 171.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.19 69.8 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.42 -38.84 92.42 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.486 1.039 . . . . 0.0 111.212 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.82 86.82 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.163 0.985 . . . . 0.0 111.854 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.54 70.61 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.752 0.821 . . . . 0.0 110.715 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.43 -45.18 95.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.852 0.861 . . . . 0.0 113.053 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.98 -29.33 68.33 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.284 0.947 . . . . 0.0 113.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -76.51 -33.62 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.266 1.026 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.02 -36.75 78.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.453 1.101 . . . . 0.0 112.77 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.81 -47.88 84.36 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.106 1.321 . . . . 0.0 110.479 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 m -65.8 -33.5 76.01 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.127 0.971 . . . . 0.0 112.535 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.39 -47.57 63.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.783 -0.573 . . . . 0.0 112.455 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -67.21 -27.39 39.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 124.983 1.313 . . . . 0.0 112.395 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.3 -43.54 85.97 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.952 -1.092 . . . . 0.0 112.446 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.55 -24.76 35.04 Favored Glycine 0 CA--C 1.537 1.412 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -168.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.57 -179.91 1.88 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.066 1.346 . . . . 0.0 113.866 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.3 171.59 9.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.72 1.208 . . . . 0.0 112.842 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -60.05 -25.72 65.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -65.26 -33.95 77.19 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.38 1.072 . . . . 0.0 112.328 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -73.82 -39.66 63.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.545 1.138 . . . . 0.0 111.762 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.36 -45.94 92.3 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.363 0.665 . . . . 0.0 111.054 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.44 73.98 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.22 78.48 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.243 0.929 . . . . 0.0 113.14 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.49 -30.76 14.86 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.87 -35.48 43.75 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.25 1.02 . . . . 0.0 111.765 170.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.67 -127.79 37.13 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.009 0.814 . . . . 0.0 112.933 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -57.56 -27.01 62.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.511 1.525 . . . . 0.0 113.477 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -95.38 5.56 51.32 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.338 1.455 . . . . 0.0 114.044 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.42 137.83 58.09 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.995 -1.066 . . . . 0.0 111.861 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 70' ' ' ASN . 2.3 tp . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 123.212 0.605 . . . . 0.0 111.417 -176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CZ2' ' HE2' ' A' ' 57' ' ' LYS . 42.3 p-90 . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE2' ' CZ2' ' A' ' 56' ' ' TRP . 14.8 ptpt -84.76 -45.93 11.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.095 1.358 . . . . 0.0 112.358 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.74 -49.06 50.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.414 1.086 . . . . 0.0 112.477 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.64 -27.93 64.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.265 0.626 . . . . 0.0 112.256 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -74.0 -55.37 6.23 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.518 1.127 . . . . 0.0 111.184 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.98 -34.39 77.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.233 0.613 . . . . 0.0 112.239 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.92 0.888 . . . . 0.0 112.298 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.85 -42.81 94.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.062 -1.024 . . . . 0.0 112.109 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.2 -28.8 69.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.7 0.682 . . . . 0.0 112.385 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 p -71.94 -28.94 63.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.549 1.068 . . . . 0.0 113.795 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.09 -44.88 52.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.664 1.186 . . . . 0.0 112.44 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 148.41 51.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.027 1.331 . . . . 0.0 112.739 -172.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -72.97 169.8 16.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.481 1.113 . . . . 0.0 113.66 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -47.94 -51.4 23.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.872 1.669 . . . . 0.0 112.364 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.425 HD21 HG22 ' A' ' 32' ' ' ILE . 12.8 m120 -66.71 -39.81 88.21 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.388 1.075 . . . . 0.0 111.985 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.83 -40.11 87.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.452 0.701 . . . . 0.0 112.661 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.93 -45.44 92.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.526 1.13 . . . . 0.0 112.092 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 mtp -62.72 -40.24 96.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.026 0.53 . . . . 0.0 112.42 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.26 61.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.22 -38.08 89.29 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.182 -0.949 . . . . 0.0 111.387 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.09 92.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.208 1.003 . . . . 0.0 112.11 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.86 -47.28 84.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.145 0.578 . . . . 0.0 111.371 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -60.83 -45.84 92.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.005 0.922 . . . . 0.0 113.106 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.97 -25.94 62.94 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.112 0.869 . . . . 0.0 113.311 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -71.15 -37.03 72.25 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.242 0.928 . . . . 0.0 112.359 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.79 -38.0 82.76 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.468 1.107 . . . . 0.0 112.878 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 123.607 0.763 . . . . 0.0 112.729 177.622 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 . . . . . 0 CA--C 1.547 0.863 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.63 -56.16 3.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.218 1.007 . . . . 0.0 111.378 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.5 p -69.35 -27.47 65.37 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.69 -43.78 71.77 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.076 -1.015 . . . . 0.0 111.492 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.403 HD13 HD21 ' B' ' 118' ' ' LEU . 37.9 mm -66.64 -31.19 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.105 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.76 -28.78 66.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 170.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -87.27 -32.38 14.11 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.483 1.04 . . . . 0.0 115.646 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.403 HD21 HD13 ' B' ' 115' ' ' ILE . 2.2 pp -75.05 -179.05 4.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.784 1.634 . . . . 0.0 113.732 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.65 175.8 8.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.022 1.329 . . . . 0.0 113.089 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -61.16 -25.51 67.06 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -65.95 -34.52 78.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.087 0.955 . . . . 0.0 112.168 172.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -75.89 -37.93 58.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.256 1.022 . . . . 0.0 111.863 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -47.01 85.45 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.64 -0.662 . . . . 0.0 111.517 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.84 76.69 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.06 68.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -29.44 11.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.7 -38.84 58.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.315 1.046 . . . . 0.0 111.923 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.74 -124.82 37.41 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.165 0.888 . . . . 0.0 112.816 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.03 -26.43 66.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.919 1.288 . . . . 0.0 113.658 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -87.82 1.95 52.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.812 1.245 . . . . 0.0 113.863 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.74 146.02 43.01 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.277 -0.889 . . . . 0.0 112.6 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.432 HG22 HD21 ' B' ' 170' ' ' ASN . 5.7 tp . . . . . 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 112.483 -172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.82 -39.55 63.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.751 1.22 . . . . 0.0 112.123 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.95 -51.71 68.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.785 1.234 . . . . 0.0 111.942 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.85 -50.91 64.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.536 0.734 . . . . 0.0 111.417 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -59.45 -48.52 81.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.551 0.74 . . . . 0.0 112.439 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.289 -0.882 . . . . 0.0 112.415 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 49.5 m -69.42 -19.54 63.8 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -79.16 -53.23 7.19 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.194 1.398 . . . . 0.0 110.533 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.66 -26.83 68.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.283 1.033 . . . . 0.0 113.242 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 84.8 p -65.3 -28.46 69.33 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.648 -1.283 . . . . 0.0 113.195 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -80.92 -42.99 20.49 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.884 1.273 . . . . 0.0 113.688 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.47 148.21 52.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.654 1.581 . . . . 0.0 112.405 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 57.0 p -69.59 162.38 27.71 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.373 1.069 . . . . 0.0 112.781 175.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.15 -35.83 65.15 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.209 -0.932 . . . . 0.0 112.917 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.432 HD21 HG22 ' B' ' 132' ' ' ILE . 10.2 m120 -66.06 -44.67 83.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.052 0.941 . . . . 0.0 111.865 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.25 -38.36 87.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.786 0.834 . . . . 0.0 112.843 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.43 -44.32 95.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 111.691 174.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 62.5 mtm -61.38 -43.46 98.83 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 170.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.34 68.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.3 -40.57 97.71 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.335 0.97 . . . . 0.0 111.824 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.76 93.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.578 1.151 . . . . 0.0 112.84 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.99 -46.53 71.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.727 . . . . 0.0 110.784 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -58.96 -49.93 76.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.737 0.815 . . . . 0.0 112.534 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.56 -27.25 66.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.95 -43.37 54.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.087 0.955 . . . . 0.0 112.037 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.53 -38.21 88.98 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.841 0.856 . . . . 0.0 112.012 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? . . . . . 0 CA--C 1.542 0.644 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.62 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.14 -44.67 91.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.231 1.012 . . . . 0.0 111.152 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 p -65.13 -31.75 73.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.7 -53.07 9.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.617 1.167 . . . . 0.0 112.007 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.57 -32.75 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.159 1.384 . . . . 0.0 113.375 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.11 -19.88 61.73 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.036 -1.04 . . . . 0.0 113.539 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.4 -28.28 20.22 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.864 1.221 . . . . 0.0 115.083 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.99 175.05 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.742 1.617 . . . . 0.0 113.777 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.42 175.23 8.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 113.512 -169.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -55.66 -32.06 62.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 114.322 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.95 -37.36 86.76 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.568 1.147 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.07 -39.04 42.93 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.893 1.277 . . . . 0.0 111.987 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.03 -46.69 88.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.57 0.748 . . . . 0.0 111.625 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.47 78.06 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.78 77.96 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -29.76 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.2 -53.55 9.59 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.05 0.841 . . . . 0.0 111.757 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.62 100.68 0.06 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.297 1.427 . . . . 0.0 114.039 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 62.5 -35.63 0.12 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 128.667 2.787 . . . . 0.0 117.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.05 -2.78 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.907 1.683 . . . . 0.0 113.787 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -58.76 152.6 18.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.155 2.182 . . . . 0.0 112.982 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.515 HG22 HD21 ' A' ' 70' ' ' ASN . 3.1 tp . . . . . 0 N--CA 1.475 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.376 -173.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -86.06 -42.14 14.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.52 -49.43 73.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.387 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -68.34 -42.52 79.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.318 0.647 . . . . 0.0 112.271 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 -46.31 83.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.194 0.998 . . . . 0.0 112.029 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -40.96 98.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.657 0.783 . . . . 0.0 112.086 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.3 t -60.56 -45.02 95.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 0.0 112.404 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -64.32 -51.84 61.46 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.519 1.528 . . . . 0.0 111.112 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.95 -28.39 69.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.945 0.898 . . . . 0.0 113.113 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -65.27 -30.26 71.12 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.059 -1.026 . . . . 0.0 113.223 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -93.81 -21.19 19.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.49 151.57 42.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.253 1.021 . . . . 0.0 111.688 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 t -66.7 160.18 26.19 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.228 1.011 . . . . 0.0 112.673 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 32' ' ' ILE . 73.1 tttt -57.44 -36.8 71.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.672 -1.267 . . . . 0.0 112.4 171.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.515 HD21 HG22 ' A' ' 32' ' ' ILE . 33.2 m120 -63.86 -42.48 97.52 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.472 -0.767 . . . . 0.0 112.678 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.67 -40.63 88.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.231 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.62 -48.57 79.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.946 1.298 . . . . 0.0 111.757 174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.9 mtm -62.62 -40.52 97.24 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -46.05 63.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.97 -38.47 91.19 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.312 0.96 . . . . 0.0 111.175 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.53 -48.32 78.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.375 1.07 . . . . 0.0 111.806 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.96 -45.12 95.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.405 -0.809 . . . . 0.0 111.262 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.71 -47.91 83.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.471 0.708 . . . . 0.0 112.806 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.44 -26.26 64.51 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.954 0.797 . . . . 0.0 112.652 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -74.32 -32.16 62.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.766 1.226 . . . . 0.0 112.878 172.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.37 -38.55 65.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.409 1.084 . . . . 0.0 113.017 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -178.384 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.46 -49.46 66.57 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.939 0.896 . . . . 0.0 110.991 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -67.71 -29.87 69.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.97 0.908 . . . . 0.0 112.829 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.52 -52.93 48.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.579 1.152 . . . . 0.0 111.911 171.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.52 -30.02 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.84 -24.24 61.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.545 1.138 . . . . 0.0 113.476 171.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -14.97 67.77 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.566 1.079 . . . . 0.0 115.371 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.4 175.52 5.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.734 2.014 . . . . 0.0 112.936 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.31 178.51 6.2 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.632 1.173 . . . . 0.0 113.514 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -58.18 -29.49 65.67 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.22 -35.06 79.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.31 1.044 . . . . 0.0 112.385 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.04 -33.22 51.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.7 1.2 . . . . 0.0 112.287 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.01 -46.75 73.56 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.291 0.636 . . . . 0.0 111.105 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.34 67.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.186 0.994 . . . . 0.0 113.051 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.93 -16.83 64.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.39 -26.07 5.08 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.26 -35.29 63.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.672 1.189 . . . . 0.0 112.228 170.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.72 -126.02 40.99 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.344 0.973 . . . . 0.0 113.211 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.66 -22.6 65.44 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.08 1.352 . . . . 0.0 113.723 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -89.86 3.32 53.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.018 1.327 . . . . 0.0 113.73 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.33 141.34 58.8 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.177 -0.952 . . . . 0.0 111.592 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 tp . . . . . 0 CA--C 1.543 0.674 0 C-N-CA 123.778 0.831 . . . . 0.0 112.602 -172.649 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -64.08 -50.44 68.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.598 1.959 . . . . 0.0 112.148 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -64.15 -45.42 88.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.234 1.014 . . . . 0.0 111.557 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.16 -49.8 74.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.679 0.792 . . . . 0.0 111.953 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.8 -52.69 63.18 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.13 0.972 . . . . 0.0 111.571 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.59 -39.21 93.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.014 0.824 . . . . 0.0 112.497 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 19.2 t -67.01 -35.89 80.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.529 0.604 . . . . 0.0 112.612 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.06 -50.09 62.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.238 0.926 . . . . 0.0 111.39 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.1 -34.02 67.91 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 51.9 p -67.3 -29.93 69.65 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.349 0.977 . . . . 0.0 113.606 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -78.6 -32.56 47.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.674 1.59 . . . . 0.0 112.617 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.05 147.11 53.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.025 1.33 . . . . 0.0 112.647 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.7 t -64.35 159.55 20.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.868 1.267 . . . . 0.0 112.025 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -43.26 -49.94 6.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.733 1.613 . . . . 0.0 111.578 165.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.03 -36.59 83.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.766 1.226 . . . . 0.0 112.126 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.53 -37.56 74.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.589 1.155 . . . . 0.0 112.555 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.28 -40.69 97.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.678 1.191 . . . . 0.0 112.046 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.99 -42.13 97.3 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.862 0.755 . . . . 0.0 112.172 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.9 68.84 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.3 -38.71 91.05 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.401 1.001 . . . . 0.0 111.764 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.18 91.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.251 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.48 -48.18 82.89 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.968 0.907 . . . . 0.0 110.933 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.61 -45.23 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.13 -23.82 64.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.674 1.125 . . . . 0.0 112.987 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.4 -39.39 47.34 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.28 -34.92 78.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.008 0.923 . . . . 0.0 112.793 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 178.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.65 -36.85 79.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.587 1.085 . . . . 0.0 111.893 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 t -74.68 -40.27 61.5 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.995 0.918 . . . . 0.0 112.296 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.03 -44.7 95.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.057 0.943 . . . . 0.0 112.792 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 18' ' ' LEU . 23.9 mm -66.82 -27.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 0.0 113.022 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.99 -27.64 57.52 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.764 -1.21 . . . . 0.0 113.494 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.33 -34.88 24.89 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.472 1.034 . . . . 0.0 115.042 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 15' ' ' ILE . 2.9 pp -74.65 179.36 4.79 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.742 1.617 . . . . 0.0 113.422 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 173.88 9.67 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.676 1.19 . . . . 0.0 113.106 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.71 -29.16 64.48 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -172.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -66.64 -31.3 71.89 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.804 0.842 . . . . 0.0 112.645 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -78.35 -34.25 48.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.58 1.152 . . . . 0.0 112.029 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.95 -49.19 77.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.226 0.61 . . . . 0.0 110.394 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.39 70.17 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.02 -17.47 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.08 -25.96 5.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.4 -35.51 65.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.281 1.032 . . . . 0.0 111.398 166.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.33 -129.16 47.1 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.572 1.082 . . . . 0.0 112.913 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -59.97 -25.02 64.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.059 1.344 . . . . 0.0 113.505 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -86.22 1.04 52.26 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.145 1.378 . . . . 0.0 114.296 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.55 141.98 55.93 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.224 -0.923 . . . . 0.0 111.619 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.464 HG22 HD21 ' A' ' 70' ' ' ASN . 2.6 tp . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 123.802 0.841 . . . . 0.0 112.056 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -68.23 -41.11 81.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.448 1.099 . . . . 0.0 112.996 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.41 -43.34 73.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.451 0.7 . . . . 0.0 111.796 172.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.41 -39.85 95.62 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.498 1.119 . . . . 0.0 112.493 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -72.4 -54.6 8.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.587 1.155 . . . . 0.0 112.288 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.3 tp -64.33 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 t -58.14 -45.76 86.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.758 0.823 . . . . 0.0 112.445 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -63.86 -42.98 97.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.382 -0.823 . . . . 0.0 111.685 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.84 -25.96 67.45 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -74.26 -35.51 63.79 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.206 -0.934 . . . . 0.0 113.147 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -73.29 -38.57 65.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.158 1.383 . . . . 0.0 114.571 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.84 157.41 37.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.01 1.324 . . . . 0.0 113.804 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -65.8 158.13 28.54 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.679 1.592 . . . . 0.0 112.818 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -59.17 -36.56 75.52 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.983 -1.073 . . . . 0.0 113.026 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.464 HD21 HG22 ' A' ' 32' ' ' ILE . 9.6 m120 -65.43 -40.23 93.08 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.456 -0.778 . . . . 0.0 112.224 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.78 -37.33 81.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.909 0.883 . . . . 0.0 112.597 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.01 -44.72 97.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.453 1.101 . . . . 0.0 112.109 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 54.3 mtm -59.57 -43.51 93.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.323 0.511 . . . . 0.0 112.088 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.86 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.34 -38.21 90.25 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.459 1.027 . . . . 0.0 111.332 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.25 86.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.627 1.171 . . . . 0.0 112.093 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.3 -43.72 93.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.217 -0.927 . . . . 0.0 111.368 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -59.25 -51.08 71.52 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.945 0.898 . . . . 0.0 112.723 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.84 -26.75 66.2 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.012 0.824 . . . . 0.0 112.988 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.62 -35.09 58.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.678 1.191 . . . . 0.0 112.841 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -73.19 -35.16 66.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.056 0.942 . . . . 0.0 113.058 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.093 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -47.86 84.49 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.102 0.961 . . . . 0.0 110.67 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.2 m -62.44 -30.77 71.47 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -75.01 -53.83 8.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.832 0.853 . . . . 0.0 111.874 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.4 mm -65.76 -30.88 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.727 1.611 . . . . 0.0 113.043 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.83 -22.86 55.86 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.45 -36.8 13.33 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.915 1.245 . . . . 0.0 114.362 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.62 -178.14 6.6 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.891 1.276 . . . . 0.0 113.208 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.93 177.86 7.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.873 1.669 . . . . 0.0 112.679 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -56.01 -28.39 57.09 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.865 1.666 . . . . 0.0 114.434 -175.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -62.07 -38.49 88.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.121 0.968 . . . . 0.0 112.414 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -82.13 -34.49 29.17 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.1 0.96 . . . . 0.0 112.719 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.98 -47.93 84.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.21 0.459 . . . . 0.0 111.249 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.13 77.18 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.348 -0.845 . . . . 0.0 112.992 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.9 88.19 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.96 -29.33 16.69 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.99 -37.52 58.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.209 1.004 . . . . 0.0 112.403 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.44 -128.22 45.15 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.065 0.84 . . . . 0.0 112.848 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -62.13 -19.35 62.92 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.67 -3.93 58.17 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -58.09 143.74 42.58 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.84 0.856 . . . . 0.0 111.899 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.475 HG22 HD21 ' B' ' 170' ' ' ASN . 7.7 tp . . . . . 0 N--CA 1.474 0.744 0 C-N-CA 124.461 1.105 . . . . 0.0 113.672 -167.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -73.34 -38.78 65.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 112.133 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.38 -47.67 47.57 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.106 0.962 . . . . 0.0 111.332 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.77 -36.85 82.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.824 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -73.32 -57.58 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.022 0.929 . . . . 0.0 111.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.49 -32.33 73.87 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.384 -0.823 . . . . 0.0 112.97 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.7 t -65.05 -24.41 67.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.779 1.232 . . . . 0.0 113.611 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -83.88 -47.86 10.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.308 1.043 . . . . 0.0 111.241 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.53 -20.3 66.14 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 96.4 p -75.69 -28.58 58.7 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.891 -1.13 . . . . 0.0 113.844 168.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.53 -41.14 11.56 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.526 1.53 . . . . 0.0 114.422 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.79 152.69 35.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.157 1.383 . . . . 0.0 112.588 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -75.54 153.54 37.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.109 0.964 . . . . 0.0 110.72 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -55.68 -31.49 62.44 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.676 -1.265 . . . . 0.0 113.601 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.475 HD21 HG22 ' B' ' 132' ' ' ILE . 10.2 m120 -63.89 -41.75 97.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.71 1.204 . . . . 0.0 112.176 172.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.63 -41.35 84.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.653 1.181 . . . . 0.0 112.021 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.49 -42.13 91.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.518 0.727 . . . . 0.0 111.926 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 28.0 mtm -61.7 -46.43 89.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.573 0.749 . . . . 0.0 112.002 170.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.54 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.99 -39.0 93.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.9 0.773 . . . . 0.0 111.27 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.57 83.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.176 0.991 . . . . 0.0 112.194 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.71 -45.55 92.22 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.176 -0.952 . . . . 0.0 111.319 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.02 -48.44 80.3 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.47 -27.26 66.0 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.129 0.877 . . . . 0.0 113.011 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.36 -39.87 71.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.975 1.31 . . . . 0.0 112.039 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.12 -38.94 82.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.693 0.797 . . . . 0.0 112.474 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.546 0.792 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.808 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.62 -34.14 72.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.236 1.414 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -60.34 -36.18 77.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.23 1.012 . . . . 0.0 112.639 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -77.99 -48.2 16.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.503 0.721 . . . . 0.0 111.64 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -32.58 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.555 1.142 . . . . 0.0 112.783 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -75.6 -19.33 59.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.343 1.057 . . . . 0.0 113.812 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.67 -34.03 9.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.571 1.082 . . . . 0.0 114.722 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.98 -176.25 6.04 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.39 1.476 . . . . 0.0 113.941 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.85 176.15 8.94 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.675 1.59 . . . . 0.0 113.039 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -59.72 -26.4 65.59 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.76 -34.33 77.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.388 0.995 . . . . 0.0 112.841 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -81.18 -28.49 34.96 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.373 1.069 . . . . 0.0 112.947 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.52 -47.33 64.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.006 0.923 . . . . 0.0 110.88 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.5 67.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.752 0.821 . . . . 0.0 112.99 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -17.47 64.64 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.95 -26.46 5.17 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.66 -36.89 70.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.314 1.046 . . . . 0.0 112.296 170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.41 -126.03 41.09 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.407 1.003 . . . . 0.0 113.274 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -61.35 -31.91 71.79 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.64 10.37 11.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.591 1.157 . . . . 0.0 112.882 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.58 144.38 43.04 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.613 -0.68 . . . . 0.0 111.855 168.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 HG22 HD21 ' A' ' 70' ' ' ASN . 8.5 tp . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 124.409 1.084 . . . . 0.0 112.448 -172.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 . . . . . 0 N--CA 1.472 0.642 0 CA-C-O 119.3 -0.381 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.66 -42.61 50.8 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 112.758 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.47 -52.99 61.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.387 0.675 . . . . 0.0 112.448 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.65 -38.91 67.52 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.362 -0.836 . . . . 0.0 112.522 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.62 -44.2 82.66 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.887 -0.508 . . . . 0.0 111.877 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.6 tp -65.4 -36.3 83.54 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.404 -0.81 . . . . 0.0 111.849 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.2 t -63.97 -36.29 83.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.791 0.836 . . . . 0.0 112.8 171.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -61.5 -55.48 30.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.931 -1.105 . . . . 0.0 111.284 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.64 -21.6 65.36 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -77.39 -35.85 53.97 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.642 1.564 . . . . 0.0 113.343 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -85.88 -27.82 24.78 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.06 157.21 38.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.707 1.203 . . . . 0.0 112.495 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.76 154.5 31.9 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.662 1.185 . . . . 0.0 112.076 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -51.36 -37.49 48.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.841 -1.162 . . . . 0.0 113.148 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.443 HD21 HG22 ' A' ' 32' ' ' ILE . 10.2 m120 -66.34 -38.33 87.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.258 1.023 . . . . 0.0 112.912 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.42 -40.21 85.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.496 1.118 . . . . 0.0 111.589 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.03 -39.32 85.51 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.951 0.796 . . . . 0.0 112.291 172.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.4 mtm -64.35 -43.75 93.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.674 0.67 . . . . 0.0 112.079 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.25 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -62.94 -37.87 88.79 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.994 0.816 . . . . 0.0 111.467 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.17 78.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.825 0.85 . . . . 0.0 111.966 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -44.73 83.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.722 0.809 . . . . 0.0 110.973 175.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -58.43 -52.01 67.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.024 0.93 . . . . 0.0 112.751 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.19 -25.7 65.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -73.02 -38.18 66.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.792 1.237 . . . . 0.0 112.315 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.68 -37.25 70.75 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.151 0.98 . . . . 0.0 112.436 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.888 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.05 -40.81 95.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.133 0.973 . . . . 0.0 111.541 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -70.68 -34.82 72.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.161 0.984 . . . . 0.0 112.864 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -72.24 -46.74 54.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.587 0.755 . . . . 0.0 112.544 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mm -65.96 -25.53 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 125.354 1.461 . . . . 0.0 112.584 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.13 -20.57 44.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 169.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.7 25.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.448 1.023 . . . . 0.0 113.939 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.32 178.51 8.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.822 1.649 . . . . 0.0 113.048 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.27 178.75 6.57 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.173 1.389 . . . . 0.0 112.98 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -58.76 -31.81 68.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.75 1.22 . . . . 0.0 114.167 -171.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.84 -33.35 75.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.984 0.914 . . . . 0.0 112.459 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.33 -38.1 51.12 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.272 1.029 . . . . 0.0 111.686 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.91 -50.12 75.23 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.426 0.69 . . . . 0.0 110.798 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -34.07 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.893 0.769 . . . . 0.0 112.968 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.45 79.13 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.42 -31.33 33.21 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.4 -41.53 76.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.197 0.908 . . . . 0.0 111.537 167.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.44 81.2 0.57 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 124.699 1.142 . . . . 0.0 112.437 169.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 61.43 -17.38 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.796 2.439 . . . . 0.0 115.791 -166.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.91 6.31 5.31 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.594 1.558 . . . . 0.0 114.801 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.57 146.02 21.63 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.52 1.128 . . . . 0.0 112.106 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.469 HG22 HD21 ' B' ' 170' ' ' ASN . 3.1 tp . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -73.76 -48.4 31.99 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.046 1.339 . . . . 0.0 111.017 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.6 -55.57 19.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -69.74 -20.43 63.51 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -167.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -79.93 -54.52 5.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.182 0.993 . . . . 0.0 111.538 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.39 -35.97 80.85 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.958 0.903 . . . . 0.0 112.511 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 35.1 t -62.61 -25.76 68.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.837 1.655 . . . . 0.0 113.527 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -84.6 -47.88 10.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.394 -0.816 . . . . 0.0 111.778 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.93 -22.93 66.02 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.3 p -70.28 -18.21 63.11 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -123.54 -17.06 6.59 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.22 144.81 56.85 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.646 0.657 . . . . 0.0 109.954 160.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.8 t -64.29 155.01 33.45 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.964 0.906 . . . . 0.0 112.625 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.02 -35.96 62.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.123 -0.985 . . . . 0.0 111.844 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.469 HD21 HG22 ' B' ' 132' ' ' ILE . 11.2 m120 -63.78 -38.08 89.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.855 0.862 . . . . 0.0 113.095 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.71 -38.8 73.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.587 0.755 . . . . 0.0 112.211 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.5 -40.89 98.19 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.819 1.19 . . . . 0.0 112.032 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.8 mtm -57.87 -43.83 86.26 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.578 0.626 . . . . 0.0 111.983 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.1 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.61 -41.21 98.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.424 1.011 . . . . 0.0 111.947 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.44 -34.75 74.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.037 0.935 . . . . 0.0 112.603 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.08 -47.82 48.62 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.75 0.82 . . . . 0.0 110.565 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.11 -42.14 98.93 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.718 1.207 . . . . 0.0 112.387 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.88 -25.81 65.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.69 -38.23 47.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.356 1.062 . . . . 0.0 112.499 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -68.73 -32.56 72.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.535 0.734 . . . . 0.0 112.72 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.39 -43.82 93.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.336 1.054 . . . . 0.0 111.445 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.1 t -64.25 -35.76 81.87 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.714 0.806 . . . . 0.0 112.203 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.1 -50.75 60.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.247 -0.908 . . . . 0.0 112.215 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.74 -29.87 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.038 1.335 . . . . 0.0 113.299 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -27.99 67.91 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.223 -0.923 . . . . 0.0 113.405 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 -39.61 4.96 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.018 1.294 . . . . 0.0 115.963 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.52 162.07 28.63 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.619 1.21 . . . . 0.0 114.123 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.04 171.32 8.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.393 1.077 . . . . 0.0 113.415 -173.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.55 -29.01 69.74 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.099 -1.001 . . . . 0.0 113.543 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.08 -33.23 75.05 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.407 -0.808 . . . . 0.0 112.457 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.83 -30.16 61.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.938 0.895 . . . . 0.0 111.996 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.84 -48.69 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.555 0.742 . . . . 0.0 111.111 168.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.68 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.74 0.816 . . . . 0.0 112.733 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.16 64.43 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.23 -25.49 5.25 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -76.52 -36.04 57.95 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.267 0.939 . . . . 0.0 112.36 171.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.69 -126.8 42.57 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.083 1.325 . . . . 0.0 113.324 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.74 40.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.64 -5.5 57.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.98 145.84 49.12 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.005 0.922 . . . . 0.0 111.319 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.461 HG22 HD21 ' A' ' 70' ' ' ASN . 2.8 tp . . . . . 0 CA--C 1.545 0.753 0 O-C-N 121.525 -0.734 . . . . 0.0 112.5 -174.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.16 -50.76 7.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.718 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -66.37 -44.88 81.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.992 0.917 . . . . 0.0 113.308 -172.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.08 -46.61 80.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.197 0.599 . . . . 0.0 111.176 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.14 -48.98 71.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.055 . . . . 0.0 112.744 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.31 -35.86 81.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.392 -0.817 . . . . 0.0 112.16 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -68.28 -40.61 81.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.714 0.805 . . . . 0.0 112.286 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.62 -46.78 88.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.154 0.982 . . . . 0.0 111.982 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -28.05 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.578 -0.701 . . . . 0.0 112.554 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -68.77 -37.15 79.14 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.816 0.846 . . . . 0.0 113.0 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -61.56 -51.48 68.38 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.516 -1.365 . . . . 0.0 113.091 170.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.0 150.8 48.01 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -164.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.2 t -66.4 160.12 25.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.064 1.745 . . . . 0.0 112.259 173.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -56.85 -35.19 68.57 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.057 -1.027 . . . . 0.0 112.551 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.461 HD21 HG22 ' A' ' 32' ' ' ILE . 7.4 m120 -66.62 -41.47 88.29 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.235 1.014 . . . . 0.0 111.989 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -69.51 -39.5 77.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.71 1.204 . . . . 0.0 111.836 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.33 -42.51 91.66 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.611 1.564 . . . . 0.0 112.476 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.8 mtm -61.37 -44.94 96.31 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 169.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.65 62.18 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -173.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.75 -36.24 82.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.066 -1.021 . . . . 0.0 112.18 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -41.27 76.98 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.075 0.95 . . . . 0.0 111.8 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -47.11 87.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.587 1.155 . . . . 0.0 110.733 172.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -59.48 -53.6 56.21 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.386 1.075 . . . . 0.0 113.822 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.18 -28.58 69.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.948 0.795 . . . . 0.0 113.128 -175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -76.53 -35.42 58.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.124 1.37 . . . . 0.0 112.353 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.85 -39.09 61.78 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.807 0.843 . . . . 0.0 112.442 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.524 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.548 1.067 . . . . 0.0 111.462 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 25.9 m -66.4 -31.9 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.76 0.824 . . . . 0.0 112.409 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.02 -47.07 69.45 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.497 0.719 . . . . 0.0 112.533 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.46 -31.34 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.23 1.412 . . . . 0.0 112.614 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -75.01 -23.41 58.23 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.76 -19.67 59.35 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.539 1.066 . . . . 0.0 115.389 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.18 178.21 4.67 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.418 1.887 . . . . 0.0 113.577 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 175.95 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.028 1.331 . . . . 0.0 113.559 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.38 -30.43 68.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.84 1.256 . . . . 0.0 114.002 -173.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.26 -33.07 74.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.878 0.871 . . . . 0.0 112.596 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -78.95 -29.97 44.28 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.541 1.137 . . . . 0.0 112.143 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.0 -46.44 74.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.43 0.692 . . . . 0.0 110.956 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.81 -29.71 68.42 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.36 63.77 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.25 -26.49 6.3 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.36 -32.53 64.56 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 111.755 168.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.83 -139.13 40.48 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.747 1.165 . . . . 0.0 112.421 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.13 58.99 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 175.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -84.97 2.31 43.55 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.229 . . . . 0.0 113.389 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.82 146.83 24.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.568 1.147 . . . . 0.0 112.04 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.504 HG22 HD21 ' B' ' 170' ' ' ASN . 6.1 tp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -167.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.64 -42.73 95.25 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.247 1.419 . . . . 0.0 112.319 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.65 -48.08 73.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.155 0.982 . . . . 0.0 111.745 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -72.83 -31.36 64.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -68.18 -48.9 64.04 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.73 0.812 . . . . 0.0 111.669 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.11 -35.68 75.77 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.568 -0.708 . . . . 0.0 112.163 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 14.2 t -57.13 -39.55 75.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.195 1.398 . . . . 0.0 112.618 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -64.46 -52.0 60.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.674 1.124 . . . . 0.0 111.38 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.56 -27.34 68.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.944 0.898 . . . . 0.0 113.283 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.7 p -67.31 -22.74 65.61 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -87.78 -34.16 18.39 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.239 1.416 . . . . 0.0 113.552 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.6 157.19 32.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.185 1.394 . . . . 0.0 113.618 -171.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 33.8 t -75.06 163.17 27.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.618 1.567 . . . . 0.0 112.211 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.88 -37.26 81.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.806 -1.184 . . . . 0.0 113.014 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.504 HD21 HG22 ' B' ' 132' ' ' ILE . 26.3 m120 -63.65 -41.24 98.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.188 0.995 . . . . 0.0 112.745 172.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.29 -39.68 82.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.018 0.927 . . . . 0.0 111.927 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.45 -41.87 97.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.011 1.324 . . . . 0.0 112.291 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 43.7 mtm -60.48 -50.04 75.14 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.698 0.681 . . . . 0.0 111.403 169.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.18 81.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -173.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -40.04 95.4 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 111.48 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.79 90.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.489 1.116 . . . . 0.0 112.138 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -46.13 89.3 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.077 0.951 . . . . 0.0 110.779 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.45 -51.98 67.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.463 0.705 . . . . 0.0 112.522 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.06 -27.43 66.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.36 -44.65 64.61 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.063 0.945 . . . . 0.0 112.203 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.86 -37.1 86.49 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.838 0.855 . . . . 0.0 112.449 -175.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 178.262 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -42.12 99.59 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 112.858 -168.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -67.46 -28.96 68.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.98 -48.3 37.79 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.146 -0.971 . . . . 0.0 111.395 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.82 -33.16 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.031 1.332 . . . . 0.0 113.101 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -76.37 -23.33 54.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.917 0.887 . . . . 0.0 113.203 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.01 -32.65 12.14 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.881 1.229 . . . . 0.0 115.02 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.55 178.42 3.52 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.71 1.604 . . . . 0.0 113.667 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.22 172.9 9.16 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.89 1.276 . . . . 0.0 112.785 175.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -27.24 66.02 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.9 -33.86 76.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.836 0.855 . . . . 0.0 112.394 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.37 -35.56 61.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 112.031 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.52 -44.95 81.09 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.27 1.028 . . . . 0.0 111.413 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.0 69.56 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.94 -17.26 61.5 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.85 -28.67 5.88 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.56 -39.4 37.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.277 0.944 . . . . 0.0 111.899 170.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.07 -115.83 4.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.154 1.359 . . . . 0.0 113.482 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -54.3 -27.21 33.89 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.4 1.88 . . . . 0.0 113.926 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -104.16 16.43 26.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.862 1.265 . . . . 0.0 113.883 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.72 133.17 49.63 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.55 -1.344 . . . . 0.0 111.176 171.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp . . . . . 0 CA--C 1.551 1.004 0 C-N-CA 125.062 1.345 . . . . 0.0 112.974 -174.461 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -27.59 60.79 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -77.35 -52.19 9.58 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.402 1.081 . . . . 0.0 110.878 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.15 -24.71 66.71 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.736 1.214 . . . . 0.0 113.521 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -81.34 -59.38 2.66 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.275 -0.891 . . . . 0.0 111.948 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.76 -36.54 81.32 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.7 p -66.49 -21.04 66.18 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -84.79 -51.28 6.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.615 0.766 . . . . 0.0 110.547 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.08 -32.03 65.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.822 1.249 . . . . 0.0 113.349 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -67.98 -29.85 68.98 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -92.13 -16.74 25.9 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 150.07 48.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.039 0.836 . . . . 0.0 111.781 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -66.63 153.4 43.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.229 1.412 . . . . 0.0 111.24 174.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.51 -35.2 60.38 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 0.0 111.825 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -66.73 -48.86 67.84 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.49 0.716 . . . . 0.0 112.518 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.81 -42.09 99.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.367 1.067 . . . . 0.0 112.417 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.06 -35.07 79.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.911 1.684 . . . . 0.0 112.297 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.7 mtm -71.36 -40.3 70.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 167.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.15 86.22 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 -39.12 93.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.686 1.13 . . . . 0.0 111.959 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.84 86.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.946 1.298 . . . . 0.0 112.232 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.72 -47.65 77.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.195 0.998 . . . . 0.0 111.272 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -59.12 -50.02 75.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 0.0 112.454 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.69 -30.19 70.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.265 0.939 . . . . 0.0 112.986 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.67 -36.5 60.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.478 1.111 . . . . 0.0 112.88 172.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -67.9 -41.25 82.99 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.541 0.736 . . . . 0.0 111.838 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.684 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.5 -37.64 70.67 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.271 -0.893 . . . . 0.0 112.561 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -62.63 -39.22 93.14 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.609 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -71.78 -43.48 65.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.549 0.74 . . . . 0.0 112.149 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.7 -31.56 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.963 0.905 . . . . 0.0 112.449 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.54 -33.07 68.83 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.039 -1.038 . . . . 0.0 113.24 169.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.61 -26.42 32.65 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.63 179.83 3.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.463 1.505 . . . . 0.0 113.877 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 169.25 12.76 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.464 1.506 . . . . 0.0 112.377 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -60.48 -24.34 65.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -64.29 -32.76 74.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.181 0.992 . . . . 0.0 112.715 171.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -73.32 -36.34 66.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.838 1.255 . . . . 0.0 112.008 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.88 -47.45 71.82 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.842 0.857 . . . . 0.0 110.588 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.33 70.08 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.49 -17.65 64.22 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.17 -25.72 5.66 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.51 -36.64 57.63 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.715 1.206 . . . . 0.0 111.959 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.84 -126.36 42.38 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.592 1.091 . . . . 0.0 113.695 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -56.45 -30.6 63.08 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.364 1.466 . . . . 0.0 113.596 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.52 5.81 40.84 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.134 1.374 . . . . 0.0 114.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.86 133.09 55.76 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.042 -1.036 . . . . 0.0 111.283 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.922 . . . . 0.0 112.38 -174.406 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -33.27 72.65 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.957 0.903 . . . . 0.0 113.187 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 -48.28 43.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.047 0.939 . . . . 0.0 110.796 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.22 -31.12 71.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.173 0.989 . . . . 0.0 112.417 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -76.37 -58.19 3.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.507 0.723 . . . . 0.0 111.999 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.97 -35.92 81.05 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -173.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 29.5 t -66.04 -42.84 89.04 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.413 -0.805 . . . . 0.0 111.588 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -63.49 -44.34 94.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.641 0.655 . . . . 0.0 111.829 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.77 -33.56 71.85 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.918 0.781 . . . . 0.0 112.347 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 40.6 t -66.42 -42.92 87.03 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.236 -0.915 . . . . 0.0 112.487 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -67.66 -39.58 84.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.859 1.263 . . . . 0.0 113.525 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.65 152.03 45.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.829 1.651 . . . . 0.0 112.969 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.2 t -67.61 155.74 38.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.337 1.455 . . . . 0.0 113.357 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -52.66 -36.33 56.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.97 1.308 . . . . 0.0 111.711 166.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -66.33 -43.43 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.91 -39.1 87.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.593 0.757 . . . . 0.0 112.165 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.13 -40.58 96.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.869 0.759 . . . . 0.0 112.439 175.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.36 -39.74 91.72 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.585 0.629 . . . . 0.0 112.089 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.88 61.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.28 -37.79 88.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.517 1.053 . . . . 0.0 111.235 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.34 88.29 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.79 0.836 . . . . 0.0 112.261 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.86 -45.87 91.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.055 0.942 . . . . 0.0 111.417 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.2 -45.92 89.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.861 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.77 -24.28 65.31 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.581 1.082 . . . . 0.0 113.431 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -76.22 -40.03 53.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.493 1.117 . . . . 0.0 112.635 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.89 -37.08 86.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.244 1.018 . . . . 0.0 111.842 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? . . . . . 0 CA--C 1.543 0.703 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.595 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 111.36 0.133 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -46.12 90.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.277 1.031 . . . . 0.0 110.755 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -59.54 -39.67 84.74 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.567 1.147 . . . . 0.0 112.609 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.15 -50.61 60.62 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.385 -0.822 . . . . 0.0 111.985 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.82 -29.76 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.508 1.123 . . . . 0.0 112.611 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -79.08 -21.11 47.22 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.88 1.272 . . . . 0.0 113.955 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.25 -33.08 9.0 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.513 1.054 . . . . 0.0 114.434 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.49 172.62 10.17 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.383 1.473 . . . . 0.0 114.076 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.69 173.19 6.54 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.825 1.25 . . . . 0.0 113.241 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.83 -27.02 67.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.084 -1.01 . . . . 0.0 113.515 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.49 -30.42 69.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.189 0.996 . . . . 0.0 112.317 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -78.3 -35.71 47.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.453 1.101 . . . . 0.0 111.703 174.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.69 -48.73 80.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.216 0.606 . . . . 0.0 110.716 169.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.05 70.61 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.87 77.33 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -30.1 13.42 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.19 -34.89 59.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.385 1.074 . . . . 0.0 112.208 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.85 -135.72 43.86 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.888 1.232 . . . . 0.0 112.479 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -67.91 -7.08 25.38 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -92.32 1.42 57.24 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.495 1.518 . . . . 0.0 113.942 172.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 149.91 30.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 112.793 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 HD21 ' A' ' 70' ' ' ASN . 5.1 tp . . . . . 0 CA--C 1.548 0.867 0 C-N-CA 123.959 0.903 . . . . 0.0 112.932 -172.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.71 -27.21 66.62 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.92 -51.59 7.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.528 1.131 . . . . 0.0 110.981 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.48 -48.38 81.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.229 1.011 . . . . 0.0 112.825 -176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.6 -47.46 75.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.694 0.798 . . . . 0.0 112.152 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.56 -41.33 98.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.339 -0.851 . . . . 0.0 112.063 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.2 t -60.9 -39.4 89.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.018 0.927 . . . . 0.0 112.95 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -67.54 -47.65 69.26 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.792 0.837 . . . . 0.0 112.014 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.77 -31.7 71.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.217 1.007 . . . . 0.0 113.173 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.4 p -66.05 -27.1 67.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.742 1.155 . . . . 0.0 112.453 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -91.63 -6.88 51.48 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.525 1.93 . . . . 0.0 114.422 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.84 156.53 17.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.616 1.166 . . . . 0.0 112.384 168.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -77.9 161.37 27.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.544 1.138 . . . . 0.0 110.948 176.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -56.61 -43.89 80.61 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.059 -1.026 . . . . 0.0 112.624 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.489 HD21 HG22 ' A' ' 32' ' ' ILE . 9.5 m120 -60.53 -40.15 90.46 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 118.4 0.545 . . . . 0.0 112.321 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.86 -42.39 77.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.14 0.976 . . . . 0.0 112.491 172.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.5 -36.42 83.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.945 1.698 . . . . 0.0 112.586 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.6 mtm -69.73 -40.63 76.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.219 0.607 . . . . 0.0 112.129 168.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.21 78.8 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.56 -35.64 81.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.191 -0.943 . . . . 0.0 111.808 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.32 84.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.846 0.858 . . . . 0.0 112.001 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.38 -44.75 78.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.552 1.141 . . . . 0.0 111.059 172.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -56.87 -51.7 68.04 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.973 0.909 . . . . 0.0 112.564 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.4 -24.8 64.81 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -76.77 -33.45 58.07 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.572 1.149 . . . . 0.0 112.84 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.67 -40.33 69.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.13 0.972 . . . . 0.0 112.466 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -179.062 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -43.36 99.02 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.434 -0.791 . . . . 0.0 111.425 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.3 t -66.54 -34.91 78.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.121 0.969 . . . . 0.0 112.223 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.17 -47.17 77.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.538 -0.726 . . . . 0.0 111.8 175.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.23 -32.14 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.779 1.232 . . . . 0.0 112.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.56 -26.97 62.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.274 -0.891 . . . . 0.0 113.167 171.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.38 -41.02 12.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.674 1.131 . . . . 0.0 114.574 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.52 170.14 16.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.328 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 178.43 4.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.434 1.094 . . . . 0.0 113.456 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -59.87 -28.44 67.53 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.39 -35.83 81.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.911 0.885 . . . . 0.0 112.266 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.9 -38.24 57.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.971 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.79 -45.72 91.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.309 0.643 . . . . 0.0 111.155 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.43 75.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.081 0.855 . . . . 0.0 113.084 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.69 78.14 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.707 -0.621 . . . . 0.0 112.593 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.35 -30.05 16.77 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -175.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.31 -40.88 25.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.553 1.141 . . . . 0.0 111.727 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.32 -115.61 7.65 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.463 1.03 . . . . 0.0 112.805 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -50.76 -40.52 55.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.48 1.912 . . . . 0.0 113.704 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -92.26 8.59 37.53 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.573 1.149 . . . . 0.0 113.698 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.71 142.22 58.22 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.419 -0.8 . . . . 0.0 111.608 174.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.474 HG22 HD21 ' B' ' 170' ' ' ASN . 4.5 tp . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -170.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.6 65.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -76.55 -44.81 33.25 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.628 1.171 . . . . 0.0 110.528 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -66.56 -46.31 76.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 0.0 112.12 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -64.86 -48.38 74.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.612 1.165 . . . . 0.0 112.083 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.89 -29.49 70.44 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.364 -0.835 . . . . 0.0 112.586 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.5 t -67.47 -33.39 75.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.532 1.133 . . . . 0.0 113.395 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -68.61 -48.9 62.93 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.228 -1.545 . . . . 0.0 110.985 167.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.42 -40.06 71.0 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.563 1.145 . . . . 0.0 112.626 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.2 p -71.21 -32.17 68.49 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -76.27 -38.73 55.84 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.723 1.209 . . . . 0.0 113.376 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.72 146.25 51.67 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 0.0 112.36 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 22.7 t -73.58 165.2 25.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.808 1.243 . . . . 0.0 112.602 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -50.67 -39.19 50.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.993 1.717 . . . . 0.0 112.381 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.474 HD21 HG22 ' B' ' 132' ' ' ILE . 9.9 m120 -67.46 -45.04 77.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.671 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.67 -38.62 84.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.434 1.094 . . . . 0.0 112.099 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.08 -39.77 87.26 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.011 1.324 . . . . 0.0 112.5 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 73.0 mtm -67.21 -42.47 84.07 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.701 -0.625 . . . . 0.0 112.453 170.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.56 82.6 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.687 0.795 . . . . 0.0 112.816 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.29 -37.53 85.62 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.835 0.743 . . . . 0.0 111.562 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.89 95.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.218 1.007 . . . . 0.0 112.229 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.21 -47.43 79.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.27 -42.59 99.13 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.267 -0.896 . . . . 0.0 113.13 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.32 -26.83 65.82 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.309 0.959 . . . . 0.0 113.192 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.18 -35.46 66.4 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.175 0.898 . . . . 0.0 112.489 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -70.98 -35.93 72.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.234 1.014 . . . . 0.0 112.532 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.431 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.72 -46.69 86.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.756 -0.59 . . . . 0.0 111.297 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 t -65.34 -37.52 87.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.517 0.727 . . . . 0.0 112.404 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.71 -47.21 79.15 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.507 0.723 . . . . 0.0 112.184 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -68.47 -29.86 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.691 1.196 . . . . 0.0 112.886 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.2 -32.04 62.89 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 112.889 172.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.22 -26.34 44.45 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.772 1.177 . . . . 0.0 115.239 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.74 -174.39 2.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.877 1.271 . . . . 0.0 113.313 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.65 164.64 23.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.697 1.599 . . . . 0.0 112.586 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.6 -22.88 62.43 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.83 -35.72 80.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.151 0.98 . . . . 0.0 112.894 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.46 -36.68 63.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.424 1.09 . . . . 0.0 111.569 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.14 -46.06 82.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.441 0.696 . . . . 0.0 111.173 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.1 -33.38 73.28 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 112.899 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.5 87.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -28.51 18.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.9 -40.74 46.34 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.754 1.222 . . . . 0.0 111.928 172.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.84 -130.56 49.78 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.894 0.759 . . . . 0.0 112.476 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.5 -15.37 57.67 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 178.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.1 0.78 39.09 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.83 144.37 44.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.176 -0.953 . . . . 0.0 112.802 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG22 HD21 ' A' ' 70' ' ' ASN . 8.3 tp . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.166 0.986 . . . . 0.0 113.476 -170.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 . . . . . 0 N--CA 1.471 0.611 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -35.91 80.71 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -74.71 -44.47 49.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.499 0.72 . . . . 0.0 112.151 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.16 -48.26 79.19 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.626 -0.671 . . . . 0.0 111.643 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -65.65 -47.78 74.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.649 0.78 . . . . 0.0 112.115 -176.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.57 -37.37 86.48 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.132 -0.98 . . . . 0.0 112.143 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.0 t -63.53 -48.97 75.33 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.531 0.605 . . . . 0.0 112.257 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.6 -37.23 73.84 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.894 -1.129 . . . . 0.0 112.301 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.79 -18.72 65.52 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.967 1.258 . . . . 0.0 113.853 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -74.82 -43.23 55.72 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.742 1.61 . . . . 0.0 111.021 169.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -66.43 -46.55 76.12 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.464 1.506 . . . . 0.0 113.997 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.36 151.43 32.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 113.02 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.8 t -67.66 154.04 42.37 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.621 1.169 . . . . 0.0 111.97 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -56.53 -29.35 61.8 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.959 -1.088 . . . . 0.0 112.526 168.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.408 HD21 HG22 ' A' ' 32' ' ' ILE . 36.2 m120 -62.52 -44.85 95.35 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.476 -0.765 . . . . 0.0 112.348 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.15 -40.7 78.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.793 1.237 . . . . 0.0 112.081 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.9 -42.36 93.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.822 1.249 . . . . 0.0 112.166 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.57 -45.86 90.99 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.699 0.681 . . . . 0.0 112.227 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.08 76.66 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.27 -37.71 86.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.268 0.94 . . . . 0.0 111.83 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.23 90.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.684 0.793 . . . . 0.0 111.856 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -45.43 79.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.597 0.759 . . . . 0.0 110.731 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -61.08 -46.29 91.26 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.807 0.843 . . . . 0.0 113.023 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.36 -23.36 62.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -37.56 51.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.05 0.94 . . . . 0.0 112.617 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.7 -36.11 83.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.396 1.078 . . . . 0.0 112.719 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.069 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 120.186 0.041 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.69 -39.62 92.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.443 -0.786 . . . . 0.0 111.959 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -65.19 -46.23 81.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.965 0.506 . . . . 0.0 112.149 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -70.57 -45.37 65.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.78 -28.36 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.384 1.473 . . . . 0.0 112.548 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.0 -20.28 49.49 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.029 -1.044 . . . . 0.0 113.752 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.16 -32.66 9.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.034 1.302 . . . . 0.0 115.09 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.45 175.48 4.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.406 1.882 . . . . 0.0 113.562 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.7 168.12 10.31 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.198 1.399 . . . . 0.0 113.353 174.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.75 -24.86 64.39 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.532 -1.355 . . . . 0.0 114.176 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -66.93 -32.66 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.524 -0.735 . . . . 0.0 112.686 172.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -72.13 -38.49 69.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.664 1.186 . . . . 0.0 111.543 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.04 -47.64 82.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.413 0.685 . . . . 0.0 110.185 172.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.83 90.47 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.34 -30.27 20.93 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.22 -39.03 34.21 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.255 1.022 . . . . 0.0 112.491 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.79 33.69 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.604 0.621 . . . . 0.0 111.929 -174.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.46 -21.31 62.2 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -75.92 -7.27 54.16 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.66 137.71 58.15 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.082 -1.012 . . . . 0.0 111.727 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.416 HG22 HD21 ' B' ' 170' ' ' ASN . 2.6 tp . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 123.686 0.794 . . . . 0.0 112.599 -172.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 . . . . . 0 CA--C 1.539 0.543 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -81.8 -58.96 2.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.236 2.214 . . . . 0.0 111.404 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -71.76 -40.59 69.22 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -169.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.21 -42.01 93.93 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 111.741 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.77 -50.06 63.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.246 1.018 . . . . 0.0 111.953 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.19 -40.28 85.21 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.096 0.558 . . . . 0.0 111.955 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 47.2 t -61.25 -51.23 69.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.933 0.893 . . . . 0.0 112.264 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.12 -45.82 91.76 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.071 -1.018 . . . . 0.0 112.141 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -30.25 71.4 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 118.9 -0.572 . . . . 0.0 112.49 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.7 p -69.53 -26.38 64.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.723 1.147 . . . . 0.0 113.438 173.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -88.41 -33.12 18.0 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.321 1.448 . . . . 0.0 113.376 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.33 153.64 42.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.098 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.2 t -66.03 157.16 31.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.4 . . . . 0.0 113.303 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -53.83 -39.77 65.87 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.64 1.576 . . . . 0.0 112.148 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.416 HD21 HG22 ' B' ' 132' ' ' ILE . 16.9 m120 -70.04 -40.68 74.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.013 0.925 . . . . 0.0 112.292 176.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -66.3 -40.16 89.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.143 0.977 . . . . 0.0 112.524 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.11 -44.86 92.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.705 1.202 . . . . 0.0 112.234 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 56.8 mtm -61.74 -44.06 97.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.727 0.411 . . . . 0.0 111.708 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.84 -46.47 71.71 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.95 -39.35 93.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.388 0.994 . . . . 0.0 111.539 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.54 96.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.378 1.071 . . . . 0.0 112.214 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.45 -45.74 82.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.502 -0.749 . . . . 0.0 110.86 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.21 -45.27 94.08 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.349 -0.844 . . . . 0.0 113.264 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.85 -25.17 63.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.926 0.785 . . . . 0.0 112.788 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -75.01 -34.75 61.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.265 1.026 . . . . 0.0 112.157 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.69 -35.66 72.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.441 1.096 . . . . 0.0 112.683 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.543 0.697 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 178.049 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.12 -45.28 91.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.86 1.264 . . . . 0.0 111.993 -174.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -73.71 -27.94 61.46 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.866 0.866 . . . . 0.0 113.082 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -70.76 -45.43 64.81 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.955 -1.09 . . . . 0.0 111.827 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.99 -24.53 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.62 1.568 . . . . 0.0 112.497 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -80.21 -21.12 43.25 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 169.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.54 -29.78 11.64 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.323 0.963 . . . . 0.0 115.321 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.43 173.2 7.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.011 1.725 . . . . 0.0 113.667 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.44 167.27 10.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.776 1.23 . . . . 0.0 113.166 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.72 -25.33 66.36 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.01 -32.35 73.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.747 0.819 . . . . 0.0 112.566 172.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -72.25 -35.74 68.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.393 1.077 . . . . 0.0 111.71 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.08 -50.29 64.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.702 0.801 . . . . 0.0 110.864 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -33.57 70.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.151 0.98 . . . . 0.0 113.309 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.1 75.15 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.17 -27.03 13.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 -40.02 62.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.31 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.17 -127.06 44.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.174 0.892 . . . . 0.0 113.418 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.08 -24.38 67.88 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.125 0.97 . . . . 0.0 113.538 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -83.68 4.57 28.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.987 1.315 . . . . 0.0 114.528 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.32 146.53 43.72 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.058 -1.026 . . . . 0.0 112.111 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.475 0.778 0 C-N-CA 125.279 1.431 . . . . 0.0 113.207 -171.438 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -71.14 -43.29 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.56 1.544 . . . . 0.0 112.061 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.04 -45.76 66.45 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.009 1.324 . . . . 0.0 112.144 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.5 -41.74 79.6 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.009 0.924 . . . . 0.0 112.085 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.54 -48.02 76.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.796 0.838 . . . . 0.0 111.542 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' H ' ' B' ' 130' ' ' GLU . 37.8 tp -60.61 -42.32 96.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.737 0.699 . . . . 0.0 112.34 174.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -66.18 -27.81 68.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.2 -45.32 18.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.707 0.803 . . . . 0.0 111.023 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.21 -34.66 78.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.768 0.827 . . . . 0.0 112.83 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.4 p -65.53 -32.23 73.72 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.434 1.015 . . . . 0.0 112.376 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.43 -31.07 42.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.625 1.57 . . . . 0.0 113.569 176.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.45 148.56 50.45 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 113.056 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -71.94 159.7 33.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.626 1.571 . . . . 0.0 112.924 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -53.21 -38.74 63.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.245 1.418 . . . . 0.0 112.614 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.02 -40.46 87.26 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.485 0.714 . . . . 0.0 112.751 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -37.06 77.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.472 1.109 . . . . 0.0 112.535 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.52 -43.14 99.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.708 1.203 . . . . 0.0 112.125 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.3 mtm -59.21 -47.0 86.96 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.02 0.373 . . . . 0.0 111.787 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.56 72.38 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -39.88 94.4 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.898 1.226 . . . . 0.0 111.313 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.92 86.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.943 1.297 . . . . 0.0 112.101 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.98 -46.57 84.03 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.648 -0.658 . . . . 0.0 111.049 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.75 -46.18 90.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.615 0.766 . . . . 0.0 112.427 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.91 -25.96 65.75 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.57 1.077 . . . . 0.0 113.399 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -74.92 -38.9 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.645 1.178 . . . . 0.0 112.881 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.46 -39.69 92.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.999 0.92 . . . . 0.0 111.926 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.849 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.97 -30.57 68.02 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 112.558 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -63.3 -35.6 80.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 112.326 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -72.03 -45.21 61.71 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.551 0.74 . . . . 0.0 111.624 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.02 -31.22 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.334 1.054 . . . . 0.0 112.311 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.69 -25.82 61.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.955 0.902 . . . . 0.0 113.221 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.51 -27.86 10.21 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.44 177.17 4.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.869 1.668 . . . . 0.0 114.372 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.52 172.38 7.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.851 1.66 . . . . 0.0 112.884 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -60.85 -27.13 67.87 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.25 -29.72 70.02 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.112 -0.992 . . . . 0.0 113.264 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -75.28 -36.75 61.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.712 0.805 . . . . 0.0 111.627 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.18 -43.62 94.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.315 0.646 . . . . 0.0 110.632 174.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.78 69.92 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.64 53.45 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -31.63 27.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.08 -61.23 2.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.331 0.969 . . . . 0.0 110.837 165.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.21 -71.69 0.6 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.026 1.298 . . . . 0.0 112.7 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -144.72 124.79 13.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.152 2.181 . . . . 0.0 108.156 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.415 ' H ' HD23 ' A' ' 61' ' ' LEU . 40.0 mm-40 -83.82 81.02 8.95 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 131.263 3.825 . . . . 0.0 114.457 1.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.03 152.3 44.94 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.216 158.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.491 HG22 HD21 ' B' ' 170' ' ' ASN . 7.4 tp . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -173.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.95 -39.78 79.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.931 1.293 . . . . 0.0 112.702 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -71.94 -42.74 66.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.585 0.754 . . . . 0.0 112.198 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -62.06 -39.35 92.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.576 1.15 . . . . 0.0 111.656 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.66 -53.92 12.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.223 -0.923 . . . . 0.0 112.159 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.79 -38.47 90.76 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.08 -1.012 . . . . 0.0 113.48 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 -20.53 65.37 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -82.35 -50.26 9.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.696 1.198 . . . . 0.0 110.358 169.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.2 -28.92 70.02 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.599 -0.688 . . . . 0.0 112.652 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 77.9 p -69.38 -31.13 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.939 -1.101 . . . . 0.0 113.673 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -95.8 -21.4 18.15 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 150.15 49.25 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.865 1.266 . . . . 0.0 112.314 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 27.2 t -76.1 162.1 28.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.581 1.552 . . . . 0.0 113.018 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -51.84 -43.71 63.31 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.541 1.537 . . . . 0.0 112.419 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.491 HD21 HG22 ' B' ' 132' ' ' ILE . 12.8 m120 -64.76 -42.18 95.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.093 0.957 . . . . 0.0 113.127 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.51 -38.66 87.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.509 0.724 . . . . 0.0 112.16 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.57 -43.27 99.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.318 1.047 . . . . 0.0 112.217 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.27 -40.97 97.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.584 0.354 . . . . 0.0 111.934 172.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.98 69.87 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -40.34 96.67 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.24 0.927 . . . . 0.0 111.263 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.4 -42.14 88.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.829 1.251 . . . . 0.0 112.089 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.48 -48.3 78.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.629 0.772 . . . . 0.0 111.728 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.84 -45.17 95.54 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.436 -0.79 . . . . 0.0 112.623 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.38 -24.34 62.94 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.064 0.847 . . . . 0.0 113.122 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -75.66 -37.75 59.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.254 1.022 . . . . 0.0 112.873 170.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.3 -34.48 78.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.902 0.881 . . . . 0.0 112.827 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 177.293 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 120.716 0.293 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.75 -45.29 90.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.836 1.254 . . . . 0.0 110.507 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 m -69.73 -28.45 65.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.913 0.885 . . . . 0.0 112.234 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -68.91 -46.04 69.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.176 0.99 . . . . 0.0 112.066 169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.76 -32.35 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.6 1.16 . . . . 0.0 112.428 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.85 -19.92 58.51 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.82 -44.15 5.83 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.977 1.275 . . . . 0.0 113.717 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.82 159.75 33.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.733 1.213 . . . . 0.0 113.449 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.01 175.96 5.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.4 1.08 . . . . 0.0 113.782 -172.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -60.85 -28.57 68.94 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.71 -33.5 75.77 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.468 -0.77 . . . . 0.0 112.589 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -76.8 -37.57 55.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.281 1.032 . . . . 0.0 111.781 175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.89 -47.14 87.74 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.663 0.785 . . . . 0.0 110.995 171.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.92 72.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.488 -0.757 . . . . 0.0 112.992 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.84 80.77 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 113.051 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.13 -28.66 16.18 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.7 -33.19 27.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.849 1.259 . . . . 0.0 112.67 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.72 -136.08 35.89 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.77 1.176 . . . . 0.0 113.084 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.76 -23.58 65.09 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.578 1.151 . . . . 0.0 113.447 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.23 12.03 23.73 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.037 1.335 . . . . 0.0 114.453 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -57.2 139.15 53.5 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.876 -1.14 . . . . 0.0 110.403 162.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.479 1.021 0 C-N-CA 123.523 0.729 . . . . 0.0 112.711 -171.667 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.65 77.74 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.501 1.121 . . . . 0.0 113.07 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -74.05 -44.61 53.65 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.888 0.875 . . . . 0.0 111.102 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.38 -46.79 87.68 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.779 1.232 . . . . 0.0 111.798 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -62.06 -53.57 53.61 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.589 1.155 . . . . 0.0 111.728 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.96 -36.78 85.48 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.321 -0.862 . . . . 0.0 112.972 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 t -65.5 -34.48 78.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.73 1.212 . . . . 0.0 113.358 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -80.54 -38.91 28.74 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.725 1.148 . . . . 0.0 112.761 171.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.35 -37.31 67.3 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.272 1.029 . . . . 0.0 113.606 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -66.79 -22.82 66.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -85.7 -25.65 26.38 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.293 1.837 . . . . 0.0 112.903 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.53 150.19 47.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.571 1.548 . . . . 0.0 111.532 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.7 p -69.46 167.84 15.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.955 0.902 . . . . 0.0 112.539 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -57.89 -38.12 75.22 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.516 -0.74 . . . . 0.0 111.885 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -65.85 -43.3 88.87 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.678 -0.639 . . . . 0.0 112.05 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.37 -39.38 89.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.594 0.758 . . . . 0.0 112.214 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.69 -38.74 85.99 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.496 1.118 . . . . 0.0 112.566 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.9 mtm -70.28 -41.22 73.68 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.877 -0.515 . . . . 0.0 112.281 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.77 82.42 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -177.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.42 -38.0 88.62 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.042 0.837 . . . . 0.0 111.322 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.67 93.77 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.371 1.068 . . . . 0.0 112.305 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.522 1.129 . . . . 0.0 111.192 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.46 -47.65 85.21 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.657 0.783 . . . . 0.0 112.764 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.05 -24.15 64.14 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.34 -40.73 50.53 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.057 0.844 . . . . 0.0 112.377 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.8 -37.92 89.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.495 0.718 . . . . 0.0 111.981 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 177.804 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.11 -32.39 73.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.717 -0.614 . . . . 0.0 112.084 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 m -75.32 -43.8 48.85 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.133 0.973 . . . . 0.0 112.614 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.29 -48.33 61.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.166 0.986 . . . . 0.0 112.743 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -66.6 -24.36 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.446 . . . . 0.0 112.697 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -80.17 -25.46 39.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.903 -1.123 . . . . 0.0 113.895 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.07 -36.03 25.8 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.041 0.829 . . . . 0.0 114.171 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -76.83 176.72 8.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.741 1.617 . . . . 0.0 113.225 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.44 178.44 6.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.148 1.379 . . . . 0.0 113.309 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -58.93 -30.05 67.56 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -64.93 -33.42 75.97 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 112.507 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.01 -36.11 49.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.526 1.13 . . . . 0.0 111.711 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.32 -45.24 94.11 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 110.935 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.96 73.39 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 174.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.2 74.4 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.943 0.792 . . . . 0.0 112.703 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.87 -32.99 30.79 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.02 -38.31 53.17 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.754 1.161 . . . . 0.0 112.144 169.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.1 -132.29 30.8 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.528 0.585 . . . . 0.0 111.95 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.65 -16.6 61.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.82 -1.7 40.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.928 1.291 . . . . 0.0 113.99 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.09 150.65 42.14 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.421 HD13 ' HE2' ' B' ' 169' ' ' LYS . 8.6 tp . . . . . 0 N--CA 1.477 0.906 0 C-N-CA 123.986 0.915 . . . . 0.0 112.995 -173.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -37.88 27.45 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.109 1.364 . . . . 0.0 112.857 174.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.84 -44.57 66.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.439 1.096 . . . . 0.0 112.194 -175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -62.57 -46.96 85.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.029 0.932 . . . . 0.0 111.463 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.66 -48.93 75.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.45 1.1 . . . . 0.0 112.133 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.19 -37.76 88.35 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.421 -0.799 . . . . 0.0 112.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 45.6 t -61.89 -45.87 91.86 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.762 0.71 . . . . 0.0 111.675 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -63.51 -49.77 72.25 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.393 1.077 . . . . 0.0 111.728 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.84 -31.69 72.95 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.761 0.824 . . . . 0.0 112.66 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.4 t -61.49 -38.52 87.61 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.956 -1.09 . . . . 0.0 112.274 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -80.08 -27.32 39.3 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.067 1.347 . . . . 0.0 114.609 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.33 155.5 39.36 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.767 1.227 . . . . 0.0 113.056 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 46.6 t -71.71 157.49 37.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.094 1.357 . . . . 0.0 113.038 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' B' ' 132' ' ' ILE . 56.5 tttt -54.22 -43.05 70.49 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.391 1.076 . . . . 0.0 111.944 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.404 HD21 HG22 ' B' ' 132' ' ' ILE . 24.7 m120 -59.96 -41.66 92.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.62 -40.39 88.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.293 0.637 . . . . 0.0 112.161 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.66 -42.87 99.51 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.79 -42.45 99.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.603 0.638 . . . . 0.0 112.14 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.81 69.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.61 -38.58 87.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.032 0.833 . . . . 0.0 111.878 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.03 91.03 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.995 0.918 . . . . 0.0 112.37 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.22 -50.3 73.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.715 0.806 . . . . 0.0 110.634 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.47 -50.48 73.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.543 0.737 . . . . 0.0 112.747 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.76 -26.17 65.99 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.044 0.838 . . . . 0.0 112.998 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -79.62 -33.09 41.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.224 1.01 . . . . 0.0 112.855 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -68.92 -38.56 79.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.309 1.044 . . . . 0.0 112.601 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.73 -42.0 91.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.99 0.516 . . . . 0.0 110.62 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -61.5 -39.16 89.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.802 0.841 . . . . 0.0 112.764 174.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -67.39 -50.33 60.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.133 -0.98 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.03 -31.75 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.634 1.174 . . . . 0.0 112.44 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.03 -22.48 60.63 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.083 . . . . 0.0 113.752 171.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.92 -42.91 5.54 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.845 1.212 . . . . 0.0 114.589 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 165.49 25.06 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.65 1.18 . . . . 0.0 113.154 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 177.08 4.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.821 1.248 . . . . 0.0 113.743 -173.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -58.0 -28.98 64.91 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -67.0 -34.75 78.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.078 0.951 . . . . 0.0 112.378 172.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.52 -35.23 53.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.929 1.291 . . . . 0.0 112.076 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.28 -45.21 89.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.34 0.656 . . . . 0.0 110.776 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.9 72.22 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.211 -0.93 . . . . 0.0 113.155 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.09 -17.98 63.93 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.84 -30.5 6.73 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.62 -36.43 62.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.994 1.318 . . . . 0.0 112.261 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.72 -120.88 20.86 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.924 1.25 . . . . 0.0 112.736 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.03 -24.68 66.36 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -87.99 3.74 47.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.779 1.232 . . . . 0.0 113.322 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.18 142.88 58.22 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.308 -0.87 . . . . 0.0 111.796 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 123.944 0.898 . . . . 0.0 113.115 -171.02 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -70.74 -47.06 61.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.111 1.764 . . . . 0.0 110.876 -176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -57.99 -51.72 68.51 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.97 -37.28 84.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -76.9 -53.72 7.51 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.737 0.815 . . . . 0.0 112.026 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.24 -36.81 85.29 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.197 -0.939 . . . . 0.0 112.888 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.3 t -62.44 -32.35 73.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.614 0.765 . . . . 0.0 112.65 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -76.02 -47.58 24.26 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.062 -1.024 . . . . 0.0 110.837 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.6 -23.19 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -73.35 -32.79 64.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.006 -1.684 . . . . 0.0 112.873 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -79.09 -37.77 37.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.393 1.477 . . . . 0.0 113.4 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.9 144.6 56.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.54 1.136 . . . . 0.0 112.29 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -71.03 159.41 34.79 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.289 1.435 . . . . 0.0 112.136 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -43.47 -52.96 5.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.003 1.721 . . . . 0.0 112.233 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -67.03 -35.76 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.632 1.173 . . . . 0.0 112.786 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.21 -40.57 86.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.205 1.002 . . . . 0.0 112.097 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.23 -44.22 88.95 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.097 0.959 . . . . 0.0 111.78 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -58.25 -36.9 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.742 0.817 . . . . 0.0 112.301 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.97 -50.24 17.32 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -34.88 78.7 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 120.924 -1.11 . . . . 0.0 112.472 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.05 77.88 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.028 0.931 . . . . 0.0 112.563 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.418 -0.802 . . . . 0.0 110.734 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -55.52 -51.31 67.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.373 1.069 . . . . 0.0 112.982 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.83 -24.37 64.37 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -75.55 -41.63 54.37 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.805 1.242 . . . . 0.0 111.996 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.56 -33.4 74.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.39 1.076 . . . . 0.0 112.468 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.043 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -35.58 80.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.798 1.239 . . . . 0.0 112.063 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 26.3 t -63.19 -35.03 78.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.805 0.842 . . . . 0.0 112.358 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -72.48 -48.62 39.33 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.154 -0.967 . . . . 0.0 111.784 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.44 -32.02 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.431 1.092 . . . . 0.0 113.017 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -72.63 -20.79 61.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.475 1.11 . . . . 0.0 113.878 172.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.37 -32.5 6.97 Favored Glycine 0 CA--C 1.543 1.823 0 C-N-CA 124.324 0.964 . . . . 0.0 114.918 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.08 179.98 4.7 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.181 1.392 . . . . 0.0 113.819 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.68 175.01 9.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.837 1.255 . . . . 0.0 113.172 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.92 -28.33 67.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -171.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.65 -33.57 76.2 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.185 -0.947 . . . . 0.0 112.443 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -74.89 -36.16 62.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.104 . . . . 0.0 111.833 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.73 -46.55 84.89 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.31 0.644 . . . . 0.0 111.274 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.71 -31.32 71.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.82 -21.37 63.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -28.64 7.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -75.1 -34.36 61.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.64 1.176 . . . . 0.0 111.601 168.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.06 -132.51 42.92 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.921 1.248 . . . . 0.0 113.353 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -65.93 -16.89 64.27 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.046 0.938 . . . . 0.0 113.332 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -96.24 11.53 34.19 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.604 1.562 . . . . 0.0 113.321 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -57.45 153.52 12.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.999 1.32 . . . . 0.0 112.344 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.7 tp . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 124.256 1.022 . . . . 0.0 112.566 -173.407 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -73.21 -53.57 10.6 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.397 1.879 . . . . 0.0 110.287 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.88 -47.39 85.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.829 0.852 . . . . 0.0 112.869 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.59 -49.05 67.63 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.681 -0.637 . . . . 0.0 112.155 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -64.75 -44.53 89.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.807 0.843 . . . . 0.0 112.329 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.23 -34.1 76.74 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.31 -0.869 . . . . 0.0 112.297 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 23.7 t -66.03 -44.3 85.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.326 0.65 . . . . 0.0 111.516 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -56.22 -48.5 76.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.631 1.105 . . . . 0.0 111.165 173.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.43 -23.87 63.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 42.8 t -70.18 -40.24 74.77 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.005 -1.059 . . . . 0.0 111.877 167.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -75.14 -41.59 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.646 1.578 . . . . 0.0 114.86 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.63 156.39 35.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 113.066 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.2 t -70.76 155.89 40.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.965 1.306 . . . . 0.0 112.739 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.41 -37.78 57.45 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.104 1.362 . . . . 0.0 112.307 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -66.55 -40.41 89.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.796 0.838 . . . . 0.0 112.599 174.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.03 -38.87 83.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.016 0.926 . . . . 0.0 112.323 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.73 -41.03 94.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.283 1.433 . . . . 0.0 112.085 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.51 -47.29 84.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.535 0.607 . . . . 0.0 111.335 169.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.43 76.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.28 -38.47 90.36 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.17 0.896 . . . . 0.0 111.233 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.68 92.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.982 0.913 . . . . 0.0 111.738 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -46.5 89.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.218 1.007 . . . . 0.0 111.194 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.58 -47.86 81.97 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.334 -0.854 . . . . 0.0 112.741 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.45 -23.2 62.67 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.518 1.054 . . . . 0.0 113.512 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -73.82 -40.69 63.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.864 1.266 . . . . 0.0 112.187 171.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -69.2 -28.33 66.29 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.036 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.59 -35.91 82.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.198 1.363 . . . . 0.0 111.618 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 m -76.23 -39.17 55.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.081 0.953 . . . . 0.0 112.337 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -65.55 -47.54 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.51 0.724 . . . . 0.0 112.678 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.51 -25.2 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.1 1.36 . . . . 0.0 113.086 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.91 -18.89 35.86 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.039 -1.038 . . . . 0.0 113.792 171.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.71 -36.01 8.86 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.926 1.251 . . . . 0.0 114.419 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.7 173.39 9.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.299 1.44 . . . . 0.0 112.999 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 173.54 6.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.27 1.028 . . . . 0.0 113.507 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.21 -28.51 68.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.322 1.049 . . . . 0.0 113.587 -173.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 112.431 173.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -76.54 -36.92 57.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 111.566 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.99 -47.83 84.22 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.065 0.546 . . . . 0.0 110.82 170.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.42 80.42 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.96 92.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.56 -29.03 18.09 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.97 -39.35 56.15 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.613 1.165 . . . . 0.0 112.086 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.93 -126.54 37.02 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 112.904 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.84 -26.16 67.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.438 1.095 . . . . 0.0 113.131 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -80.89 1.08 32.38 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.925 1.29 . . . . 0.0 113.712 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.6 148.82 36.9 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.156 -0.965 . . . . 0.0 111.862 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp . . . . . 0 CA--C 1.544 0.729 0 C-N-CA 124.109 0.963 . . . . 0.0 112.844 -171.771 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 . . . . . 0 N--CA 1.471 0.58 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -67.34 -50.21 60.88 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.791 1.636 . . . . 0.0 111.582 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -61.8 -51.36 68.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.492 0.717 . . . . 0.0 112.478 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -63.43 -48.6 77.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 112.496 -173.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.29 -51.8 58.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.774 . . . . 0.0 111.935 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -37.77 88.63 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.48 -0.762 . . . . 0.0 112.388 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -63.73 -48.22 77.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.542 0.737 . . . . 0.0 112.015 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.49 -38.93 85.11 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.432 -0.793 . . . . 0.0 112.728 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.5 -29.32 69.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.144 0.884 . . . . 0.0 112.686 174.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.0 -23.11 62.12 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -82.03 -38.18 25.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 113.528 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.0 152.85 42.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.752 1.221 . . . . 0.0 113.224 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -70.65 160.79 31.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.144 1.377 . . . . 0.0 113.002 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -55.09 -41.0 71.04 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.931 1.292 . . . . 0.0 111.851 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -65.6 -40.74 93.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.293 0.637 . . . . 0.0 112.631 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.57 -38.38 80.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.164 0.985 . . . . 0.0 112.549 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.7 -40.51 95.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.727 1.211 . . . . 0.0 111.976 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.0 mtm -63.06 -45.2 93.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.971 0.351 . . . . 0.0 111.669 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.45 71.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.19 -36.83 84.1 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.134 -0.979 . . . . 0.0 111.346 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.78 89.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.071 0.949 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.69 -48.32 79.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.559 0.744 . . . . 0.0 110.945 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.24 -46.23 89.79 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.34 -27.54 67.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.344 0.975 . . . . 0.0 113.119 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -73.74 -38.1 64.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.094 0.958 . . . . 0.0 112.765 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -71.65 -34.14 69.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.617 0.767 . . . . 0.0 112.644 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.544 0.717 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.156 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.515 0.197 . . . . 0.0 111.273 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.94 -42.87 99.6 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 110.682 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -62.61 -40.04 95.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.066 1.346 . . . . 0.0 112.141 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.01 -46.68 73.76 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.126 -0.984 . . . . 0.0 111.999 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.75 -28.06 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.304 1.042 . . . . 0.0 112.457 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.7 -25.11 44.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.439 -1.413 . . . . 0.0 114.57 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.53 -36.62 29.41 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.228 0.918 . . . . 0.0 114.129 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.01 171.42 15.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.389 1.476 . . . . 0.0 112.895 174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.91 177.04 5.46 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.024 1.33 . . . . 0.0 113.626 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -58.93 -29.25 66.96 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.21 -34.84 78.93 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.369 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.31 -34.64 55.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.28 -48.06 83.16 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.462 0.705 . . . . 0.0 110.409 170.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.44 71.26 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.71 65.12 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.06 -29.71 10.72 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.33 -37.27 68.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.887 1.275 . . . . 0.0 111.743 169.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.93 -129.79 38.66 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.129 0.871 . . . . 0.0 112.502 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -64.34 -19.2 65.3 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.35 7.4 22.56 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.607 1.163 . . . . 0.0 114.007 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.22 155.81 16.73 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.884 -1.135 . . . . 0.0 112.376 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.461 HG22 HD21 ' B' ' 170' ' ' ASN . 7.0 tp . . . . . 0 N--CA 1.474 0.733 0 C-N-CA 124.618 1.167 . . . . 0.0 113.203 -172.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -76.75 -39.47 51.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.529 1.132 . . . . 0.0 112.934 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -72.41 -44.57 62.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.711 0.804 . . . . 0.0 112.291 -173.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -66.3 -28.88 69.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.33 1.052 . . . . 0.0 112.559 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -77.51 -52.13 9.57 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.969 1.308 . . . . 0.0 111.864 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.64 -36.96 84.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.942 0.897 . . . . 0.0 112.953 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 89.8 p -70.13 -19.78 63.2 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -77.47 -49.46 14.73 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.855 -1.153 . . . . 0.0 111.157 161.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -30.98 66.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.373 1.069 . . . . 0.0 113.408 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 93.0 p -68.41 -34.35 75.85 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.399 0.999 . . . . 0.0 113.547 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -81.09 -36.62 30.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.76 1.624 . . . . 0.0 113.361 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.38 149.33 50.17 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.698 1.199 . . . . 0.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 45.3 t -72.61 156.46 38.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.986 1.314 . . . . 0.0 111.955 176.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -56.05 -35.89 67.42 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.992 -1.068 . . . . 0.0 112.841 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.461 HD21 HG22 ' B' ' 132' ' ' ILE . 16.0 m120 -62.85 -41.17 99.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.564 0.746 . . . . 0.0 112.053 173.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.21 -38.29 81.77 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.583 0.753 . . . . 0.0 111.991 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.58 -43.58 98.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.771 0.714 . . . . 0.0 112.25 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.23 -41.72 97.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.331 0.514 . . . . 0.0 111.463 173.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.83 -56.76 10.23 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.06 -37.28 82.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.181 0.901 . . . . 0.0 112.265 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.15 93.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.053 0.941 . . . . 0.0 112.213 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -42.22 75.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.405 -0.81 . . . . 0.0 110.756 175.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -57.36 -53.17 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.377 -0.827 . . . . 0.0 112.363 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.99 -27.88 66.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -74.17 -38.0 63.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.686 1.194 . . . . 0.0 112.351 174.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.76 -41.86 67.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.132 0.973 . . . . 0.0 112.061 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 . . . . . 0 CA--C 1.539 0.549 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.14 -55.96 13.8 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.314 0.961 . . . . 0.0 110.831 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.3 m -65.35 -28.78 69.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.764 0.826 . . . . 0.0 112.836 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -64.7 -53.33 48.92 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.091 0.956 . . . . 0.0 111.621 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -70.15 -29.56 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.918 1.287 . . . . 0.0 112.986 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -25.04 61.49 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.804 -1.185 . . . . 0.0 113.341 172.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.76 -35.92 27.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.977 0.798 . . . . 0.0 114.64 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.56 176.23 9.97 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.72 1.608 . . . . 0.0 112.99 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.56 178.53 6.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.04 1.336 . . . . 0.0 113.295 -177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -59.46 -28.94 67.44 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.01 -35.04 79.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.26 -0.9 . . . . 0.0 112.557 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.11 -38.64 51.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.542 1.137 . . . . 0.0 111.804 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.67 -45.47 94.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.226 0.61 . . . . 0.0 110.95 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 -33.58 75.79 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.84 78.91 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.491 -0.756 . . . . 0.0 112.914 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -29.45 25.83 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -79.51 -40.33 29.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.089 0.955 . . . . 0.0 112.0 169.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.0 -117.05 9.74 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.483 1.04 . . . . 0.0 113.38 174.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -35.93 60.8 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.486 1.514 . . . . 0.0 112.75 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -92.5 12.33 23.28 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.865 1.266 . . . . 0.0 114.333 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.92 147.97 48.8 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.678 -1.263 . . . . 0.0 112.182 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp . . . . . 0 N--CA 1.473 0.709 0 C-N-CA 124.554 1.142 . . . . 0.0 113.311 -171.621 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -66.86 -48.87 67.48 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.796 1.239 . . . . 0.0 112.934 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.5 -29.91 46.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.517 0.727 . . . . 0.0 112.175 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -62.87 -46.86 85.88 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.495 1.043 . . . . 0.0 112.325 173.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -63.4 -47.44 81.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.581 0.753 . . . . 0.0 111.596 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.65 -34.05 75.04 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.67 0.788 . . . . 0.0 112.885 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.4 t -66.18 -27.92 68.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.426 1.49 . . . . 0.0 114.087 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -77.71 -47.3 19.46 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.676 -1.265 . . . . 0.0 110.864 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.45 -39.38 67.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.107 1.363 . . . . 0.0 113.048 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.4 p -69.46 -27.41 65.21 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -83.95 -39.07 20.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.227 1.411 . . . . 0.0 113.575 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.87 149.6 49.22 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.359 1.064 . . . . 0.0 112.756 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.5 t -68.57 160.06 30.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.878 1.271 . . . . 0.0 112.18 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -58.33 -38.14 76.54 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.944 -1.097 . . . . 0.0 112.432 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -60.21 -42.06 94.35 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.25 -0.906 . . . . 0.0 112.497 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.13 -42.2 80.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.794 0.837 . . . . 0.0 112.049 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.02 -44.3 91.71 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.627 1.171 . . . . 0.0 111.54 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.2 mtm -61.78 -45.99 91.49 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.5 84.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.75 -40.14 79.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.013 0.824 . . . . 0.0 111.397 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.31 86.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.428 1.091 . . . . 0.0 112.172 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.18 -44.3 88.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.978 0.808 . . . . 0.0 111.053 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.34 -44.34 97.35 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.946 0.898 . . . . 0.0 113.121 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.26 -23.82 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.57 -37.61 65.47 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.672 1.189 . . . . 0.0 111.707 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.11 -38.19 90.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.044 1.338 . . . . 0.0 112.462 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.644 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.22 -40.47 90.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.451 1.101 . . . . 0.0 111.427 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.8 m -65.89 -33.07 75.0 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.985 0.914 . . . . 0.0 112.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -76.24 -44.9 35.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.348 0.522 . . . . 0.0 111.991 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.409 HD13 HD21 ' B' ' 118' ' ' LEU . 25.7 mm -63.52 -31.99 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.358 1.063 . . . . 0.0 112.962 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -69.74 -29.18 66.48 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.21 -35.12 11.25 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.524 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.409 HD21 HD13 ' B' ' 115' ' ' ILE . 2.5 pp -75.74 178.59 6.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.828 1.251 . . . . 0.0 113.844 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 175.86 8.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.767 1.227 . . . . 0.0 113.145 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -59.19 -29.26 67.34 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -64.86 -33.76 76.77 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 174.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -77.18 -33.47 56.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.632 1.173 . . . . 0.0 111.996 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.06 -49.19 73.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.092 0.557 . . . . 0.0 110.87 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.42 68.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.39 63.76 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.4 -26.96 8.47 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.22 -35.82 58.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.353 1.061 . . . . 0.0 111.831 170.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.18 -129.05 45.42 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.846 0.736 . . . . 0.0 112.439 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.46 -24.61 65.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.674 1.19 . . . . 0.0 113.466 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -84.31 1.85 43.0 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.809 1.244 . . . . 0.0 114.195 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.75 146.06 53.34 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.086 -1.009 . . . . 0.0 111.932 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 tp . . . . . 0 CA--C 1.55 0.952 0 C-N-CA 124.123 0.969 . . . . 0.0 112.571 -173.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -70.63 -41.55 72.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.98 0.912 . . . . 0.0 112.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.39 -43.54 85.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.237 0.615 . . . . 0.0 112.003 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.89 -51.74 63.15 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.237 1.015 . . . . 0.0 112.443 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.58 -47.47 69.68 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.377 0.671 . . . . 0.0 111.895 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -66.47 -36.51 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.166 -0.959 . . . . 0.0 112.39 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 37.8 t -66.96 -41.08 87.51 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.628 0.649 . . . . 0.0 112.081 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.506 -0.746 . . . . 0.0 111.484 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.94 -25.0 66.13 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 43.4 t -68.59 -35.56 77.53 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.833 -1.167 . . . . 0.0 112.424 171.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -70.85 -43.53 68.28 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.778 1.231 . . . . 0.0 113.336 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.09 154.64 40.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.194 1.397 . . . . 0.0 112.739 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 55.1 p -74.6 164.93 26.01 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.891 -1.13 . . . . 0.0 112.783 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -54.07 -43.47 70.3 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.019 -1.05 . . . . 0.0 111.827 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.12 -40.98 99.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.971 0.909 . . . . 0.0 112.151 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.99 -41.24 95.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.557 0.743 . . . . 0.0 112.408 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.3 -41.53 97.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.347 1.059 . . . . 0.0 112.296 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.1 mtm -62.61 -40.88 98.37 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.422 0.556 . . . . 0.0 112.04 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.19 61.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.86 -38.62 91.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.014 0.824 . . . . 0.0 111.643 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.72 82.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.898 0.879 . . . . 0.0 112.384 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.51 -48.22 80.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.129 0.972 . . . . 0.0 110.936 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -55.97 -52.3 64.64 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.839 1.255 . . . . 0.0 113.075 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.34 -23.67 63.8 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -76.78 -40.29 48.68 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.644 1.111 . . . . 0.0 113.001 168.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.55 -36.96 84.28 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.755 0.822 . . . . 0.0 112.086 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 177.484 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.71 -35.43 76.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.267 1.027 . . . . 0.0 111.8 -177.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 t -64.91 -38.92 92.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.046 0.938 . . . . 0.0 112.137 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.28 -48.42 61.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.594 -0.691 . . . . 0.0 111.643 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -63.96 -31.79 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.131 1.372 . . . . 0.0 113.225 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -78.69 -20.79 49.32 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.67 -36.45 9.4 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.432 1.015 . . . . 0.0 114.479 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.15 174.86 7.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.183 1.393 . . . . 0.0 113.1 176.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.57 175.72 7.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.218 1.407 . . . . 0.0 113.609 -178.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -60.88 -27.11 67.9 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -65.32 -31.82 73.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.903 0.881 . . . . 0.0 113.086 170.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -79.34 -36.41 39.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.289 1.036 . . . . 0.0 111.326 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.23 -47.78 78.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.634 0.773 . . . . 0.0 111.085 174.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.86 71.6 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.145 -0.972 . . . . 0.0 112.957 176.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.98 -19.33 63.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.44 -28.03 8.74 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.53 1.059 . . . . 0.0 113.744 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.57 -39.67 64.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.89 1.276 . . . . 0.0 112.097 171.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.82 -124.83 36.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.661 1.124 . . . . 0.0 112.527 172.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.12 -32.51 69.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.775 1.23 . . . . 0.0 113.496 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.2 6.2 30.61 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.19 157.81 1.76 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.707 1.603 . . . . 0.0 114.418 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 CA--C 1.543 0.685 0 O-C-N 121.057 -1.027 . . . . 0.0 112.749 -176.461 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.91 -39.64 83.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.157 1.383 . . . . 0.0 112.772 177.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.29 -44.68 78.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 111.301 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.83 -45.6 88.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.011 0.925 . . . . 0.0 112.563 176.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.71 -50.77 71.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.962 0.905 . . . . 0.0 111.488 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.64 -39.65 85.06 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.858 0.863 . . . . 0.0 112.267 176.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.2 m -66.86 -26.69 67.02 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -78.94 -50.55 10.99 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.238 0.926 . . . . 0.0 111.184 170.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.45 -27.82 67.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -67.87 -41.23 83.15 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.861 1.21 . . . . 0.0 113.323 173.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -81.01 -28.41 35.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.12 145.87 49.45 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.964 0.802 . . . . 0.0 112.114 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.8 t -64.79 152.87 41.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 176.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -57.14 -31.55 65.46 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.943 -1.098 . . . . 0.0 111.991 173.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.91 -42.66 97.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.741 0.816 . . . . 0.0 112.267 172.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.89 -36.73 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.858 0.863 . . . . 0.0 112.163 173.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.56 -43.76 98.01 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.203 0.911 . . . . 0.0 112.793 173.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 50.7 mtm -59.3 -43.97 92.58 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.507 0.594 . . . . 0.0 111.7 172.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.02 63.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.34 -42.39 98.93 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.545 1.066 . . . . 0.0 111.818 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.81 89.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.675 0.79 . . . . 0.0 111.245 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.02 -51.64 63.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.241 1.016 . . . . 0.0 111.159 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -56.34 -52.25 65.24 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.865 0.757 . . . . 0.0 112.714 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.06 -24.46 65.07 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -77.74 -45.08 25.73 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.811 0.844 . . . . 0.0 112.233 168.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -64.64 -34.59 78.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.922 0.889 . . . . 0.0 112.358 -175.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 174.734 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 . . . . . 0 CA--C 1.54 0.579 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -29.37 70.09 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.219 -0.926 . . . . 0.0 112.486 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 -38.84 27.7 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.804 1.242 . . . . 0.0 112.06 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.93 -42.73 99.44 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.137 0.975 . . . . 0.0 111.979 176.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.6 mm -66.77 -24.82 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 124.755 1.222 . . . . 0.0 113.543 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.04 -25.04 34.97 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 167.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.84 -32.35 45.64 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.264 -0.898 . . . . 0.0 114.708 -178.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.68 -178.94 4.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.973 1.709 . . . . 0.0 113.544 175.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 173.28 11.07 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.003 1.321 . . . . 0.0 113.388 176.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -59.53 -28.2 66.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.68 -31.39 72.03 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.35 -35.68 63.6 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.385 1.074 . . . . 0.0 112.031 173.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.52 -46.07 81.05 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.741 0.816 . . . . 0.0 110.694 172.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.86 70.28 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.24 -0.913 . . . . 0.0 112.866 175.204 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.21 -17.12 63.75 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 177.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.81 -28.56 6.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.627 1.171 . . . . 0.0 114.132 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.47 -38.94 65.26 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.51 1.124 . . . . 0.0 111.429 169.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.16 35.05 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.444 1.021 . . . . 0.0 113.244 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -61.88 -21.83 65.03 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.92 6.25 42.84 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.283 1.833 . . . . 0.0 113.069 177.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.99 147.0 40.54 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.161 -0.962 . . . . 0.0 112.093 173.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.506 HG22 HD21 ' B' ' 170' ' ' ASN . 6.6 tp . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -168.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 . . . . . 0 N--CA 1.475 0.818 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.27 -36.81 74.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.05 0.94 . . . . 0.0 113.124 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.34 -42.67 74.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.998 0.919 . . . . 0.0 111.209 177.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -65.17 -40.57 94.49 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.89 -52.05 47.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.56 1.144 . . . . 0.0 111.594 177.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.87 -37.01 82.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.54 0.736 . . . . 0.0 112.746 176.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.3 t -58.0 -43.86 86.88 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.05 0.94 . . . . 0.0 111.931 176.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -72.0 -47.03 54.88 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.106 -0.996 . . . . 0.0 111.839 176.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.03 -37.57 83.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.766 0.827 . . . . 0.0 112.718 -178.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 98.8 p -66.54 -29.45 69.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -91.31 -30.88 16.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.473 1.509 . . . . 0.0 114.222 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.17 157.72 24.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.81 1.244 . . . . 0.0 112.807 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 153.82 42.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.994 0.918 . . . . 0.0 112.528 177.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -54.46 -36.8 64.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.23 1.412 . . . . 0.0 111.949 167.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.506 HD21 HG22 ' B' ' 132' ' ' ILE . 33.2 m120 -68.09 -43.73 77.85 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.63 -0.669 . . . . 0.0 112.265 174.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.67 -37.09 86.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.287 1.035 . . . . 0.0 112.352 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.34 -43.05 96.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.653 1.181 . . . . 0.0 113.026 175.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.3 -46.45 88.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.857 1.208 . . . . 0.0 111.534 172.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.69 -44.16 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.56 -40.68 96.01 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.088 0.858 . . . . 0.0 111.059 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.33 88.49 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.501 178.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.71 -47.37 84.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.525 0.73 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.47 -49.72 76.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.655 0.782 . . . . 0.0 112.665 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.96 -23.19 60.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -76.76 -34.95 58.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.974 0.91 . . . . 0.0 112.099 172.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -69.32 -35.88 76.4 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.779 0.831 . . . . 0.0 113.063 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 CA--C 1.541 0.634 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.685 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.36 -43.25 98.19 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.113 175.137 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -63.46 -31.79 73.04 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.275 1.03 . . . . 0.0 112.997 175.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.64 -47.46 69.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.041 -1.037 . . . . 0.0 111.538 173.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -66.35 -32.48 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.878 1.271 . . . . 0.0 112.777 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.33 -25.27 61.49 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.975 -1.078 . . . . 0.0 113.176 171.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.3 -37.46 8.98 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.806 1.193 . . . . 0.0 115.49 -176.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.69 169.95 13.35 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.349 175.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 172.7 7.01 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.668 1.187 . . . . 0.0 113.835 -177.427 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -62.65 -24.21 67.5 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -177.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.49 -32.74 74.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.942 0.792 . . . . 0.0 112.63 169.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.53 -38.84 54.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.094 0.958 . . . . 0.0 111.207 174.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.31 -46.33 89.23 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 111.428 174.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.93 74.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.373 -0.829 . . . . 0.0 113.08 176.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -35.45 79.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 176.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.29 -27.91 16.53 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -177.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.99 -40.27 39.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.65 1.18 . . . . 0.0 112.527 171.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 -122.59 30.37 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.167 0.889 . . . . 0.0 112.876 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -60.24 -30.53 69.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -83.86 3.87 31.89 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.744 1.218 . . . . 0.0 113.077 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -57.68 147.28 28.09 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.783 0.833 . . . . 0.0 113.206 177.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tp . . . . . 0 N--CA 1.467 0.402 0 C-N-CA 124.56 1.144 . . . . 0.0 112.988 -173.571 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -36.77 85.41 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.191 0.996 . . . . 0.0 113.243 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -73.11 -48.22 37.55 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.238 1.015 . . . . 0.0 111.651 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.12 -46.43 90.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.754 0.822 . . . . 0.0 111.436 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.14 -56.13 24.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.262 1.025 . . . . 0.0 111.557 -179.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.4 -39.03 85.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.667 0.667 . . . . 0.0 112.559 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.1 m -64.67 -47.46 78.34 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.784 -0.573 . . . . 0.0 112.268 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -70.41 -41.02 73.51 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.284 0.947 . . . . 0.0 113.027 178.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.47 -30.9 65.43 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.735 1.152 . . . . 0.0 112.246 178.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -66.63 -33.35 75.47 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.368 -0.832 . . . . 0.0 113.143 174.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.12 -23.86 21.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.884 1.274 . . . . 0.0 113.712 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.3 153.16 35.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.826 0.851 . . . . 0.0 111.374 171.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -66.79 153.83 42.36 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.486 1.115 . . . . 0.0 112.417 175.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.84 -34.11 39.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.685 1.594 . . . . 0.0 111.96 166.339 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -70.07 -44.28 69.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.742 1.217 . . . . 0.0 112.738 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.97 -35.96 81.13 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.201 1.0 . . . . 0.0 112.515 176.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.68 -45.91 90.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.967 0.907 . . . . 0.0 112.02 174.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.0 mtm -60.06 -44.27 94.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 171.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.96 76.14 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -35.84 78.67 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.367 -0.833 . . . . 0.0 111.943 178.32 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.0 89.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.706 0.802 . . . . 0.0 112.292 174.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.96 -40.7 97.01 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.308 -0.87 . . . . 0.0 111.052 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -56.53 -53.15 60.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.145 0.978 . . . . 0.0 112.832 172.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.34 -22.84 62.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.58 -36.66 63.05 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.849 1.26 . . . . 0.0 112.477 171.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.8 -32.69 72.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.459 1.104 . . . . 0.0 113.044 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.684 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -43.31 98.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.385 0.674 . . . . 0.0 111.248 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 21.9 m -66.39 -35.8 81.23 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.789 0.836 . . . . 0.0 112.618 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.96 -50.13 69.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.596 0.759 . . . . 0.0 111.679 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.69 -28.35 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.98 1.312 . . . . 0.0 113.161 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -76.15 -28.16 57.27 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.009 -1.057 . . . . 0.0 113.261 170.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.42 -38.0 26.17 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.42 1.009 . . . . 0.0 114.441 -177.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.55 175.15 7.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.505 1.522 . . . . 0.0 113.234 175.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 173.79 7.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.918 1.287 . . . . 0.0 113.561 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.53 -28.14 68.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -66.7 -35.36 79.95 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.294 1.038 . . . . 0.0 112.144 173.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.73 -37.14 67.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.755 0.822 . . . . 0.0 111.733 173.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.65 -46.94 87.6 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.627 -0.671 . . . . 0.0 110.995 172.153 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.24 -32.4 72.19 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.148 0.885 . . . . 0.0 113.323 175.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.09 78.94 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 175.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.15 -30.5 15.92 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -177.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.67 -36.64 57.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.85 1.26 . . . . 0.0 111.573 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.08 -130.0 38.38 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.352 0.977 . . . . 0.0 112.615 177.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.4 -23.62 66.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.36 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -80.81 1.24 31.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -58.13 145.21 37.66 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.262 -0.899 . . . . 0.0 111.547 173.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.501 HG22 HD21 ' B' ' 170' ' ' ASN . 6.8 tp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.035 0.934 . . . . 0.0 113.397 -166.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.6 -59.24 2.82 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.364 1.465 . . . . 0.0 111.725 -168.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.08 -31.42 69.01 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -174.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.38 -46.79 72.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 112.379 174.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.13 -43.7 73.84 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.13 0.972 . . . . 0.0 111.79 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.09 -39.54 92.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.817 0.847 . . . . 0.0 112.114 175.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.6 t -62.44 -51.28 68.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.204 0.601 . . . . 0.0 111.004 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -57.24 -45.77 83.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.606 0.762 . . . . 0.0 112.371 -179.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.33 -19.15 62.34 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 25.9 t -73.66 -43.33 59.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.156 -1.59 . . . . 0.0 110.968 166.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -71.52 -38.98 71.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.391 1.876 . . . . 0.0 114.58 -177.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.09 157.13 35.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.428 1.091 . . . . 0.0 112.393 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 20.2 m -72.16 152.33 42.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.242 1.017 . . . . 0.0 111.672 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.34 -30.38 66.67 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.777 -1.202 . . . . 0.0 113.345 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.501 HD21 HG22 ' B' ' 132' ' ' ILE . 22.8 m120 -65.73 -41.25 92.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.751 1.22 . . . . 0.0 112.583 171.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.24 -40.15 82.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.501 1.12 . . . . 0.0 111.824 176.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.11 -45.81 79.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.366 1.066 . . . . 0.0 112.236 172.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 60.5 mtm -62.29 -43.42 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.678 0.672 . . . . 0.0 112.279 174.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.09 69.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.47 -38.17 86.72 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.62 78.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.872 0.869 . . . . 0.0 112.769 177.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -48.38 59.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.635 0.774 . . . . 0.0 110.251 174.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.2 -49.31 78.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.18 -27.4 67.98 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -80.35 -32.82 37.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.626 1.57 . . . . 0.0 112.672 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.36 -38.35 63.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.923 0.889 . . . . 0.0 112.449 176.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -178.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.68 -41.57 99.17 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.248 -0.907 . . . . 0.0 110.531 170.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -66.91 -33.41 75.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.018 0.927 . . . . 0.0 112.796 175.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.49 -47.9 68.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.856 0.862 . . . . 0.0 112.085 173.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -65.14 -31.13 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.807 1.243 . . . . 0.0 112.628 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.34 -28.21 67.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.435 1.094 . . . . 0.0 113.687 168.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.12 52.72 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.464 1.031 . . . . 0.0 115.479 -174.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -101.04 -179.1 3.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.762 1.625 . . . . 0.0 114.239 -174.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.8 175.22 8.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.334 1.454 . . . . 0.0 113.097 -176.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.85 -29.79 67.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -171.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.96 -32.1 73.12 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.669 -0.644 . . . . 0.0 112.624 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -79.78 -27.66 40.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 112.013 175.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.33 -48.16 62.26 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 111.065 169.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.66 67.09 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 0.0 113.258 177.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -17.41 64.45 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -121.65 -25.78 5.03 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.3 -36.34 74.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.786 1.234 . . . . 0.0 112.128 171.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.52 -123.09 29.08 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.915 1.245 . . . . 0.0 114.009 171.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.0 -25.08 67.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.392 1.477 . . . . 0.0 113.168 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -97.51 12.64 32.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.451 1.5 . . . . 0.0 113.672 179.135 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.27 149.54 28.41 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.263 -0.898 . . . . 0.0 111.514 169.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 HD21 ' A' ' 70' ' ' ASN . 8.4 tp . . . . . 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 113.161 -173.26 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -71.43 -41.21 69.79 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.619 1.168 . . . . 0.0 111.623 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.07 -42.5 72.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.61 1.164 . . . . 0.0 112.034 -178.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -63.25 -51.51 65.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.986 0.515 . . . . 0.0 111.675 177.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.76 -43.97 91.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.6 tp -65.73 -40.33 92.06 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.073 -1.017 . . . . 0.0 112.443 176.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -63.06 -43.24 99.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.48 0.712 . . . . 0.0 111.699 173.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -57.66 -47.14 83.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.685 1.194 . . . . 0.0 111.749 174.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.06 -25.51 62.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 p -71.03 -38.06 72.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.372 1.442 . . . . 0.0 112.509 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -65.13 -48.23 74.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.075 2.15 . . . . 0.0 113.012 173.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.66 150.36 48.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 112.656 -175.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.7 t -68.89 158.27 34.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.493 1.517 . . . . 0.0 112.963 177.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -50.03 -40.56 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.312 1.445 . . . . 0.0 112.273 170.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.409 HD21 HG22 ' A' ' 32' ' ' ILE . 11.6 m120 -68.08 -39.36 82.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.324 1.05 . . . . 0.0 112.671 177.428 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.51 -39.61 81.15 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.938 0.895 . . . . 0.0 112.458 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.97 -40.48 93.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.589 1.156 . . . . 0.0 112.605 173.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 68.6 mtm -60.92 -45.73 93.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.904 0.774 . . . . 0.0 111.957 170.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.65 65.39 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.86 -37.32 86.97 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.43 1.014 . . . . 0.0 111.925 179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.4 72.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.137 0.975 . . . . 0.0 112.037 176.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -43.44 98.84 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.568 0.747 . . . . 0.0 110.383 177.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -57.05 -56.98 14.79 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.445 1.098 . . . . 0.0 112.74 174.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.47 -27.02 67.47 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -176.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.3 -46.39 60.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.356 1.462 . . . . 0.0 111.831 171.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -68.17 -38.34 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.735 0.814 . . . . 0.0 112.222 -174.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.179 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -38.38 88.04 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.489 1.041 . . . . 0.0 111.378 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -69.24 -37.55 78.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.654 0.782 . . . . 0.0 112.437 175.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.95 -53.45 17.75 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.398 -0.814 . . . . 0.0 112.701 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -61.45 -27.41 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.992 1.717 . . . . 0.0 113.388 -174.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -74.84 -21.85 59.03 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 121.172 -0.955 . . . . 0.0 113.471 172.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.1 -42.77 4.57 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.764 1.173 . . . . 0.0 114.44 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -74.3 163.64 27.57 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 113.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.03 175.14 5.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.561 1.144 . . . . 0.0 113.557 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -58.65 -29.18 66.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -178.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.25 -34.0 76.52 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.318 1.047 . . . . 0.0 112.45 173.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -77.79 -32.13 52.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.696 1.199 . . . . 0.0 111.706 175.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.48 -47.14 77.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.43 0.692 . . . . 0.0 110.869 169.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.22 70.12 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.346 -0.846 . . . . 0.0 113.255 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.14 64.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 pp -119.91 -25.27 5.87 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.02 -34.64 66.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.138 0.975 . . . . 0.0 112.368 170.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.61 -123.9 33.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.893 1.235 . . . . 0.0 113.183 174.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.65 -21.79 65.96 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.77 1.228 . . . . 0.0 113.62 179.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -89.06 1.25 55.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 113.907 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.45 148.74 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.962 -1.086 . . . . 0.0 112.792 178.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.474 HG22 HD21 ' B' ' 170' ' ' ASN . 4.3 tp . . . . . 0 CA--C 1.547 0.833 0 O-C-N 121.243 -0.91 . . . . 0.0 112.765 -174.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -72.14 -49.26 37.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.325 1.45 . . . . 0.0 111.056 -175.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.41 -36.11 82.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 178.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.05 -55.69 11.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.995 0.816 . . . . 0.0 111.575 173.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -62.75 -45.47 92.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.041 0.936 . . . . 0.0 112.653 -174.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.97 -40.33 87.43 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.282 -0.886 . . . . 0.0 112.876 178.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 26.9 t -59.49 -46.8 87.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.913 0.885 . . . . 0.0 111.973 173.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -63.51 -49.6 72.89 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.906 1.683 . . . . 0.0 111.721 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.84 -31.62 72.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.099 0.959 . . . . 0.0 112.736 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 14.3 p -70.36 -30.33 67.24 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.506 1.503 . . . . 0.0 113.589 173.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -87.02 -31.99 20.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 113.753 -178.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.27 152.36 45.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.264 1.026 . . . . 0.0 112.764 175.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.0 t -69.38 156.57 38.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.355 1.462 . . . . 0.0 112.541 178.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -53.68 -36.74 62.49 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.849 1.26 . . . . 0.0 112.19 169.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.474 HD21 HG22 ' B' ' 132' ' ' ILE . 13.2 m120 -68.94 -43.52 74.91 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.501 0.72 . . . . 0.0 112.486 175.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.82 -41.18 95.96 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.129 0.972 . . . . 0.0 111.576 176.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.66 -45.05 95.59 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.524 1.13 . . . . 0.0 112.319 176.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 69.4 mtm -60.65 -41.05 94.17 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.548 0.613 . . . . 0.0 111.851 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.97 56.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.62 -35.42 80.75 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.034 0.834 . . . . 0.0 111.552 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.02 84.79 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.5 0.72 . . . . 0.0 112.072 173.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.21 -43.41 98.89 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.134 -0.979 . . . . 0.0 111.057 176.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -61.84 -46.07 91.05 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.964 0.906 . . . . 0.0 112.501 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.0 -23.62 63.17 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.32 0.964 . . . . 0.0 113.135 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -76.83 -32.81 57.82 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.376 1.47 . . . . 0.0 113.007 171.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -74.32 -36.16 63.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.717 1.207 . . . . 0.0 112.854 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 179.614 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.77 -54.2 30.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.072 0.949 . . . . 0.0 110.859 177.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.3 m -67.28 -24.57 65.79 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.58 -51.45 59.63 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.842 0.746 . . . . 0.0 110.867 168.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.66 -30.48 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.12 1.368 . . . . 0.0 112.98 178.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.0 -27.17 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.94 -1.1 . . . . 0.0 113.461 171.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.59 -40.77 5.9 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.466 1.032 . . . . 0.0 115.176 -174.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.96 166.29 23.52 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.302 1.441 . . . . 0.0 113.329 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.06 177.15 4.76 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.068 1.747 . . . . 0.0 113.574 -172.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -58.35 -30.61 66.87 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.09 -35.52 80.74 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.149 -0.969 . . . . 0.0 112.578 172.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -77.3 -30.99 54.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.169 0.988 . . . . 0.0 112.497 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.06 -46.79 70.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.724 0.81 . . . . 0.0 110.542 171.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.93 67.6 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.935 0.894 . . . . 0.0 113.068 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -17.52 64.91 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.0 -26.87 5.07 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.29 -34.15 70.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.248 1.019 . . . . 0.0 111.703 168.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.08 -135.74 45.93 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.226 1.394 . . . . 0.0 113.103 175.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.71 -17.6 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.645 1.178 . . . . 0.0 113.304 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -87.87 -0.58 57.16 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.284 1.434 . . . . 0.0 114.024 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.59 145.56 23.03 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.828 1.251 . . . . 0.0 112.869 176.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.43 HG22 HD21 ' A' ' 70' ' ' ASN . 2.3 tp . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 123.898 0.879 . . . . 0.0 112.755 -173.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 . . . . . 0 N--CA 1.472 0.638 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -85.07 -43.1 14.21 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.878 1.671 . . . . 0.0 112.526 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.15 -46.8 66.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.277 1.031 . . . . 0.0 112.603 -168.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.29 -37.56 74.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.632 -0.667 . . . . 0.0 112.013 176.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.39 -48.13 65.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.581 1.152 . . . . 0.0 111.958 -178.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.91 -35.11 79.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.849 0.86 . . . . 0.0 111.773 177.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.7 m -62.94 -40.23 97.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.505 -0.747 . . . . 0.0 112.243 172.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -71.59 -39.48 70.49 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.092 -1.005 . . . . 0.0 112.175 177.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.93 -21.06 64.23 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 119.49 1.041 . . . . 0.0 112.422 171.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.4 t -76.23 -38.31 56.56 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.63 -1.294 . . . . 0.0 112.73 167.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -63.86 -48.88 74.96 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.184 1.394 . . . . 0.0 113.753 174.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.45 156.32 39.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.912 1.285 . . . . 0.0 114.071 -167.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -72.75 158.64 35.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.391 1.476 . . . . 0.0 112.787 175.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -50.47 -43.39 55.4 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.27 1.428 . . . . 0.0 112.536 175.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.43 HD21 HG22 ' A' ' 32' ' ' ILE . 11.9 m120 -64.64 -36.53 84.56 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.318 1.047 . . . . 0.0 113.341 175.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.99 -41.82 73.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.796 0.838 . . . . 0.0 111.345 176.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.31 -39.38 92.85 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.908 0.776 . . . . 0.0 112.578 172.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.7 mtm -59.03 -46.47 88.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.213 0.915 . . . . 0.0 111.612 170.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.68 58.0 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -174.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.44 -37.29 85.32 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.676 1.126 . . . . 0.0 111.791 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.49 74.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.877 0.871 . . . . 0.0 112.146 177.474 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -45.41 83.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.918 0.887 . . . . 0.0 110.778 173.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -57.92 -50.94 71.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.78 1.232 . . . . 0.0 112.735 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.94 -27.69 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.825 0.739 . . . . 0.0 112.601 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -78.95 -33.51 45.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.23 1.012 . . . . 0.0 113.206 174.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.64 -38.45 67.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.583 0.753 . . . . 0.0 111.816 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.503 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.69 -42.48 95.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.74 0.816 . . . . 0.0 111.091 176.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -63.8 -41.04 97.98 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.323 0.649 . . . . 0.0 111.91 176.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -66.47 -51.86 52.29 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.457 -0.777 . . . . 0.0 112.442 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.67 -29.44 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.218 1.407 . . . . 0.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -71.72 -23.17 61.58 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.81 -1.181 . . . . 0.0 113.208 169.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -89.77 -44.98 4.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.989 1.28 . . . . 0.0 114.491 -177.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.36 169.54 17.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.477 1.111 . . . . 0.0 113.642 178.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.73 177.34 6.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.629 1.172 . . . . 0.0 113.597 -172.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.05 -30.76 66.43 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -170.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -66.25 -34.6 78.38 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.262 -0.899 . . . . 0.0 112.478 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.21 -36.28 58.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.887 1.275 . . . . 0.0 111.476 175.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.8 -48.05 80.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.906 . . . . 0.0 110.795 172.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.62 71.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 113.035 176.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.67 65.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.97 -27.61 11.57 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.24 -35.93 63.88 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.56 1.144 . . . . 0.0 112.192 171.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.9 -133.49 46.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.526 1.06 . . . . 0.0 112.921 173.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.28 -17.91 64.08 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.19 4.09 49.76 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.924 1.289 . . . . 0.0 113.653 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.2 147.19 25.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.113 -0.992 . . . . 0.0 112.769 176.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.436 HG22 HD21 ' B' ' 170' ' ' ASN . 5.9 tp . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 . . . . . 0 N--CA 1.469 0.502 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -28.06 43.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.34 -50.85 8.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.286 1.034 . . . . 0.0 112.672 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -71.33 -41.56 69.67 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.712 -0.618 . . . . 0.0 112.457 -174.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.75 -48.69 79.56 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.573 -0.705 . . . . 0.0 111.606 177.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.74 -32.63 74.4 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.659 -0.651 . . . . 0.0 111.976 176.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 41.5 t -63.7 -39.41 94.24 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.972 0.909 . . . . 0.0 112.964 173.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -65.56 -49.63 68.13 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.744 1.157 . . . . 0.0 110.178 170.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.557 1.143 . . . . 0.0 113.337 -174.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.0 p -75.67 -30.89 59.54 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.02 1.282 . . . . 0.0 113.625 171.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -87.24 -33.94 19.13 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.731 1.613 . . . . 0.0 114.452 -176.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.8 150.72 48.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.065 1.346 . . . . 0.0 112.694 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 41.2 t -68.93 155.04 40.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.939 1.296 . . . . 0.0 111.714 174.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.78 -33.72 68.82 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.933 -1.104 . . . . 0.0 112.373 175.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.436 HD21 HG22 ' B' ' 132' ' ' ILE . 31.3 m120 -63.08 -42.0 99.54 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.943 0.897 . . . . 0.0 112.52 170.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.78 -40.34 88.14 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.977 0.911 . . . . 0.0 112.235 174.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.11 -42.9 99.66 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.662 0.665 . . . . 0.0 112.254 174.276 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.2 -46.0 79.62 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.659 0.663 . . . . 0.0 111.843 170.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.82 -42.23 61.19 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -174.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -39.28 91.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.337 1.055 . . . . 0.0 112.367 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -46.23 86.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.774 0.829 . . . . 0.0 110.981 175.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -62.19 -46.4 89.11 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.681 0.792 . . . . 0.0 112.942 179.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -22.38 63.51 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 177.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.61 -38.48 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.097 0.959 . . . . 0.0 112.322 171.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.33 -31.47 72.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.166 0.987 . . . . 0.0 113.126 -177.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 0.0 113.061 174.366 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.06 -39.32 85.58 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.497 1.119 . . . . 0.0 111.847 177.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -64.81 -31.38 72.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.217 1.007 . . . . 0.0 112.731 176.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.78 -46.94 23.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.942 0.897 . . . . 0.0 111.605 176.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.06 -32.78 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.892 1.277 . . . . 0.0 112.992 178.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.34 -18.18 60.06 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.01 0.924 . . . . 0.0 113.35 171.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -39.94 5.9 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.388 1.47 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.14 174.84 8.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.646 1.178 . . . . 0.0 113.534 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.77 177.04 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.92 1.288 . . . . 0.0 113.398 -175.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.29 -30.02 66.3 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.384 1.474 . . . . 0.0 114.305 -172.326 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.89 -32.05 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.999 0.92 . . . . 0.0 112.387 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.97 -39.07 30.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.271 1.028 . . . . 0.0 111.4 173.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.62 -45.31 94.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.306 0.642 . . . . 0.0 111.292 176.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.16 73.68 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 176.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.87 77.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.484 0.584 . . . . 0.0 112.535 175.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.4 -30.23 19.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.41 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.36 -38.27 30.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.219 1.007 . . . . 0.0 112.03 171.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.85 -124.15 30.07 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.421 0.534 . . . . 0.0 112.358 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.2 -25.32 66.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.77 1.228 . . . . 0.0 113.242 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -83.82 -0.76 52.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 177.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.25 137.96 58.38 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.146 -0.971 . . . . 0.0 112.292 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.413 HG22 HD21 ' A' ' 70' ' ' ASN . 6.0 tp . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.12 0.968 . . . . 0.0 112.276 -176.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.09 -38.4 82.28 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.66 1.184 . . . . 0.0 113.057 178.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -68.43 -47.37 67.4 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.637 1.175 . . . . 0.0 111.261 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -60.87 -51.62 68.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.418 1.087 . . . . 0.0 111.516 176.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.36 -53.22 38.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.304 1.042 . . . . 0.0 112.627 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.59 -35.54 81.11 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.506 -0.746 . . . . 0.0 112.264 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -63.72 -47.7 80.04 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.608 -0.683 . . . . 0.0 112.108 177.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -69.34 -37.88 77.9 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.596 1.089 . . . . 0.0 113.509 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.47 -27.96 68.95 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.865 0.757 . . . . 0.0 112.796 176.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -70.42 -29.7 66.38 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.587 1.085 . . . . 0.0 113.508 172.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -81.14 -33.72 32.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.588 1.555 . . . . 0.0 112.818 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.32 149.74 49.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.205 1.402 . . . . 0.0 112.445 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 t -65.27 156.45 31.92 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.852 1.261 . . . . 0.0 112.312 174.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -57.16 -32.38 66.35 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.043 -1.036 . . . . 0.0 112.268 167.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 32' ' ' ILE . 36.4 m120 -64.09 -44.81 91.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.354 0.662 . . . . 0.0 111.979 171.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.69 -36.8 76.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.969 0.908 . . . . 0.0 111.928 178.038 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.27 -43.64 98.55 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.501 1.12 . . . . 0.0 112.111 173.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mtm -59.83 -47.21 86.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.241 0.473 . . . . 0.0 111.776 169.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.44 77.76 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.22 -38.91 89.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.058 0.845 . . . . 0.0 111.74 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.24 87.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.587 0.755 . . . . 0.0 111.963 177.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.37 -45.71 89.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.605 0.762 . . . . 0.0 111.206 177.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -61.92 -46.39 89.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.559 0.744 . . . . 0.0 112.582 177.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.53 -25.69 63.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.133 0.879 . . . . 0.0 113.324 177.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.02 -34.16 64.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.601 1.16 . . . . 0.0 112.649 172.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.33 -37.21 74.64 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.396 1.078 . . . . 0.0 112.528 -179.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.732 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.99 -48.49 76.19 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.568 0.747 . . . . 0.0 110.914 176.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -63.73 -31.27 72.4 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 112.864 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -69.33 -53.9 17.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.66 0.784 . . . . 0.0 111.661 173.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.4 mm -60.43 -31.29 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.483 1.513 . . . . 0.0 113.074 177.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -70.42 -21.93 62.78 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.687 1.195 . . . . 0.0 113.579 171.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.87 -42.53 4.09 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.234 1.397 . . . . 0.0 115.085 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.52 173.79 10.53 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.941 1.296 . . . . 0.0 113.828 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.63 178.56 5.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.922 1.289 . . . . 0.0 113.574 -173.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -60.01 -32.08 70.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.868 1.267 . . . . 0.0 114.39 -168.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -66.01 -33.71 76.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.522 0.729 . . . . 0.0 112.368 174.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -76.74 -38.12 54.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.127 174.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.25 -47.79 84.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.968 0.907 . . . . 0.0 110.963 174.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.79 81.68 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.43 84.66 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -32.93 30.97 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.678 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.0 -49.16 48.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.524 1.056 . . . . 0.0 111.169 168.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.86 97.4 0.07 OUTLIER Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.086 1.327 . . . . 0.0 113.02 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 62.3 -27.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 128.379 2.672 . . . . 0.0 116.325 -177.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.77 1.86 32.64 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 113.904 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.72 151.68 10.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.913 1.685 . . . . 0.0 112.278 170.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 132' ' ' ILE . . . . . 0.577 HG22 HD21 ' B' ' 170' ' ' ASN . 3.5 tp . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 124.229 1.012 . . . . 0.0 113.03 -171.285 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -61.7 -53.27 58.35 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.886 1.274 . . . . 0.0 111.314 177.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.14 -36.72 80.14 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.709 1.604 . . . . 0.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.07 -55.49 10.61 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.093 -1.004 . . . . 0.0 112.346 174.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.21 -50.75 66.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.139 -175.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.97 -38.85 92.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.174 0.897 . . . . 0.0 112.332 -178.656 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 34.9 t -67.36 -43.84 80.45 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.74 -44.03 97.7 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.958 -1.089 . . . . 0.0 111.204 174.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.79 -34.24 75.55 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.658 0.783 . . . . 0.0 112.736 174.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 t -67.45 -37.77 83.46 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.14 0.882 . . . . 0.0 113.027 171.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -73.62 -26.35 60.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 176.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.63 149.47 38.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.992 1.317 . . . . 0.0 112.507 176.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.4 t -70.81 161.2 31.36 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.981 1.312 . . . . 0.0 112.916 175.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -50.15 -40.91 48.0 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.427 1.491 . . . . 0.0 112.272 169.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 170' ' ' ASN . . . . . 0.577 HD21 HG22 ' B' ' 132' ' ' ILE . 9.3 m120 -65.6 -42.64 91.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.426 1.09 . . . . 0.0 112.111 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -69.22 -37.51 78.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.94 1.296 . . . . 0.0 112.444 175.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.47 -44.09 97.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 174.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.91 -42.17 99.7 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.975 -0.453 . . . . 0.0 111.954 171.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.97 70.21 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.161 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.06 -38.0 89.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.657 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.33 84.8 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.278 1.031 . . . . 0.0 112.188 178.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.45 -46.3 83.73 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.661 0.784 . . . . 0.0 110.984 175.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.86 -48.46 81.62 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.78 -26.24 66.86 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.86 0.754 . . . . 0.0 112.706 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -76.23 -37.27 57.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.48 -36.35 80.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.625 0.77 . . . . 0.0 112.023 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? . . . . . 0 CA--C 1.544 0.731 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.409 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.479 1.52 0 CA-C-O 118.819 -0.99 . . . . 0.0 111.704 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 51.4 Cg_exo -62.52 -24.17 75.2 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.751 2.967 . . . . 0.0 115.372 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.62 177.31 46.79 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.189 1.376 . . . . 0.0 112.68 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.5 p -152.81 160.85 43.11 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.792 1.237 . . . . 0.0 112.319 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -77.56 -16.02 58.89 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.723 1.209 . . . . 0.0 114.205 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.1 158.39 0.12 Allowed Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 128.185 2.594 . . . . 0.0 114.777 -168.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.56 151.17 86.27 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.298 2.665 . . . . 0.0 113.532 179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -77.92 -21.56 50.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.963 0.905 . . . . 0.0 113.046 175.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -104.71 18.06 22.97 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.938 1.695 . . . . 0.0 114.439 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 35.0 p -60.57 157.57 14.08 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 121.313 -0.867 . . . . 0.0 111.709 170.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -60.8 -34.91 75.24 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.586 -0.696 . . . . 0.0 111.439 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.98 -53.13 51.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.968 1.307 . . . . 0.0 111.255 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.2 m -68.4 -27.42 66.2 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.69 -53.49 21.95 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 118.805 0.73 . . . . 0.0 112.237 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -60.4 -30.94 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.613 1.565 . . . . 0.0 113.07 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -70.67 -18.54 62.83 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.407 1.083 . . . . 0.0 113.7 172.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.63 -43.27 2.95 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 124.806 1.193 . . . . 0.0 114.85 -178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.51 160.16 32.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.85 172.16 7.22 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.443 1.097 . . . . 0.0 113.789 -171.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -59.71 -29.93 68.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -66.18 -33.04 74.87 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -75.39 -32.97 60.97 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.147 0.979 . . . . 0.0 111.453 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.24 -46.55 73.4 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.815 0.846 . . . . 0.0 110.889 170.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.28 72.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.681 0.793 . . . . 0.0 112.77 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.82 -17.87 64.94 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.6 -25.75 7.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -76.6 -37.15 56.93 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.152 0.887 . . . . 0.0 112.426 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.43 -124.06 33.79 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.618 1.104 . . . . 0.0 113.768 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -60.21 -31.48 70.2 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.438 1.095 . . . . 0.0 112.923 177.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -80.34 1.71 27.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.909 1.284 . . . . 0.0 114.344 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -61.17 146.01 49.09 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.003 -1.06 . . . . 0.0 111.196 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.57 HG22 HD21 ' A' ' 70' ' ' ASN . 4.1 tp -69.69 150.52 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 123.651 0.78 . . . . 0.0 112.883 -171.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -118.03 22.33 12.29 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.751 1.62 . . . . 0.0 112.428 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -113.04 169.5 8.88 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.847 1.659 . . . . 0.0 113.726 -165.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.17 -120.0 12.76 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.118 0.866 . . . . 0.0 111.802 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.74 9.01 6.7 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.294 0.95 . . . . 0.0 115.111 168.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 98.06 -1.87 59.52 Favored Glycine 0 CA--C 1.54 1.647 0 C-N-CA 126.548 2.023 . . . . 0.0 114.322 -175.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.5 m -141.83 9.95 1.98 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.425 1.49 . . . . 0.0 114.367 -174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.18 -165.69 54.75 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.183 0.897 . . . . 0.0 114.737 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 169.88 168.4 31.73 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.941 1.257 . . . . 0.0 113.746 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.57 150.92 51.22 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.654 1.121 . . . . 0.0 114.454 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.3 p -159.43 162.78 35.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.537 1.935 . . . . 0.0 110.334 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.62 -37.78 1.1 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 114.765 0.666 . . . . 0.0 114.765 170.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.33 -174.84 37.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.926 0.774 . . . . 0.0 114.57 -174.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.91 -165.83 12.31 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.773 1.177 . . . . 0.0 115.237 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.7 p -146.75 165.77 28.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.487 1.915 . . . . 0.0 111.24 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -152.18 158.37 42.8 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.697 1.199 . . . . 0.0 112.613 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.9 t30 62.34 156.85 0.05 Allowed 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 127.372 2.269 . . . . 0.0 114.966 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.42 151.37 87.73 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 124.523 1.129 . . . . 0.0 111.972 170.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -69.99 166.72 26.93 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.937 3.091 . . . . 0.0 112.015 170.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.8 p -68.39 155.64 39.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.369 1.067 . . . . 0.0 111.906 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 m -66.34 -32.5 73.94 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 m -81.43 144.04 31.68 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.312 1.445 . . . . 0.0 112.649 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 56.31 -168.6 0.1 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.741 2.017 . . . . 0.0 114.972 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 175.15 -32.14 0.09 OUTLIER Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.971 1.272 . . . . 0.0 113.778 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -61.05 -28.71 69.26 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.261 1.424 . . . . 0.0 113.904 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -77.7 -45.2 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.35 1.46 . . . . 0.0 112.281 172.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -69.78 -45.21 68.52 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.882 0.873 . . . . 0.0 112.202 -173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.35 -40.0 89.53 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.016 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -65.52 -50.76 64.03 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.921 1.289 . . . . 0.0 111.328 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.5 tp -62.95 -37.03 85.42 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.63 -0.669 . . . . 0.0 112.003 176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 t -62.37 -45.37 93.47 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.024 0.929 . . . . 0.0 112.586 176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -61.85 -55.59 28.26 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 118.769 0.713 . . . . 0.0 110.971 173.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.45 -38.08 68.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.3 t -59.88 -27.16 66.46 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -99.56 -5.39 29.24 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.41 153.76 33.32 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.268 1.027 . . . . 0.0 112.405 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -66.87 155.48 38.25 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.282 1.033 . . . . 0.0 110.902 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -58.16 -36.27 72.77 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 120.726 -1.234 . . . . 0.0 112.095 172.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.57 HD21 HG22 ' A' ' 32' ' ' ILE . 10.5 m120 -61.18 -41.41 96.74 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.545 0.612 . . . . 0.0 112.13 174.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -68.09 -42.66 80.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.578 1.151 . . . . 0.0 112.226 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.42 -42.96 93.03 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.192 0.997 . . . . 0.0 112.817 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 43.2 mtm -64.84 -42.79 94.64 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -42.38 72.76 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.38 -37.6 88.07 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.723 1.147 . . . . 0.0 111.375 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -40.69 90.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.153 0.981 . . . . 0.0 112.109 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -62.82 -44.91 94.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.446 1.098 . . . . 0.0 111.125 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.0 mttm -60.55 -47.19 87.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.934 0.894 . . . . 0.0 112.935 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -72.22 -22.51 61.25 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -73.65 -39.61 64.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.777 1.231 . . . . 0.0 112.012 171.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -65.48 -36.39 83.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.868 0.867 . . . . 0.0 112.689 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -83.55 -30.3 27.16 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.62 -31.55 63.6 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.962 1.255 . . . . 0.0 113.277 -177.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -10.15 59.35 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -110.37 6.69 22.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.277 1.431 . . . . 0.0 114.392 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -67.74 149.81 49.47 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 120.991 -1.068 . . . . 0.0 112.557 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 C-N-CA 125.362 1.458 . . . . 0.0 112.65 -179.211 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.834 -0.507 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.89 -28.21 20.09 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.876 3.05 . . . . 0.0 114.029 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.69 177.39 29.79 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.74 1.162 . . . . 0.0 114.626 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.0 t -70.27 159.21 34.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.739 1.216 . . . . 0.0 112.431 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -63.33 -22.66 67.01 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.208 1.003 . . . . 0.0 112.987 166.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.89 164.21 0.11 Allowed Pre-proline 0 CA--C 1.561 1.386 0 C-N-CA 128.042 2.537 . . . . 0.0 115.893 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.45 158.79 34.45 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.777 2.985 . . . . 0.0 114.069 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 pp -125.05 -21.99 4.54 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.293 1.437 . . . . 0.0 113.781 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -74.45 -16.65 60.86 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.669 1.187 . . . . 0.0 113.128 176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 36.9 p -65.51 -19.56 65.98 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.772 1.229 . . . . 0.0 113.456 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -68.8 -35.18 76.71 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.76 -45.07 94.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.588 0.755 . . . . 0.0 110.588 170.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.3 m -62.81 -30.66 71.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.093 0.957 . . . . 0.0 112.927 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -69.5 -49.33 55.64 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.943 0.897 . . . . 0.0 111.916 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.9 mm -62.06 -33.93 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.431 1.093 . . . . 0.0 112.407 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.58 -22.67 66.13 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.301 1.041 . . . . 0.0 113.713 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.06 -38.11 5.81 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.736 1.16 . . . . 0.0 114.957 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.8 pp -76.37 174.74 9.85 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.298 1.439 . . . . 0.0 113.564 -176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.79 176.39 7.87 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -61.1 -25.04 66.69 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -64.58 -33.77 76.7 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.553 1.141 . . . . 0.0 112.22 171.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.85 -38.87 31.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.906 1.283 . . . . 0.0 111.821 173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 70.6 mt -64.83 -47.94 76.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.407 0.683 . . . . 0.0 111.932 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.73 -31.02 71.16 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.815 0.734 . . . . 0.0 112.723 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.27 62.71 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.09 -29.57 7.55 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.1 mp -77.53 -36.03 52.8 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.374 1.07 . . . . 0.0 112.281 171.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.75 -121.48 26.0 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.492 1.044 . . . . 0.0 113.095 172.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -58.25 -38.78 77.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.372 1.069 . . . . 0.0 112.581 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.84 3.82 21.29 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.67 148.7 37.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.484 -0.76 . . . . 0.0 111.269 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 7.4 tp -65.3 148.92 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 C-N-CA 124.256 1.022 . . . . 0.0 112.319 -172.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -119.85 24.11 10.72 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.108 1.363 . . . . 0.0 114.368 -173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 59.38 -176.1 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 114.297 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 131.68 -11.56 5.44 Favored Glycine 0 CA--C 1.539 1.542 0 C-N-CA 125.859 1.695 . . . . 0.0 114.977 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.58 -13.83 83.08 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 118.366 1.083 . . . . 0.0 115.372 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.33 -156.95 53.56 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-N 118.628 1.214 . . . . 0.0 114.057 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 49.0 m -141.18 159.83 41.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.689 1.595 . . . . 0.0 112.058 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -167.69 -166.49 26.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.687 1.137 . . . . 0.0 113.727 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -166.71 -176.72 38.01 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.639 1.114 . . . . 0.0 113.711 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 84.74 157.36 27.04 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.928 1.252 . . . . 0.0 113.304 -173.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 89.9 p -76.97 -24.79 52.29 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 71.33 7.81 64.56 Favored Glycine 0 CA--C 1.547 2.032 0 C-N-CA 124.401 1.0 . . . . 0.0 114.435 -170.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 74.4 -175.05 49.47 Favored Glycine 0 CA--C 1.539 1.535 0 CA-C-N 118.797 1.298 . . . . 0.0 114.803 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 79.48 163.85 27.25 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.033 1.302 . . . . 0.0 114.822 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 56.7 m -147.23 153.87 40.33 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.696 1.599 . . . . 0.0 112.169 -175.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 48.7 tpp -69.26 130.28 42.18 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.571 0.748 . . . . 0.0 111.521 169.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -113.47 36.36 3.62 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.826 1.65 . . . . 0.0 111.91 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm 65.46 142.01 0.07 OUTLIER Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 129.098 2.959 . . . . 0.0 113.596 -162.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.71 164.06 36.83 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.71 2.94 . . . . 0.0 113.114 -177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 15.3 t -147.3 153.04 39.25 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.595 1.558 . . . . 0.0 111.585 175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 46.8 m -147.91 157.63 43.63 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.855 1.262 . . . . 0.0 112.649 -164.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 88.7 p -153.85 138.06 16.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.545 1.138 . . . . 0.0 111.825 168.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 60.14 -17.46 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 127.739 2.416 . . . . 0.0 117.156 -177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.4 -43.37 3.03 Favored Glycine 0 N--CA 1.471 0.969 0 C-N-CA 126.975 2.226 . . . . 0.0 115.129 172.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -61.29 -39.59 91.01 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.973 0.887 . . . . 0.0 112.483 -176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -70.75 -37.35 73.43 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.319 1.047 . . . . 0.0 112.063 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -74.66 -40.24 61.57 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.199 0.999 . . . . 0.0 112.153 -177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -62.94 -49.3 75.3 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.012 0.925 . . . . 0.0 111.067 173.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -69.61 -52.05 29.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.889 0.876 . . . . 0.0 112.934 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 33.9 tp -67.0 -28.2 68.05 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 42.1 t -60.82 -45.69 93.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.749 0.82 . . . . 0.0 112.139 172.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 80.3 mtt-85 -63.77 -46.85 83.39 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.092 0.957 . . . . 0.0 110.81 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.88 -38.11 75.18 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.252 1.021 . . . . 0.0 112.465 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 32.2 t -71.1 -40.24 71.63 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.495 1.118 . . . . 0.0 112.947 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -64.33 -38.41 90.96 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.912 1.285 . . . . 0.0 113.142 174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -73.43 151.22 41.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.401 1.48 . . . . 0.0 114.327 -173.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.6 t -68.29 160.54 29.15 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.853 1.661 . . . . 0.0 112.201 170.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.7 tttt -56.89 -36.43 70.11 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.406 1.082 . . . . 0.0 112.511 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -61.99 -42.98 99.74 Favored 'General case' 0 CA--C 1.548 0.881 0 O-C-N 121.797 -0.564 . . . . 0.0 112.139 173.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -70.54 -36.24 73.58 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.008 0.923 . . . . 0.0 112.649 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 43.5 mt -61.14 -41.38 96.62 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.433 1.093 . . . . 0.0 111.978 173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.95 -42.55 97.28 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.12 81.06 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.73 -35.84 79.49 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.446 -0.784 . . . . 0.0 112.059 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.61 -42.41 91.64 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.674 0.789 . . . . 0.0 112.064 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.46 -44.83 89.85 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.695 0.798 . . . . 0.0 110.629 175.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 43.4 mttm -56.72 -52.66 64.11 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.298 1.039 . . . . 0.0 112.943 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.3 -27.13 67.68 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.936 0.789 . . . . 0.0 112.984 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -76.01 -38.21 57.55 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.582 1.153 . . . . 0.0 112.474 173.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -70.69 -38.85 73.75 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.852 0.861 . . . . 0.0 112.503 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -77.39 -33.27 55.18 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -70.38 -32.1 69.62 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.891 1.223 . . . . 0.0 113.517 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.58 -10.37 59.71 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -106.41 -0.09 24.45 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 173.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -76.86 154.11 34.13 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.012 -1.055 . . . . 0.0 112.142 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.185 0 C-N-CA 125.817 1.675 . . . . 0.0 114.007 178.099 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.37 0 CA-C-O 118.579 -1.123 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -59.1 144.74 99.25 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.732 2.954 . . . . 0.0 114.111 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.22 166.74 24.68 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.389 0.995 . . . . 0.0 113.382 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.1 t -72.72 150.93 42.46 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.167 0.987 . . . . 0.0 112.881 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -78.77 -10.65 59.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.216 1.406 . . . . 0.0 113.542 171.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.38 159.02 0.12 Allowed Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 128.21 2.604 . . . . 0.0 115.091 -172.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -62.7 155.33 59.77 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 123.543 2.829 . . . . 0.0 114.599 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -128.17 -7.43 5.38 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.575 1.55 . . . . 0.0 113.333 171.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -133.73 14.33 4.02 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.804 2.042 . . . . 0.0 113.125 -173.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -62.03 150.14 38.98 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.111 1.364 . . . . 0.0 112.274 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -55.35 -37.61 67.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.199 1.4 . . . . 0.0 112.808 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.25 -26.1 67.2 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.656 0.782 . . . . 0.0 112.647 -179.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.0 t -85.44 -44.33 12.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.438 1.095 . . . . 0.0 111.671 171.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -64.55 -47.63 78.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.477 1.111 . . . . 0.0 113.013 -176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mm -67.96 -24.17 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.464 1.506 . . . . 0.0 112.307 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.0 -23.66 33.21 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.149 0.98 . . . . 0.0 113.526 170.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.2 -37.05 25.82 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.565 1.079 . . . . 0.0 114.169 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 pp -74.72 177.26 6.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.113 1.365 . . . . 0.0 113.35 173.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.93 176.31 7.41 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.698 1.199 . . . . 0.0 113.82 -179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.68 -28.66 67.48 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.142 1.377 . . . . 0.0 114.266 -173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.02 -37.22 86.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.425 -0.797 . . . . 0.0 112.176 173.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -73.62 -38.06 65.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.093 0.957 . . . . 0.0 111.664 174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.7 mt -61.03 -48.16 83.05 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.286 0.634 . . . . 0.0 111.083 173.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.94 77.27 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.921 0.782 . . . . 0.0 112.903 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.92 89.13 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.49 -30.44 18.26 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.4 -37.67 56.77 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.137 0.975 . . . . 0.0 112.657 171.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 -124.11 34.22 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 123.904 0.764 . . . . 0.0 112.504 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -57.87 -33.72 68.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.073 0.949 . . . . 0.0 112.646 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -78.09 2.13 18.9 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -59.25 139.75 56.66 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.06 -1.025 . . . . 0.0 111.19 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG22 HD21 ' A' ' 70' ' ' ASN . 7.6 tp -64.62 149.53 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.215 1.006 . . . . 0.0 113.038 -170.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -115.92 16.49 16.18 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.323 1.449 . . . . 0.0 113.539 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -77.35 154.42 32.82 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.592 1.557 . . . . 0.0 113.353 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.32 -25.31 73.29 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 123.889 0.757 . . . . 0.0 114.83 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 68.03 -172.27 33.8 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 125.164 1.364 . . . . 0.0 114.783 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.23 153.26 10.02 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.259 0.933 . . . . 0.0 114.12 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.2 m -115.62 5.5 14.34 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.74 1.616 . . . . 0.0 113.314 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.28 166.94 53.53 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.865 1.221 . . . . 0.0 114.244 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.46 172.35 34.76 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.635 1.112 . . . . 0.0 114.322 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 169.3 -176.32 43.36 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.373 0.987 . . . . 0.0 113.526 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m 61.93 169.3 0.12 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.585 1.954 . . . . 0.0 115.075 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 169.23 -155.78 26.38 Favored Glycine 0 CA--C 1.535 1.331 0 C-N-CA 125.087 1.327 . . . . 0.0 112.749 -176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.43 152.94 22.7 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.419 1.009 . . . . 0.0 113.133 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.56 -176.52 41.7 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.803 1.192 . . . . 0.0 113.387 -178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 t -68.39 -33.07 73.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.231 1.012 . . . . 0.0 113.169 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 81.3 mtp 58.8 13.32 2.65 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.643 1.977 . . . . 0.0 115.341 -177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -150.91 102.77 3.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.391 1.476 . . . . 0.0 110.712 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -68.39 148.85 98.2 Favored Pre-proline 0 N--CA 1.482 1.128 0 C-N-CA 123.96 0.904 . . . . 0.0 111.892 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -65.75 140.22 60.8 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.367 2.711 . . . . 0.0 113.288 -170.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.6 t -82.55 -14.71 54.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.457 1.503 . . . . 0.0 113.385 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -138.61 164.3 29.83 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.646 1.578 . . . . 0.0 111.702 -176.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.2 t 60.89 -176.53 0.11 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.941 1.697 . . . . 0.0 113.003 -167.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -66.14 134.1 52.08 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.726 -1.234 . . . . 0.0 112.688 -176.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -158.42 5.09 0.14 Allowed Glycine 0 CA--C 1.533 1.174 0 N-CA-C 115.727 1.051 . . . . 0.0 115.727 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -62.29 -24.85 67.53 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.12 1.768 . . . . 0.0 113.987 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -84.75 -39.1 18.86 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.994 1.717 . . . . 0.0 112.309 172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -73.23 -48.35 35.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.144 1.778 . . . . 0.0 113.019 -171.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.6 p30 -72.91 -29.27 63.01 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.374 -0.828 . . . . 0.0 112.817 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.9 -52.62 18.94 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.87 1.668 . . . . 0.0 111.189 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 tp -62.53 -35.67 80.15 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.532 -0.73 . . . . 0.0 112.368 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 41.1 t -61.34 -33.9 74.39 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.41 1.084 . . . . 0.0 113.227 172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.08 -47.84 26.81 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.85 -1.156 . . . . 0.0 112.072 171.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 mp -61.04 -29.75 69.91 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.2 p -69.84 -27.68 65.06 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.864 1.211 . . . . 0.0 113.313 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -87.44 -36.82 17.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.53 1.532 . . . . 0.0 113.518 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -64.0 151.12 43.72 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.899 1.28 . . . . 0.0 111.988 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 24.7 p -73.27 165.69 24.58 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.95 0.9 . . . . 0.0 113.368 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -54.43 -37.41 65.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.287 1.435 . . . . 0.0 112.795 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.436 HD21 HG22 ' A' ' 32' ' ' ILE . 22.0 m120 -70.98 -44.8 65.22 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.636 0.774 . . . . 0.0 112.449 175.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -65.05 -38.75 91.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.157 0.983 . . . . 0.0 111.856 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.5 mt -59.39 -44.73 92.73 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.313 1.045 . . . . 0.0 112.267 173.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.4 mtm -62.24 -43.35 99.02 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.672 0.669 . . . . 0.0 112.037 172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.68 -47.94 70.86 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.68 -40.25 95.08 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.114 0.87 . . . . 0.0 111.099 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.92 87.66 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.464 1.106 . . . . 0.0 112.401 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -60.94 -46.71 89.6 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 118.789 0.722 . . . . 0.0 110.952 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.42 -49.83 76.01 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.469 0.708 . . . . 0.0 112.623 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.59 -24.54 61.92 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -74.76 -38.32 62.25 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.734 1.213 . . . . 0.0 112.477 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -66.82 -36.47 82.45 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.453 1.101 . . . . 0.0 112.867 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -82.65 -30.55 29.28 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.89 -32.62 63.67 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 120.227 1.376 . . . . 0.0 112.941 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.17 -9.41 58.59 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -108.55 3.13 22.69 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.354 1.462 . . . . 0.0 114.072 177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -73.36 157.5 36.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.095 -1.003 . . . . 0.0 112.18 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.43 0 C-N-CA 125.313 1.435 . . . . 0.0 113.781 178.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 CA-C-O 118.748 -1.029 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -67.13 161.97 40.42 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.64 2.893 . . . . 0.0 112.716 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.64 -161.31 27.12 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 124.646 1.117 . . . . 0.0 113.212 -178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 41.9 t -147.25 149.23 32.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.838 1.255 . . . . 0.0 112.393 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -75.0 -11.1 60.03 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.05 1.34 . . . . 0.0 113.798 174.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 65.49 149.63 0.11 Allowed Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 128.49 2.716 . . . . 0.0 114.646 -173.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.46 146.8 86.09 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.546 2.83 . . . . 0.0 114.321 -176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.47 -30.95 11.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.131 1.372 . . . . 0.0 111.206 159.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -82.13 52.7 2.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 128.335 2.654 . . . . 0.0 110.642 169.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 34.4 p -61.68 166.03 4.61 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.383 1.473 . . . . 0.0 113.318 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -58.36 -41.74 85.42 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.528 1.131 . . . . 0.0 111.281 174.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.03 -42.99 93.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.136 0.975 . . . . 0.0 111.6 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.6 t -62.03 -41.68 98.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.147 0.979 . . . . 0.0 112.018 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -67.87 -48.07 67.12 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.748 0.819 . . . . 0.0 112.362 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.404 HD13 HD21 ' B' ' 118' ' ' LEU . 22.0 mm -64.56 -29.61 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 124.699 1.2 . . . . 0.0 113.041 178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.78 -22.26 46.62 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 171.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.87 -36.3 11.68 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.714 1.149 . . . . 0.0 114.218 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.404 HD21 HD13 ' B' ' 115' ' ' ILE . 3.1 pp -75.4 176.19 7.72 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.255 1.422 . . . . 0.0 113.51 177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.09 174.37 8.09 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.956 1.302 . . . . 0.0 113.488 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.44 -29.08 67.52 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -64.98 -34.82 79.34 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.252 1.021 . . . . 0.0 112.885 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.98 -36.8 62.0 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.052 0.941 . . . . 0.0 111.904 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.42 -47.88 84.16 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.019 0.528 . . . . 0.0 110.678 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.87 75.34 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.7 66.68 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.42 -28.23 10.97 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.4 mp -78.7 -38.96 37.88 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.851 1.26 . . . . 0.0 112.483 171.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.13 -120.41 22.52 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.059 1.314 . . . . 0.0 113.14 173.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -60.52 -29.95 69.44 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.256 1.022 . . . . 0.0 113.288 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -88.93 5.25 44.94 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -59.8 149.95 29.65 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.044 -1.035 . . . . 0.0 111.838 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.455 HG22 HD21 ' B' ' 170' ' ' ASN . 5.0 tp -63.07 143.72 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.273 0.629 . . . . 0.0 112.376 -172.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -112.84 32.35 5.74 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.153 1.381 . . . . 0.0 112.498 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -132.35 152.16 51.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.317 1.847 . . . . 0.0 111.617 -176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -76.69 175.74 53.17 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 124.419 1.009 . . . . 0.0 113.718 173.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.09 -23.97 76.0 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 124.28 0.943 . . . . 0.0 114.766 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.64 57.83 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 116.518 1.367 . . . . 0.0 116.518 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 33.4 t -156.81 154.36 29.76 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.017 1.409 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -77.05 -5.18 84.68 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 124.617 1.103 . . . . 0.0 115.162 173.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -170.67 -165.26 27.73 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 118.644 1.222 . . . . 0.0 113.757 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 176.99 177.93 46.32 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 124.19 0.9 . . . . 0.0 114.258 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 44.2 t -154.04 145.8 23.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.369 1.468 . . . . 0.0 112.294 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.57 1.67 88.19 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.096 1.331 . . . . 0.0 114.697 172.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -71.39 -160.03 3.85 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 125.229 1.395 . . . . 0.0 115.771 -176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.51 -168.4 54.4 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.386 0.993 . . . . 0.0 114.781 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 9.1 m 59.49 22.3 10.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.193 1.797 . . . . 0.0 115.366 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 25.9 ptp -72.05 157.99 36.78 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.623 1.569 . . . . 0.0 114.346 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 58.91 19.0 6.65 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.811 2.045 . . . . 0.0 116.386 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -70.44 155.21 93.77 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 125.135 1.374 . . . . 0.0 113.373 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -63.15 150.76 87.69 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.707 2.938 . . . . 0.0 111.883 157.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 41.8 p -85.52 154.21 21.92 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.163 0.985 . . . . 0.0 112.278 172.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 6.8 t -76.01 -173.46 2.34 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.675 1.19 . . . . 0.0 111.658 168.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 31.8 t -58.11 -32.98 68.64 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.213 1.405 . . . . 0.0 113.947 -176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -148.65 151.93 35.83 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.595 1.158 . . . . 0.0 111.283 170.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -67.92 -22.73 74.1 Favored Glycine 0 CA--C 1.539 1.539 0 N-CA-C 115.861 1.105 . . . . 0.0 115.861 -166.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -62.09 -30.48 71.03 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.097 1.449 . . . . 0.0 112.212 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -63.43 -52.59 60.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.811 1.244 . . . . 0.0 110.887 177.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.73 -43.8 98.15 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.528 1.131 . . . . 0.0 112.524 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -65.48 -48.56 72.19 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.536 0.734 . . . . 0.0 112.473 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -66.69 -45.22 79.53 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.409 0.684 . . . . 0.0 111.892 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.47 -39.21 88.67 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.699 -0.626 . . . . 0.0 112.2 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 44.3 t -63.87 -44.58 92.64 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.548 0.739 . . . . 0.0 112.385 172.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -60.17 -45.93 91.42 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.449 -0.782 . . . . 0.0 111.958 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.94 -19.13 63.39 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 44.6 t -71.16 -41.86 69.85 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.313 -1.492 . . . . 0.0 112.054 166.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -78.16 -36.15 48.0 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.31 153.68 40.43 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.1 0.96 . . . . 0.0 112.933 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 29.7 t -67.34 154.74 40.61 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.814 1.246 . . . . 0.0 112.201 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -56.09 -35.13 66.68 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.786 -1.196 . . . . 0.0 112.13 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.455 HD21 HG22 ' B' ' 132' ' ' ILE . 9.3 m120 -65.81 -38.52 89.2 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.31 -0.869 . . . . 0.0 112.844 173.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.49 -40.11 77.23 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.627 0.771 . . . . 0.0 112.059 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.1 mp -59.16 -43.75 92.09 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.245 1.418 . . . . 0.0 112.082 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 66.3 mtm -60.02 -46.26 90.07 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.312 0.645 . . . . 0.0 111.56 171.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.93 -43.61 67.83 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.3 pp -65.33 -38.82 91.32 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.527 1.058 . . . . 0.0 111.461 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.13 89.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.665 1.186 . . . . 0.0 112.363 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.72 -47.7 68.59 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.871 0.868 . . . . 0.0 110.863 174.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -62.25 -46.12 90.27 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 0.0 112.705 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.83 -28.17 68.14 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.07 0.85 . . . . 0.0 112.953 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -75.94 -36.14 59.45 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.168 1.387 . . . . 0.0 112.581 172.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -71.73 -39.59 69.99 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.351 1.06 . . . . 0.0 112.252 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -77.61 -27.2 51.13 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -75.75 -29.42 58.84 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.593 1.088 . . . . 0.0 113.279 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -82.01 -13.38 57.47 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -95.73 3.0 54.24 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.758 1.223 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -66.34 154.97 38.64 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.212 1.005 . . . . 0.0 112.237 173.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.915 178.107 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -68.58 160.24 50.2 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 124.082 3.188 . . . . 0.0 112.952 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.06 -165.71 24.05 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.317 0.961 . . . . 0.0 113.441 170.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -60.38 130.0 44.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.019 0.927 . . . . 0.0 111.858 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -71.9 -23.98 61.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -171.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.93 148.73 0.1 OUTLIER Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 127.936 2.494 . . . . 0.0 114.867 -170.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.98 150.02 66.29 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.822 2.348 . . . . 0.0 112.974 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -134.98 -8.62 2.34 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.854 1.661 . . . . 0.0 113.651 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -134.45 19.7 3.64 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.889 2.076 . . . . 0.0 112.717 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.1 t -62.7 146.9 51.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.586 1.155 . . . . 0.0 112.625 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.19 -24.52 67.26 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.439 1.095 . . . . 0.0 113.129 174.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.88 -40.17 96.69 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.544 -1.348 . . . . 0.0 111.285 177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -69.48 -33.25 72.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.948 0.899 . . . . 0.0 112.847 174.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -69.31 -47.6 64.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.782 0.833 . . . . 0.0 111.821 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -66.01 -31.18 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.164 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -68.95 -29.32 67.53 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.194 0.998 . . . . 0.0 113.513 169.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -31.28 10.86 Favored Glycine 0 CA--C 1.541 1.668 0 N-CA-C 116.19 1.236 . . . . 0.0 116.19 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.56 178.33 4.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.217 1.407 . . . . 0.0 114.309 -176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 169.75 9.5 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.613 1.165 . . . . 0.0 112.882 175.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -60.52 -26.74 67.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.317 1.228 . . . . 0.0 114.317 -173.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -63.66 -34.34 77.62 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.238 1.015 . . . . 0.0 112.095 173.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.72 -34.7 62.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.444 1.097 . . . . 0.0 112.275 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.55 -49.48 71.07 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.449 0.7 . . . . 0.0 110.826 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.48 -33.33 72.43 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.98 65.34 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -114.1 -27.29 7.73 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.97 -39.25 66.28 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.202 0.91 . . . . 0.0 111.509 168.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.54 -121.97 26.44 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.91 1.243 . . . . 0.0 113.077 173.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.92 -26.14 65.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.04 1.336 . . . . 0.0 113.742 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -93.24 3.69 55.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.145 1.378 . . . . 0.0 114.374 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -57.12 145.14 32.09 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.961 -1.087 . . . . 0.0 112.552 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.474 HG22 HD21 ' A' ' 70' ' ' ASN . 8.4 tp -56.03 141.72 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -168.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -97.37 48.25 1.04 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.434 1.093 . . . . 0.0 111.064 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 59.62 171.78 0.08 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.664 1.985 . . . . 0.0 114.266 -168.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.11 77.14 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.968 1.271 . . . . 0.0 115.762 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.88 150.42 51.94 Favored Glycine 0 CA--C 1.537 1.442 0 CA-C-N 118.991 1.395 . . . . 0.0 112.901 175.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.54 131.56 47.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.44 1.019 . . . . 0.0 113.175 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.9 p -74.48 169.33 17.95 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.921 1.288 . . . . 0.0 113.191 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.42 162.53 54.14 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.507 1.051 . . . . 0.0 114.032 175.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.82 -148.68 8.8 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 126.346 1.927 . . . . 0.0 114.248 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.18 -2.98 87.94 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 125.056 1.312 . . . . 0.0 114.349 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 80.4 p -76.21 170.09 16.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.835 1.654 . . . . 0.0 112.716 172.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.73 -177.26 18.26 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.139 0.876 . . . . 0.0 113.931 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.76 4.73 82.27 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.653 1.121 . . . . 0.0 115.479 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.11 168.24 50.43 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 125.31 1.433 . . . . 0.0 113.371 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 m -64.66 140.08 58.83 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.293 1.037 . . . . 0.0 112.325 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.2 ttt -72.56 -39.35 67.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.76 0.824 . . . . 0.0 112.256 176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -77.24 154.7 32.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.77 1.228 . . . . 0.0 112.335 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -72.93 163.43 68.44 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.703 1.201 . . . . 0.0 112.218 167.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -61.48 166.52 11.28 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 123.779 2.986 . . . . 0.0 114.037 170.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -64.42 148.28 50.82 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.597 0.759 . . . . 0.0 112.217 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.5 p -73.31 -9.89 59.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.533 1.133 . . . . 0.0 113.517 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.0 m -67.59 -29.77 69.21 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.614 1.166 . . . . 0.0 113.58 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -131.33 176.19 8.49 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.099 2.16 . . . . 0.0 111.529 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -173.55 -40.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 115.011 0.764 . . . . 0.0 115.011 173.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -59.77 -38.99 83.36 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 118.142 0.971 . . . . 0.0 112.82 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 pttp -85.8 -44.72 12.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.347 1.459 . . . . 0.0 113.278 171.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.43 -41.94 99.08 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.503 0.721 . . . . 0.0 112.776 -172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -71.23 -54.01 12.4 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 122.843 0.457 . . . . 0.0 110.771 174.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -60.17 -45.02 94.52 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.48 -34.67 75.86 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.309 -0.869 . . . . 0.0 111.664 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -72.11 -40.78 67.9 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.782 0.833 . . . . 0.0 112.163 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -56.45 -49.82 73.5 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.875 1.216 . . . . 0.0 111.153 174.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.48 -34.93 78.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.099 0.56 . . . . 0.0 111.839 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.6 t -67.65 -32.28 72.86 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 172.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.6 mtt-85 -80.74 -26.97 36.99 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.03 1.332 . . . . 0.0 114.324 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -79.32 153.02 30.15 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.176 0.99 . . . . 0.0 112.745 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 37.1 t -67.16 157.96 32.41 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.473 1.509 . . . . 0.0 112.671 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -52.97 -36.56 60.28 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.089 1.356 . . . . 0.0 112.956 170.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.474 HD21 HG22 ' A' ' 32' ' ' ILE . 13.1 m120 -69.88 -42.62 73.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.189 0.596 . . . . 0.0 112.441 174.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.02 -37.62 88.21 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.212 1.005 . . . . 0.0 112.602 174.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.04 -45.2 93.63 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.631 1.572 . . . . 0.0 112.595 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 47.5 mtm -60.42 -43.32 96.85 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.875 -0.516 . . . . 0.0 111.818 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.47 -46.45 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.64 -38.59 91.54 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.902 0.774 . . . . 0.0 111.351 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.31 -42.78 83.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.625 0.77 . . . . 0.0 111.595 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.36 -42.72 96.06 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 121.507 -0.745 . . . . 0.0 111.285 176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.31 -49.44 77.6 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 118.523 -0.751 . . . . 0.0 112.722 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -68.72 -26.03 65.06 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -72.54 -36.91 68.39 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.556 1.542 . . . . 0.0 112.845 171.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -71.57 -37.18 71.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.436 1.095 . . . . 0.0 112.709 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -81.62 -27.97 33.92 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -73.15 -31.92 64.56 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.994 1.27 . . . . 0.0 112.821 -177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.91 -11.67 60.43 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -101.97 1.39 36.63 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.718 1.207 . . . . 0.0 114.051 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -72.15 153.54 41.58 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.402 1.081 . . . . 0.0 112.583 174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.368 0 C-N-CA 125.445 1.497 . . . . 0.0 112.713 179.089 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -66.92 -17.23 51.47 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.993 3.129 . . . . 0.0 115.708 -175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.95 6.87 89.16 Favored Glycine 0 CA--C 1.542 1.751 0 C-N-CA 124.593 1.092 . . . . 0.0 114.907 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -66.13 149.59 50.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.005 1.322 . . . . 0.0 112.297 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -69.92 -21.75 63.26 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.59 1.156 . . . . 0.0 113.486 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.48 165.28 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.196 0 C-N-CA 127.276 2.23 . . . . 0.0 114.287 -169.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -60.28 112.32 1.27 Allowed 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.227 2.618 . . . . 0.0 112.257 176.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -86.05 -18.65 31.88 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -95.58 -3.1 47.04 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.243 1.417 . . . . 0.0 114.339 -172.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 11.8 t -100.14 140.03 34.97 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.067 1.347 . . . . 0.0 112.329 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -70.78 -36.43 73.04 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.34 1.056 . . . . 0.0 112.437 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.77 -43.07 94.44 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.739 0.816 . . . . 0.0 112.212 -171.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 44.5 m -70.11 -31.03 68.38 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.868 0.867 . . . . 0.0 112.805 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.44 -47.44 41.62 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.369 -0.832 . . . . 0.0 111.861 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.91 -26.51 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 125.445 1.498 . . . . 0.0 113.241 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -80.69 -15.82 55.55 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 167.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -48.18 4.93 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.192 0.901 . . . . 0.0 113.515 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -75.45 156.43 35.27 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.038 1.335 . . . . 0.0 112.839 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.81 176.08 5.27 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.737 1.215 . . . . 0.0 113.614 -171.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -59.48 -30.64 68.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -66.8 -31.97 72.94 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.055 0.843 . . . . 0.0 113.168 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -77.59 -34.78 53.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.395 1.078 . . . . 0.0 111.518 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -63.74 -47.32 81.52 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.325 0.65 . . . . 0.0 110.863 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.23 71.01 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.922 0.783 . . . . 0.0 113.039 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.17 -21.97 64.87 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.08 -28.83 8.49 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -71.96 -37.34 69.95 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.61 1.164 . . . . 0.0 112.032 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.91 -121.51 25.34 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.622 1.106 . . . . 0.0 113.227 172.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.52 -23.5 66.99 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.556 1.143 . . . . 0.0 114.007 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -93.0 5.08 52.75 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.2 1.4 . . . . 0.0 114.279 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.03 149.13 37.88 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.401 -0.812 . . . . 0.0 112.34 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.508 HG22 HD21 ' B' ' 170' ' ' ASN . 6.5 tp -64.08 144.0 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 O-C-N 121.448 -0.783 . . . . 0.0 112.421 -174.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -90.3 -7.6 52.96 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.06 137.4 38.93 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.697 1.199 . . . . 0.0 112.559 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.18 128.85 22.85 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.965 -0.459 . . . . 0.0 112.314 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.57 9.47 78.3 Favored Glycine 0 CA--C 1.541 1.656 0 C-N-CA 124.46 1.028 . . . . 0.0 115.549 178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.52 -147.44 43.8 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-N 119.145 1.472 . . . . 0.0 113.531 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 63.8 m -110.1 159.57 17.21 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.409 1.484 . . . . 0.0 113.42 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.16 150.12 49.3 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.603 1.097 . . . . 0.0 114.076 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.02 -147.08 8.45 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 125.662 1.601 . . . . 0.0 112.505 -174.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 83.75 164.97 37.73 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.972 1.273 . . . . 0.0 113.368 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 13.8 t -75.78 148.91 38.11 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.037 0.935 . . . . 0.0 113.317 -174.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -162.57 165.03 36.01 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 126.059 1.79 . . . . 0.0 112.752 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 156.66 170.44 21.74 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.834 1.206 . . . . 0.0 114.091 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -76.14 136.11 18.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.328 0.966 . . . . 0.0 112.784 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 28.7 t -70.74 142.75 51.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.065 0.946 . . . . 0.0 113.02 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 8.2 tpt 60.82 9.22 2.13 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.21 2.204 . . . . 0.0 116.056 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -71.77 142.62 49.71 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.333 -1.48 . . . . 0.0 111.795 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -72.27 153.25 92.3 Favored Pre-proline 0 N--CA 1.476 0.874 0 C-N-CA 124.516 1.126 . . . . 0.0 112.147 175.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -66.46 148.83 84.48 Favored 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.156 2.57 . . . . 0.0 112.691 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 33.1 p -80.2 150.62 30.05 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.276 1.43 . . . . 0.0 113.255 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 22.3 m -79.21 -5.14 53.6 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.956 1.302 . . . . 0.0 114.126 174.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 21.1 m -64.13 164.5 10.7 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.919 2.088 . . . . 0.0 113.896 -178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.79 121.7 13.53 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.48 1.112 . . . . 0.0 113.156 -171.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -71.37 -44.64 51.15 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 123.992 0.806 . . . . 0.0 114.774 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 47.9 p-90 -59.94 -31.07 69.51 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.949 0.875 . . . . 0.0 113.087 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -81.81 -63.08 1.46 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.513 1.925 . . . . 0.0 110.781 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -65.16 -42.44 93.73 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -172.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -69.71 -33.6 72.73 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.902 -1.124 . . . . 0.0 112.293 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -72.74 -52.3 15.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.009 0.924 . . . . 0.0 110.852 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.35 -39.88 94.58 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.886 0.874 . . . . 0.0 112.752 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 9.7 t -67.94 -41.73 82.06 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.753 0.706 . . . . 0.0 112.06 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -61.89 -42.22 98.82 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.069 0.849 . . . . 0.0 111.99 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.02 -28.29 69.48 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.1 t -73.17 -39.48 65.6 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.66 1.118 . . . . 0.0 112.615 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 67.2 mtt-85 -72.89 -33.94 66.35 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 125.688 1.595 . . . . 0.0 113.815 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -70.84 151.81 44.38 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.791 1.636 . . . . 0.0 112.278 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.0 t -78.21 156.59 29.7 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.501 1.12 . . . . 0.0 111.263 175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -54.54 -37.86 65.9 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.743 -1.223 . . . . 0.0 112.78 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.508 HD21 HG22 ' B' ' 132' ' ' ILE . 14.2 m120 -59.53 -40.99 89.01 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.361 173.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -68.58 -37.29 79.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.303 1.041 . . . . 0.0 112.136 173.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.6 -38.88 92.54 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -59.67 -46.53 88.76 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.282 0.946 . . . . 0.0 111.124 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.48 -44.99 66.56 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.96 -39.2 93.6 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 119.164 0.893 . . . . 0.0 111.865 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -68.71 -42.26 77.93 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.922 0.889 . . . . 0.0 112.535 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.47 -45.5 93.99 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.216 -0.927 . . . . 0.0 110.693 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -60.82 -48.1 83.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.734 0.814 . . . . 0.0 112.862 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.89 -25.98 64.88 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.324 0.966 . . . . 0.0 112.658 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -75.08 -33.71 61.69 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.987 1.315 . . . . 0.0 112.889 170.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.96 -38.32 69.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.089 0.956 . . . . 0.0 112.469 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -81.93 -24.43 35.61 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -76.99 -27.85 54.85 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.507 1.049 . . . . 0.0 113.235 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.75 -12.38 60.02 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -97.62 1.99 49.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.751 1.22 . . . . 0.0 113.596 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -66.75 155.04 39.22 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.617 1.167 . . . . 0.0 112.536 175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.392 1.472 . . . . 0.0 113.29 179.162 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 119.968 -0.351 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -73.24 -18.92 23.05 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 124.125 3.217 . . . . 0.0 114.229 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.48 153.45 20.91 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.297 1.427 . . . . 0.0 113.762 -174.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.7 m -72.74 136.71 45.57 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.726 1.21 . . . . 0.0 112.847 -175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -86.05 -16.71 37.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.519 1.128 . . . . 0.0 113.873 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.05 161.31 0.11 Allowed Pre-proline 0 CA--C 1.56 1.337 0 C-N-CA 128.264 2.625 . . . . 0.0 115.606 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -62.56 153.28 72.56 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.759 2.973 . . . . 0.0 114.036 176.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -83.87 -15.41 48.25 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -117.39 1.1 12.34 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -166.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p -69.54 120.07 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.616 1.098 . . . . 0.0 111.214 172.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 -69.95 -31.88 69.84 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -163.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.82 -47.11 87.86 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.805 1.184 . . . . 0.0 110.712 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.4 m -65.83 -34.75 78.86 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.278 1.031 . . . . 0.0 112.658 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -68.32 -47.38 67.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.711 0.804 . . . . 0.0 112.016 175.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -66.82 -29.87 47.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 124.603 1.161 . . . . 0.0 112.559 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -76.55 -20.15 57.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 170.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.34 -29.34 14.65 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.734 1.159 . . . . 0.0 115.373 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.91 -177.92 4.07 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.53 1.532 . . . . 0.0 114.138 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.39 171.42 12.98 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.725 1.21 . . . . 0.0 113.112 175.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -59.75 -27.69 66.72 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.268 1.211 . . . . 0.0 114.268 -171.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -64.53 -33.98 77.17 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.907 0.883 . . . . 0.0 112.272 173.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -71.12 -38.05 72.31 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.296 1.038 . . . . 0.0 111.684 174.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -65.49 -46.83 78.2 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.765 0.826 . . . . 0.0 111.307 175.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.04 -33.5 70.84 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.34 -21.71 63.81 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.54 -27.19 8.68 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mp -78.37 -38.36 42.07 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.497 1.119 . . . . 0.0 112.067 171.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.42 -125.51 39.75 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.785 1.183 . . . . 0.0 113.427 175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -59.51 -24.32 63.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.292 1.437 . . . . 0.0 113.498 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -92.53 9.86 32.75 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.118 1.367 . . . . 0.0 114.144 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -61.32 140.84 57.92 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.819 -1.175 . . . . 0.0 111.293 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.55 149.96 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 O-C-N 121.378 -0.826 . . . . 0.0 113.214 -172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -93.47 -8.21 42.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.73 162.32 39.79 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.018 1.327 . . . . 0.0 113.289 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -172.84 156.54 25.05 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.309 0.956 . . . . 0.0 113.196 173.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 167.8 164.85 24.19 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.065 1.317 . . . . 0.0 113.847 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.41 -165.27 37.22 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.536 1.065 . . . . 0.0 113.63 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.4 p -71.24 -13.72 62.0 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.012 1.325 . . . . 0.0 114.489 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.13 21.75 77.6 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 123.907 0.765 . . . . 0.0 113.729 -171.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.95 38.02 7.59 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.111 1.339 . . . . 0.0 113.694 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.33 -2.96 85.22 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.941 1.258 . . . . 0.0 116.114 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.7 t -66.1 155.28 37.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.538 1.169 . . . . 0.0 112.546 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.53 164.9 50.54 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.761 1.172 . . . . 0.0 115.238 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.44 -167.78 37.96 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.476 1.512 . . . . 0.0 112.865 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 76.25 15.52 81.38 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.436 1.017 . . . . 0.0 115.42 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.4 m -62.57 157.23 21.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.77 1.628 . . . . 0.0 112.988 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.6 ptm -62.06 158.17 17.22 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.172 0.989 . . . . 0.0 113.124 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.5 144.66 50.8 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.544 1.137 . . . . 0.0 112.806 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -113.07 164.41 15.6 Favored Pre-proline 0 N--CA 1.477 0.911 0 C-N-CA 126.404 1.882 . . . . 0.0 111.505 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -54.63 150.13 36.96 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.639 2.893 . . . . 0.0 113.846 176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.9 t -64.87 154.18 38.04 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.966 1.306 . . . . 0.0 113.276 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.1 t -151.19 148.86 28.76 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.153 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 78.2 p -78.84 -11.88 60.01 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.173 1.389 . . . . 0.0 113.773 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -67.59 154.31 41.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.22 0.918 . . . . 0.0 112.772 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -176.14 -45.44 0.06 OUTLIER Glycine 0 CA--C 1.531 1.048 0 C-N-CA 123.634 0.635 . . . . 0.0 114.31 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -58.22 -38.8 77.51 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.21 1.005 . . . . 0.0 112.84 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -78.18 -42.54 31.24 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.829 1.652 . . . . 0.0 112.694 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -71.51 -47.94 52.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.782 0.833 . . . . 0.0 112.22 -173.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -68.27 -22.84 64.72 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.56 1.144 . . . . 0.0 112.881 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -82.53 -56.29 3.96 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.989 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.7 -34.57 78.17 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -174.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.1 p -64.75 -34.84 79.28 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.758 -0.589 . . . . 0.0 112.584 176.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.9 mtt-85 -72.98 -48.89 32.53 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.397 1.079 . . . . 0.0 110.663 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.3 mp -54.32 -41.6 69.2 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.388 0.675 . . . . 0.0 112.24 178.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.1 p -67.7 -36.99 81.67 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -86.27 -25.18 25.66 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.98 153.55 40.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.73 1.212 . . . . 0.0 111.956 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -62.89 158.02 20.1 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.626 1.17 . . . . 0.0 111.912 171.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.83 -31.39 70.81 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.161 -0.962 . . . . 0.0 111.918 170.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -64.97 -42.65 94.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.943 0.897 . . . . 0.0 112.327 171.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.7 -37.96 79.91 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.207 1.003 . . . . 0.0 111.979 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -60.47 -43.17 97.2 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.261 1.024 . . . . 0.0 111.968 173.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.6 mtm -62.78 -42.72 99.82 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.97 68.81 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.57 -39.79 94.38 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.591 1.087 . . . . 0.0 112.017 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.51 -36.4 83.64 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.336 1.054 . . . . 0.0 112.371 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -46.63 67.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.625 -0.672 . . . . 0.0 111.304 174.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -60.37 -47.8 84.51 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.64 -28.88 69.43 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.874 0.761 . . . . 0.0 112.959 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -73.31 -41.57 63.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.176 0.99 . . . . 0.0 111.697 173.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -68.72 -37.97 79.86 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.191 0.997 . . . . 0.0 112.075 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -78.28 -29.97 48.21 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -75.49 -29.07 59.45 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.823 1.192 . . . . 0.0 112.918 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.77 -14.27 58.83 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -101.91 -18.97 15.45 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -89.97 161.27 15.97 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.499 1.119 . . . . 0.0 113.168 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 C-N-CA 125.559 1.552 . . . . 0.0 113.34 -177.26 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -58.25 152.39 53.39 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 124.176 3.251 . . . . 0.0 114.04 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.31 143.7 43.17 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.456 1.027 . . . . 0.0 114.059 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.8 t -72.44 157.22 38.04 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.799 1.24 . . . . 0.0 112.315 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -63.71 -24.6 67.84 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.116 0.966 . . . . 0.0 112.407 167.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.92 160.2 0.12 Allowed Pre-proline 0 CA--C 1.555 1.16 0 C-N-CA 128.888 2.875 . . . . 0.0 115.526 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -63.17 156.58 54.44 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.37 2.713 . . . . 0.0 113.821 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -142.32 -13.29 0.8 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.12 1.368 . . . . 0.0 114.127 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -110.11 17.29 21.16 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.815 2.046 . . . . 0.0 113.065 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 17.1 p -62.58 143.44 57.25 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.164 1.385 . . . . 0.0 112.609 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.9 -29.62 39.94 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -174.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.29 -50.83 71.43 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.772 1.169 . . . . 0.0 111.443 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 78.2 p -70.48 -28.51 65.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.674 0.79 . . . . 0.0 112.972 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -67.35 -54.86 16.82 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.008 0.923 . . . . 0.0 111.52 173.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -61.39 -34.03 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 125.582 1.553 . . . . 0.0 112.668 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -70.61 -21.86 62.6 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 171.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.38 -39.99 5.85 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 124.952 1.263 . . . . 0.0 114.7 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.9 pp -79.4 176.09 10.01 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.533 1.133 . . . . 0.0 113.953 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -120.04 173.66 6.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.231 1.412 . . . . 0.0 113.567 -171.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.76 -30.28 67.4 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.004 1.321 . . . . 0.0 114.312 -172.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -65.31 -35.96 82.61 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.476 0.71 . . . . 0.0 112.044 175.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.98 -30.42 50.18 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.054 0.942 . . . . 0.0 112.434 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.02 -47.97 72.68 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.319 0.648 . . . . 0.0 110.64 170.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.63 -29.8 69.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.15 -17.94 65.07 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.49 -25.56 5.99 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.2 mp -72.49 -34.28 67.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.927 0.891 . . . . 0.0 112.326 168.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.98 -140.6 45.74 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.928 1.251 . . . . 0.0 113.095 176.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -64.05 -16.72 62.32 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.147 0.979 . . . . 0.0 113.476 175.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -81.09 -0.02 38.12 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 125.286 1.434 . . . . 0.0 113.654 174.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -56.22 143.49 33.41 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 120.787 -1.196 . . . . 0.0 112.835 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.516 HG22 HD21 ' B' ' 170' ' ' ASN . 6.3 tp -64.07 149.44 10.87 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -167.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -98.9 6.3 46.85 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.909 1.684 . . . . 0.0 113.443 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -136.62 166.69 22.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.878 1.671 . . . . 0.0 113.527 -159.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -76.32 158.02 48.73 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.896 1.236 . . . . 0.0 113.866 171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -111.5 0.22 27.81 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.03 1.3 . . . . 0.0 116.015 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 164.14 -167.77 38.28 Favored Glycine 0 CA--C 1.534 1.278 0 CA-C-N 119.012 1.406 . . . . 0.0 113.508 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 43.4 t -155.89 -57.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.66 1.184 . . . . 0.0 111.346 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -96.93 -163.41 32.37 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.644 1.593 . . . . 0.0 112.601 165.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.78 139.76 23.3 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 123.75 0.691 . . . . 0.0 112.975 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.49 2.05 68.93 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 125.014 1.292 . . . . 0.0 115.489 177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 90.7 p -151.29 167.52 27.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.663 1.985 . . . . 0.0 111.392 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 179.65 169.68 40.32 Favored Glycine 0 CA--C 1.531 1.049 0 C-N-CA 123.856 0.741 . . . . 0.0 114.365 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -77.45 -174.23 41.07 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.292 1.425 . . . . 0.0 114.162 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -172.84 -165.91 30.55 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.215 1.388 . . . . 0.0 112.574 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 88.0 p -66.93 -30.22 70.3 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.177 0.991 . . . . 0.0 113.343 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 28.0 ptm 47.6 29.33 1.42 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 127.977 2.511 . . . . 0.0 115.684 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -78.64 -5.25 52.46 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -174.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -109.63 144.91 30.84 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 126.253 1.821 . . . . 0.0 112.733 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.24 168.9 22.87 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.682 2.922 . . . . 0.0 112.377 174.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 10.2 t -148.02 -53.01 0.19 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.727 0.811 . . . . 0.0 112.208 172.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 19.4 m 60.34 -40.87 0.1 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 129.497 3.119 . . . . 0.0 118.677 170.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 50.3 m -73.01 154.23 40.58 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.538 1.535 . . . . 0.0 114.437 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 58.26 -87.28 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 127.851 2.46 . . . . 0.0 115.236 174.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.03 -35.96 1.92 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.688 1.613 . . . . 0.0 115.457 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -62.0 -25.52 67.69 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.914 1.286 . . . . 0.0 113.852 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -80.17 -42.32 23.62 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.161 1.784 . . . . 0.0 112.387 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -70.69 -42.96 70.0 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.483 1.113 . . . . 0.0 112.543 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -64.19 -35.23 80.1 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.408 0.683 . . . . 0.0 112.359 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.9 -53.05 16.48 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.364 1.466 . . . . 0.0 111.952 174.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 63.1 tp -58.59 -37.0 74.87 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.262 1.025 . . . . 0.0 112.699 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 57.8 m -64.29 -20.8 66.32 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 177.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -86.17 -47.69 9.25 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.39 0.995 . . . . 0.0 111.237 170.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.2 mp -61.13 -28.41 69.09 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.8 p -68.36 -27.87 66.63 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.409 1.004 . . . . 0.0 113.519 172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.83 -34.04 17.17 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.261 1.824 . . . . 0.0 113.97 -177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.0 mp -63.79 156.85 26.03 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.951 1.301 . . . . 0.0 112.358 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.9 t -68.55 156.79 37.36 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.677 1.191 . . . . 0.0 111.583 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -61.56 -34.02 74.86 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 120.922 -1.111 . . . . 0.0 112.008 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.516 HD21 HG22 ' B' ' 132' ' ' ILE . 35.8 m120 -63.27 -42.12 99.08 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.482 -0.761 . . . . 0.0 112.436 172.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -65.67 -39.03 90.9 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.682 0.793 . . . . 0.0 111.643 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.68 -45.1 95.44 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.962 0.905 . . . . 0.0 113.052 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -56.7 -48.33 77.93 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.175 0.898 . . . . 0.0 111.451 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.99 65.43 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -173.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.93 -36.87 84.54 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.061 0.846 . . . . 0.0 111.64 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.07 -46.82 76.34 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.7 0.8 . . . . 0.0 111.71 175.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.86 -44.24 97.29 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.331 -0.855 . . . . 0.0 111.128 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.6 mttm -60.5 -50.21 74.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.141 0.976 . . . . 0.0 112.902 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.92 -26.41 65.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -75.31 -33.24 61.15 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.855 1.262 . . . . 0.0 112.424 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.64 -42.08 71.32 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.63 1.172 . . . . 0.0 112.302 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -81.74 -12.45 58.59 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -87.94 -34.59 18.06 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 120.088 1.313 . . . . 0.0 112.763 177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.74 -16.46 61.65 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -87.85 -8.73 55.47 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.852 1.261 . . . . 0.0 114.102 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -80.81 156.52 26.11 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.547 1.139 . . . . 0.0 113.098 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.341 0 C-N-CA 125.658 1.599 . . . . 0.0 113.173 -178.698 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.455 0 CA-C-O 119.801 -0.444 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -69.46 165.01 32.08 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.0 3.133 . . . . 0.0 112.888 179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.38 -125.97 7.6 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 123.62 0.629 . . . . 0.0 113.332 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.4 t 66.32 140.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.344 2.258 . . . . 0.0 114.621 -166.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -82.67 -27.93 30.97 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -170.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.94 156.42 0.11 Allowed Pre-proline 0 CA--C 1.556 1.2 0 C-N-CA 127.019 2.127 . . . . 0.0 115.075 -170.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -65.13 159.33 47.33 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.049 1.832 . . . . 0.0 112.49 172.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 pp -134.91 -23.61 1.54 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.126 1.371 . . . . 0.0 113.678 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -153.38 54.66 0.75 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.073 1.749 . . . . 0.0 109.544 173.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.58 129.82 40.51 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 122.808 1.29 . . . . 0.0 113.334 -170.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -63.24 -39.75 95.49 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.749 2.02 . . . . 0.0 111.444 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.52 -43.11 91.05 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.572 1.149 . . . . 0.0 111.109 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.9 t -64.35 -38.24 90.35 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.983 0.513 . . . . 0.0 112.326 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.19 -45.97 75.32 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.529 -0.732 . . . . 0.0 112.545 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.5 mm -66.67 -26.6 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 124.771 1.228 . . . . 0.0 113.223 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -84.49 -21.45 30.61 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.858 -1.151 . . . . 0.0 113.921 173.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.39 -27.91 28.93 Favored Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.707 1.146 . . . . 0.0 115.303 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.66 179.84 3.95 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.103 1.761 . . . . 0.0 114.042 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.63 168.68 11.88 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.362 1.465 . . . . 0.0 112.418 172.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -60.81 -23.16 64.85 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.06 -32.84 74.54 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.491 1.116 . . . . 0.0 112.431 171.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -74.37 -33.75 63.16 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.419 1.088 . . . . 0.0 112.111 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.06 -47.02 78.82 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.078 0.551 . . . . 0.0 110.644 171.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.78 -32.79 70.94 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.618 -0.676 . . . . 0.0 112.739 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.39 -17.16 64.16 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 177.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.91 -27.54 5.37 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.81 -34.77 62.43 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 124.524 1.13 . . . . 0.0 111.77 169.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.51 -128.27 46.58 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.72 1.152 . . . . 0.0 113.103 174.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.19 -19.14 62.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.558 1.143 . . . . 0.0 113.907 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -94.36 8.53 41.63 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.192 1.397 . . . . 0.0 114.275 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.65 149.09 36.23 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.388 -0.82 . . . . 0.0 110.98 167.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.486 HG22 HD21 ' A' ' 70' ' ' ASN . 5.5 tp -60.45 143.25 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.221 0.608 . . . . 0.0 112.351 -172.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -91.88 -0.34 57.51 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -94.49 -7.5 41.11 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.845 1.658 . . . . 0.0 113.684 176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.35 -177.73 45.7 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 124.681 1.134 . . . . 0.0 114.439 -170.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.32 -169.98 54.66 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 124.595 1.093 . . . . 0.0 114.199 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.88 -8.73 0.53 Allowed Glycine 0 CA--C 1.536 1.384 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.8 p -79.6 -19.7 48.68 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.06 -154.83 52.94 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 119.311 0.959 . . . . 0.0 113.802 -177.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.08 -147.49 16.51 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.828 1.204 . . . . 0.0 113.703 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 177.94 52.13 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.719 1.152 . . . . 0.0 113.872 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.6 t -148.09 168.29 22.76 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.511 1.524 . . . . 0.0 112.144 -177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.46 -155.74 27.27 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.244 1.402 . . . . 0.0 113.866 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -172.04 168.31 41.39 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.756 1.17 . . . . 0.0 113.535 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.91 -15.94 63.24 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.325 0.964 . . . . 0.0 115.336 -177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.9 p -73.93 -11.56 60.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.627 1.571 . . . . 0.0 114.541 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 94.5 mmm -64.99 143.97 57.6 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.851 0.86 . . . . 0.0 113.033 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -74.36 154.32 38.9 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.352 1.461 . . . . 0.0 112.837 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -72.89 144.96 86.06 Favored Pre-proline 0 N--CA 1.475 0.8 0 C-N-CA 123.668 0.787 . . . . 0.0 111.413 165.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.12 146.51 41.19 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.272 2.648 . . . . 0.0 112.909 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 65.4 p -87.59 163.11 16.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.185 1.394 . . . . 0.0 111.502 167.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.3 t -65.05 130.49 43.53 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.669 -0.644 . . . . 0.0 111.552 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.7 t -160.04 156.28 26.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.687 1.595 . . . . 0.0 111.419 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -66.54 143.33 57.12 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.86 0.864 . . . . 0.0 112.008 174.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -64.48 -35.92 92.54 Favored Glycine 0 CA--C 1.534 1.276 0 N-CA-C 114.554 0.582 . . . . 0.0 114.554 -173.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.9 p-90 -64.0 -29.96 71.07 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.158 0.983 . . . . 0.0 112.483 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -85.13 -51.85 6.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.844 1.658 . . . . 0.0 111.184 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -64.55 -53.7 43.77 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.391 1.476 . . . . 0.0 112.719 -171.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -64.55 -45.16 88.31 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.282 0.633 . . . . 0.0 111.959 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.81 -54.06 47.41 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.143 0.577 . . . . 0.0 111.763 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.0 tp -61.92 -38.39 88.24 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.683 -0.636 . . . . 0.0 112.234 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.1 t -58.02 -58.42 8.48 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.403 0.681 . . . . 0.0 111.23 174.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -65.32 -36.59 84.51 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.84 -31.69 65.02 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.957 0.799 . . . . 0.0 112.545 173.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 t -71.38 -24.74 62.13 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -82.27 -30.53 30.6 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.8 1.24 . . . . 0.0 112.608 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -70.0 156.54 38.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.822 1.249 . . . . 0.0 112.922 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.7 t -69.04 160.4 31.06 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.656 1.182 . . . . 0.0 112.572 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -60.43 -37.11 79.85 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.188 -0.945 . . . . 0.0 112.249 173.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.486 HD21 HG22 ' A' ' 32' ' ' ILE . 7.7 m120 -64.91 -41.05 95.91 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.815 0.846 . . . . 0.0 111.691 175.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.86 -40.28 87.82 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.944 0.898 . . . . 0.0 112.253 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.77 -45.45 89.78 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.686 1.194 . . . . 0.0 112.079 172.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.9 mtm -62.93 -40.24 97.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.705 0.684 . . . . 0.0 112.419 174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.35 63.81 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.68 -38.05 89.69 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.11 -0.994 . . . . 0.0 110.799 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.71 -37.07 85.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.916 0.886 . . . . 0.0 112.608 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.11 -45.49 77.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.767 0.827 . . . . 0.0 111.328 174.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -60.73 -45.17 95.27 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.245 -0.909 . . . . 0.0 112.494 178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.38 -22.67 61.1 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -74.23 -32.3 62.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.587 1.085 . . . . 0.0 112.732 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -74.64 -32.18 62.19 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.205 1.002 . . . . 0.0 112.796 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -85.06 -31.55 23.35 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -66.96 -19.18 65.68 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 120.685 -1.26 . . . . 0.0 113.078 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.85 -15.26 30.27 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.15 -32.93 13.52 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 119.539 1.063 . . . . 0.0 112.451 176.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.86 161.27 26.69 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.867 0.867 . . . . 0.0 113.158 174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.353 0 C-N-CA 125.604 1.573 . . . . 0.0 113.899 177.101 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 CA-C-O 119.961 -0.355 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.27 -15.06 28.51 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.219 3.279 . . . . 0.0 114.486 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -160.61 -178.31 34.49 Favored Glycine 0 CA--C 1.535 1.337 0 C-N-CA 125.509 1.528 . . . . 0.0 113.264 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 97.9 p -149.41 160.54 43.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.857 1.263 . . . . 0.0 112.305 -176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -109.18 -8.59 15.11 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -171.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.86 146.18 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.18 0 C-N-CA 128.782 2.833 . . . . 0.0 115.412 -173.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -70.98 152.63 63.17 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 123.638 2.892 . . . . 0.0 113.616 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.5 pp -152.74 -18.24 0.16 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.098 1.359 . . . . 0.0 114.1 173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 51.8 p-10 -127.3 23.85 6.36 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.601 1.96 . . . . 0.0 112.95 -174.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -69.48 166.18 19.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.434 1.494 . . . . 0.0 113.19 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -57.23 -34.43 68.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.488 1.115 . . . . 0.0 111.901 176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.93 -46.03 92.32 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.396 1.078 . . . . 0.0 111.29 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 69.3 m -72.48 -29.97 64.12 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.008 0.923 . . . . 0.0 113.226 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -64.97 -45.51 85.38 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.241 -0.912 . . . . 0.0 112.144 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -64.71 -30.73 51.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.462 1.505 . . . . 0.0 112.783 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -74.47 -27.99 60.82 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 169.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.68 -42.53 31.8 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 123.635 0.636 . . . . 0.0 113.663 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.69 164.53 25.2 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.986 1.315 . . . . 0.0 113.249 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.3 177.72 4.7 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.635 1.174 . . . . 0.0 113.469 -173.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -58.88 -30.97 68.16 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -173.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -67.1 -33.84 76.35 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.627 0.771 . . . . 0.0 112.132 174.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -75.88 -38.16 58.14 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.46 1.104 . . . . 0.0 111.842 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.64 -48.47 81.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.172 0.589 . . . . 0.0 110.931 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.99 -34.88 76.99 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.73 -43.7 71.78 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.86 -28.86 39.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.14 -61.24 2.01 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.12 0.873 . . . . 0.0 111.749 169.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.5 110.2 0.04 OUTLIER Glycine 0 CA--C 1.54 1.613 0 C-N-CA 125.04 1.305 . . . . 0.0 113.996 -176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 62.21 -38.84 0.14 Allowed 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 129.307 3.043 . . . . 0.0 116.688 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -79.09 -3.54 45.87 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.782 1.633 . . . . 0.0 114.052 173.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.93 146.67 13.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.71 0.804 . . . . 0.0 110.221 161.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.541 HG22 HD21 ' B' ' 170' ' ' ASN . 7.3 tp -55.57 138.39 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -168.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -116.42 18.54 15.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.061 1.344 . . . . 0.0 113.143 -174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 54.14 26.83 6.98 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.277 1.831 . . . . 0.0 114.176 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -137.03 -150.77 5.83 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 126.024 1.774 . . . . 0.0 113.737 -176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -156.13 -153.56 6.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.9 1.238 . . . . 0.0 112.74 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 153.74 -144.7 11.59 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.425 1.012 . . . . 0.0 113.434 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 19.4 t -145.69 174.88 10.81 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.67 1.588 . . . . 0.0 111.692 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -171.1 168.98 42.1 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 126.053 1.787 . . . . 0.0 113.233 176.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -62.24 -92.55 0.02 OUTLIER Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.229 1.871 . . . . 0.0 116.123 -168.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 173.95 142.61 4.01 Favored Glycine 0 CA--C 1.536 1.357 0 CA-C-N 117.634 0.717 . . . . 0.0 114.715 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 38.9 t -153.13 154.12 34.16 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.799 2.04 . . . . 0.0 110.556 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 157.93 -169.93 34.74 Favored Glycine 0 CA--C 1.533 1.219 0 C-N-CA 125.336 1.446 . . . . 0.0 113.046 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -145.19 -115.27 0.96 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.922 1.248 . . . . 0.0 113.282 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 169.87 -170.25 42.68 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 125.558 1.552 . . . . 0.0 113.64 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 47.3 m -138.49 159.42 42.12 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.5 1.52 . . . . 0.0 112.009 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 63.6 ttp -135.45 -29.07 1.09 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.889 1.275 . . . . 0.0 113.683 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -142.25 160.46 40.21 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.158 1.383 . . . . 0.0 112.35 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.78 152.42 90.38 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 125.207 1.403 . . . . 0.0 112.364 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -67.93 171.23 12.68 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.499 2.8 . . . . 0.0 112.456 169.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 43.7 p -62.75 155.19 27.32 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.965 0.906 . . . . 0.0 112.02 172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 20.1 m -66.12 -24.68 66.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 32.7 t -71.94 146.44 47.8 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.223 1.009 . . . . 0.0 112.884 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -102.17 -2.36 29.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.799 1.639 . . . . 0.0 113.968 168.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -60.29 -29.14 68.16 Favored Glycine 0 CA--C 1.539 1.537 0 O-C-N 120.948 -1.095 . . . . 0.0 114.553 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -73.42 -36.49 65.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.385 1.074 . . . . 0.0 112.063 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -74.24 -47.06 37.61 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.683 1.993 . . . . 0.0 111.466 -175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -64.18 -49.75 70.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.83 1.252 . . . . 0.0 112.219 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -62.88 -45.89 90.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.058 0.943 . . . . 0.0 111.832 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -61.7 -54.66 39.63 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.396 1.078 . . . . 0.0 111.572 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 53.4 tp -61.58 -36.73 81.51 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.339 -0.851 . . . . 0.0 112.622 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.4 t -62.11 -48.62 79.34 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.23 1.012 . . . . 0.0 111.66 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -64.78 -41.68 95.65 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.352 -0.843 . . . . 0.0 111.877 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.47 -28.93 68.72 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 11.2 p -72.47 -28.95 63.23 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.496 1.043 . . . . 0.0 113.366 174.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.8 mtp-105 -74.71 -42.12 58.94 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.496 1.519 . . . . 0.0 112.655 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.8 mp -64.86 140.47 58.87 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.178 0.991 . . . . 0.0 111.607 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 31.6 t -72.65 164.42 26.51 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.737 1.615 . . . . 0.0 112.897 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.465 ' HE2' HD13 ' B' ' 132' ' ' ILE . 65.8 tttt -52.35 -42.57 64.0 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 120.552 -1.343 . . . . 0.0 113.1 177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.541 HD21 HG22 ' B' ' 132' ' ' ILE . 10.1 m120 -63.77 -37.26 86.69 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.179 0.992 . . . . 0.0 112.25 176.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -71.43 -38.0 71.4 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.62 1.168 . . . . 0.0 112.204 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 58.9 mt -60.0 -40.41 89.13 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.808 0.843 . . . . 0.0 112.046 172.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.5 mtm -66.12 -43.96 85.65 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 121.895 -0.503 . . . . 0.0 111.781 172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.26 76.8 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.19 -39.88 94.91 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.373 -0.83 . . . . 0.0 111.06 178.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.97 85.57 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.279 1.032 . . . . 0.0 111.771 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.11 -45.13 94.83 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.786 0.834 . . . . 0.0 111.599 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.57 -52.16 66.72 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.151 0.98 . . . . 0.0 112.303 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -24.89 63.26 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -74.1 -39.01 63.68 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.748 1.619 . . . . 0.0 111.982 173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -70.73 -39.51 73.29 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.379 1.072 . . . . 0.0 112.888 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -76.94 -30.66 56.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -74.41 -30.38 61.91 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.494 1.043 . . . . 0.0 113.173 -176.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -77.31 -8.68 58.03 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -109.62 9.0 25.17 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.466 1.506 . . . . 0.0 113.688 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.8 148.97 50.92 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.057 0.943 . . . . 0.0 112.979 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.365 0 C-N-CA 125.54 1.543 . . . . 0.0 113.805 176.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 CA-C-O 119.665 -0.519 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -63.15 160.32 35.02 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 124.058 3.172 . . . . 0.0 114.481 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.15 147.82 12.36 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 125.181 1.372 . . . . 0.0 112.814 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.8 m -78.58 134.11 37.25 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.613 1.165 . . . . 0.0 113.172 -175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -104.0 -19.78 14.09 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.47 150.24 0.1 OUTLIER Pre-proline 0 CA--C 1.558 1.277 0 C-N-CA 127.367 2.267 . . . . 0.0 113.95 -165.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.98 125.51 13.76 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.792 2.328 . . . . 0.0 112.196 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.41 -12.16 47.02 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.447 1.099 . . . . 0.0 113.161 169.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.02 5.83 31.6 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.366 1.866 . . . . 0.0 114.158 -176.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.4 p -62.03 158.2 17.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.453 1.101 . . . . 0.0 113.237 176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -58.5 -25.16 62.07 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.0 -43.54 95.14 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.999 1.272 . . . . 0.0 111.094 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.2 t -66.2 -38.64 88.46 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.625 0.77 . . . . 0.0 112.293 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -66.05 -48.81 69.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.877 0.871 . . . . 0.0 112.085 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 33.6 mm -69.9 -31.34 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.935 1.294 . . . . 0.0 112.254 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.2 mt-10 -69.67 -26.35 64.34 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 121.075 -1.016 . . . . 0.0 113.692 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.47 -29.33 16.92 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 115.801 1.08 . . . . 0.0 115.801 -174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -76.03 -177.93 4.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.193 1.797 . . . . 0.0 113.982 -178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.47 172.47 11.5 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.53 1.532 . . . . 0.0 113.535 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.41 -27.85 67.79 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -169.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -65.81 -32.14 73.5 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.255 -0.903 . . . . 0.0 112.366 173.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -73.79 -32.91 64.0 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.613 1.165 . . . . 0.0 111.981 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.66 -46.13 66.81 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.654 0.782 . . . . 0.0 111.505 173.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.12 -32.71 70.08 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.538 -0.726 . . . . 0.0 112.958 176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.11 -16.85 64.58 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -120.04 -28.02 5.22 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.43 -37.96 71.42 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.597 1.159 . . . . 0.0 111.876 170.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.86 -122.5 28.93 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.574 1.083 . . . . 0.0 113.728 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -59.13 -27.0 65.21 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.187 1.395 . . . . 0.0 113.415 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -92.94 7.14 45.23 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.879 1.671 . . . . 0.0 114.084 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -61.76 149.33 40.16 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 120.543 -1.348 . . . . 0.0 112.459 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.453 HG22 HD21 ' A' ' 70' ' ' ASN . 5.6 tp -64.75 147.83 12.29 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 123.983 0.913 . . . . 0.0 113.076 -173.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -99.28 7.08 45.98 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.566 1.547 . . . . 0.0 113.717 174.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -116.87 159.99 21.55 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.306 1.842 . . . . 0.0 113.395 -173.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.88 -177.8 42.92 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.215 0.912 . . . . 0.0 113.828 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.74 -12.34 70.48 Favored Glycine 0 CA--C 1.537 1.455 0 N-CA-C 115.607 1.003 . . . . 0.0 115.607 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.2 -160.98 54.18 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.832 1.206 . . . . 0.0 114.458 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.3 p -149.55 165.79 31.14 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.782 1.633 . . . . 0.0 111.655 -179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.8 -172.12 33.7 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.165 0.888 . . . . 0.0 114.155 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.27 166.22 36.08 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.378 0.989 . . . . 0.0 113.969 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.28 149.24 42.02 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 124.728 1.156 . . . . 0.0 113.461 -177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.8 m -149.43 144.83 26.6 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.663 2.785 . . . . 0.0 111.362 0.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.48 160.51 41.83 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 124.229 0.918 . . . . 0.0 113.532 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 -177.81 36.06 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 124.553 1.073 . . . . 0.0 115.119 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.58 150.43 38.2 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.303 0.954 . . . . 0.0 113.492 176.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.0 t -69.52 -39.8 77.31 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.81 0.844 . . . . 0.0 112.847 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 27.8 ttt -153.75 120.21 5.52 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.664 1.586 . . . . 0.0 110.371 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -157.8 163.78 37.68 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.289 1.436 . . . . 0.0 112.004 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.08 150.95 87.43 Favored Pre-proline 0 N--CA 1.479 1.022 0 C-N-CA 125.324 1.45 . . . . 0.0 111.549 172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.35 155.99 67.35 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 123.644 2.896 . . . . 0.0 113.414 -178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -82.85 -12.45 57.42 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.271 1.428 . . . . 0.0 114.455 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 m 56.57 35.6 26.3 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 125.477 1.511 . . . . 0.0 113.999 -174.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.4 t -62.24 153.63 29.98 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.06 1.344 . . . . 0.0 113.215 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -75.63 -6.09 48.67 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.009 1.723 . . . . 0.0 114.159 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.05 -46.05 2.26 Favored Glycine 0 N--CA 1.475 1.252 0 C-N-CA 126.326 1.917 . . . . 0.0 115.431 163.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -59.88 -34.73 73.53 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 118.224 1.012 . . . . 0.0 111.547 173.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -63.83 -49.56 72.33 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 126.333 1.853 . . . . 0.0 111.102 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -64.41 -42.97 95.78 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.854 0.862 . . . . 0.0 112.672 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -51.55 68.86 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.299 1.04 . . . . 0.0 111.142 177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -65.18 -48.36 73.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.419 -0.8 . . . . 0.0 112.1 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.1 tp -66.54 -32.27 73.51 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.27 -0.894 . . . . 0.0 112.734 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.2 t -62.41 -50.31 72.03 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.361 0.664 . . . . 0.0 111.52 171.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -58.14 -47.67 82.59 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.553 -0.717 . . . . 0.0 111.725 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mp -68.75 -19.7 64.35 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.1 t -74.76 -41.57 59.82 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.327 -1.483 . . . . 0.0 112.007 166.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -76.5 -38.34 55.39 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.755 1.622 . . . . 0.0 114.621 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 mp -67.63 157.73 33.81 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.473 1.509 . . . . 0.0 112.691 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.8 t -68.74 151.68 46.33 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.041 1.336 . . . . 0.0 111.7 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -53.72 -35.72 61.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.86 -1.15 . . . . 0.0 112.119 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.453 HD21 HG22 ' A' ' 32' ' ' ILE . 10.6 m120 -64.43 -39.27 93.5 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.813 0.845 . . . . 0.0 112.211 175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -68.76 -40.55 79.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.036 0.934 . . . . 0.0 111.931 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.1 -40.95 95.69 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.154 0.888 . . . . 0.0 112.461 174.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 53.0 mtm -59.86 -44.97 93.85 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.902 0.774 . . . . 0.0 112.045 171.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.76 64.96 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.97 -36.92 85.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.669 1.122 . . . . 0.0 111.188 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.94 88.21 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.793 0.837 . . . . 0.0 111.55 174.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -61.85 -45.9 91.8 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.53 -47.02 85.72 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.782 0.833 . . . . 0.0 113.123 178.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.73 -28.49 67.69 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.15 0.886 . . . . 0.0 112.383 177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -74.52 -31.51 62.18 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.53 1.132 . . . . 0.0 113.099 173.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -74.5 -39.04 62.67 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.515 1.126 . . . . 0.0 112.312 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -77.01 -35.01 57.41 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.423 -0.798 . . . . 0.0 113.131 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -67.89 -31.02 70.53 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.015 -1.053 . . . . 0.0 113.342 -174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -78.76 -6.1 55.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.018 1.327 . . . . 0.0 114.512 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -113.68 4.66 16.14 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.8 1.24 . . . . 0.0 114.16 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -67.2 154.43 41.28 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.221 -0.924 . . . . 0.0 112.513 171.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.277 0 C-N-CA 125.332 1.444 . . . . 0.0 113.143 -179.105 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 CA-C-O 118.828 -0.984 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.08 156.4 65.96 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 123.585 2.857 . . . . 0.0 112.598 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -72.77 157.36 52.5 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.1 0.857 . . . . 0.0 113.95 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 22.3 m -82.66 4.01 26.66 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 63.11 -44.8 0.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 129.77 3.228 . . . . 0.0 116.483 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.62 148.95 0.1 OUTLIER Pre-proline 0 CA--C 1.556 1.204 0 C-N-CA 128.703 2.801 . . . . 0.0 115.861 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -68.83 153.39 72.98 Favored 'Trans proline' 0 CA--C 1.543 0.943 0 C-N-CA 123.429 2.753 . . . . 0.0 113.402 176.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.56 -17.14 9.39 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.875 1.67 . . . . 0.0 112.541 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -104.2 35.65 2.62 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 128.035 2.534 . . . . 0.0 112.122 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 77.8 p -56.7 158.56 4.52 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 125.625 1.57 . . . . 0.0 114.129 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 47.6 mp0 -64.0 -33.84 76.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 113.547 -168.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.8 -38.99 83.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.561 0.744 . . . . 0.0 111.905 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 46.2 m -63.11 -28.78 70.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -78.3 -48.38 15.8 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.26 -0.9 . . . . 0.0 111.275 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.2 mm -66.14 -31.34 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.981 1.312 . . . . 0.0 113.017 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -75.63 -21.93 57.29 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.672 1.189 . . . . 0.0 113.423 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.73 -38.7 9.3 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.532 1.063 . . . . 0.0 114.399 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -75.13 176.08 7.63 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.487 1.515 . . . . 0.0 113.494 178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 178.15 7.08 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.251 1.02 . . . . 0.0 113.373 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -58.92 -29.39 67.04 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.688 1.195 . . . . 0.0 114.158 -173.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -65.02 -34.27 78.03 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.588 -0.695 . . . . 0.0 112.586 173.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -77.13 -39.44 49.34 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.765 1.226 . . . . 0.0 111.481 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.31 -47.46 85.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.832 0.853 . . . . 0.0 110.916 173.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.31 -34.5 77.84 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.7 79.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.412 0.685 . . . . 0.0 112.605 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.27 -29.73 28.18 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.52 -41.05 40.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.398 1.079 . . . . 0.0 111.861 171.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 62.8 -128.9 41.14 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 123.883 0.754 . . . . 0.0 113.164 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -8.81 19.0 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 175.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -101.07 10.34 41.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.693 1.597 . . . . 0.0 113.324 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -59.43 151.76 23.13 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.81 1.244 . . . . 0.0 112.781 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 8.8 tp -58.84 147.34 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 125.066 1.346 . . . . 0.0 113.345 -169.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -115.05 17.77 16.64 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.232 1.413 . . . . 0.0 113.6 -177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -145.6 157.34 43.99 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.592 1.557 . . . . 0.0 112.32 -172.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -80.71 -166.28 34.87 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.531 1.539 . . . . 0.0 114.411 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.4 -153.47 9.04 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.23 1.395 . . . . 0.0 113.087 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -65.83 162.43 42.13 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.064 0.84 . . . . 0.0 114.492 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 15.7 t -64.93 152.67 42.6 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.328 1.051 . . . . 0.0 113.109 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -69.19 165.73 48.85 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 124.627 1.108 . . . . 0.0 114.382 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 76.24 -178.84 48.95 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.379 0.99 . . . . 0.0 114.18 -175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -76.42 167.7 54.61 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.172 0.891 . . . . 0.0 114.487 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 89.3 p -78.2 -0.1 27.19 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.442 1.497 . . . . 0.0 114.859 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 98.32 3.68 57.58 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 125.228 1.394 . . . . 0.0 115.612 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -174.56 167.14 39.31 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 118.616 1.208 . . . . 0.0 113.251 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.34 145.43 37.52 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.904 0.764 . . . . 0.0 113.196 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 31.3 t -69.11 139.51 54.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.674 0.79 . . . . 0.0 112.021 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 25.1 ptp -158.41 167.66 29.07 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.185 1.394 . . . . 0.0 111.574 -175.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 57.48 33.5 23.35 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.01 1.724 . . . . 0.0 114.602 175.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -59.37 153.39 48.95 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 124.792 1.237 . . . . 0.0 111.685 172.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.17 144.43 75.17 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.586 2.19 . . . . 0.0 111.411 171.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 51.1 p -142.16 141.05 32.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.088 1.355 . . . . 0.0 110.793 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 91.8 p -157.78 178.34 10.36 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.065 1.346 . . . . 0.0 112.246 -172.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 18.2 t -59.93 151.34 26.26 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.45 1.1 . . . . 0.0 112.861 177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 63.42 -38.37 0.18 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.514 2.726 . . . . 0.0 115.495 -169.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 75.02 -24.33 1.3 Allowed Glycine 0 N--CA 1.474 1.216 0 C-N-CA 127.015 2.245 . . . . 0.0 116.867 162.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -57.67 -39.98 78.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.799 1.24 . . . . 0.0 112.956 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.11 -36.45 81.95 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.177 1.391 . . . . 0.0 112.542 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -73.17 -49.6 27.23 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.334 1.054 . . . . 0.0 111.293 -176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -70.05 -21.08 63.2 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -80.53 -58.08 3.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.926 0.89 . . . . 0.0 111.196 171.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.0 tp -62.37 -39.27 92.62 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 88.8 p -65.77 -29.47 69.97 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -74.24 -46.7 39.94 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.87 -1.144 . . . . 0.0 111.724 169.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.9 mp -61.22 -30.23 70.31 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 91.7 p -71.32 -27.56 63.47 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 172.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -91.22 -29.69 17.07 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.859 1.664 . . . . 0.0 113.624 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.3 mp -66.32 151.05 47.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.277 1.431 . . . . 0.0 111.985 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 54.1 p -73.1 167.72 20.55 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.118 0.967 . . . . 0.0 113.185 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -56.44 -39.2 72.72 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.698 1.199 . . . . 0.0 112.305 172.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -68.32 -41.52 80.73 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.756 1.223 . . . . 0.0 113.115 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.22 -37.53 83.75 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.009 0.822 . . . . 0.0 112.222 175.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 23.3 mt -62.35 -40.21 95.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.701 1.2 . . . . 0.0 112.277 173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 37.1 mtm -59.86 -50.76 72.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.46 0.573 . . . . 0.0 111.55 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.24 87.0 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.43 -40.56 95.98 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.23 -0.919 . . . . 0.0 111.56 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.4 -38.85 85.31 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.08 0.952 . . . . 0.0 111.865 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.55 -48.24 78.28 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.937 0.895 . . . . 0.0 110.733 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.9 -49.31 78.21 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.927 0.891 . . . . 0.0 112.79 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.33 -25.61 64.29 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.738 0.699 . . . . 0.0 112.609 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -77.22 -40.0 46.55 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.907 0.883 . . . . 0.0 112.266 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -64.28 -34.94 79.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.879 0.871 . . . . 0.0 112.666 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -85.47 -23.47 27.79 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.8 -30.28 35.94 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.208 1.367 . . . . 0.0 113.073 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.49 -13.3 62.06 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -97.18 1.65 50.08 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.872 1.269 . . . . 0.0 114.35 174.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.26 150.92 47.67 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.044 -1.035 . . . . 0.0 112.273 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 C-N-CA 125.415 1.484 . . . . 0.0 113.23 177.228 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.476 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -59.82 164.24 12.15 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 124.082 3.188 . . . . 0.0 114.565 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.98 -20.01 68.34 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.29 0.948 . . . . 0.0 114.996 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.0 t -151.84 139.19 19.42 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.496 1.519 . . . . 0.0 111.02 167.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -93.14 -11.9 31.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.087 1.355 . . . . 0.0 113.951 -178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.11 150.22 0.11 Allowed Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.281 2.632 . . . . 0.0 115.243 -173.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.98 156.94 59.3 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.224 2.616 . . . . 0.0 112.837 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.52 -15.77 0.93 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.241 1.416 . . . . 0.0 113.737 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -88.01 -6.11 58.15 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.141 1.776 . . . . 0.0 113.856 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 19.2 p -65.6 152.73 43.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.073 1.349 . . . . 0.0 111.666 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -55.74 -48.13 75.76 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.664 1.185 . . . . 0.0 113.889 -164.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.43 -47.46 79.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.24 0.616 . . . . 0.0 111.101 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 m -63.92 -35.9 82.2 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.226 1.011 . . . . 0.0 112.69 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.49 -48.87 63.31 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.936 0.895 . . . . 0.0 111.629 175.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.1 mm -65.16 -32.16 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.689 1.196 . . . . 0.0 112.549 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -69.76 -30.18 67.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 170.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.72 -31.28 15.93 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -174.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.56 179.2 6.1 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 124.792 1.237 . . . . 0.0 114.294 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -122.19 168.21 12.27 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.731 1.612 . . . . 0.0 112.69 178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.67 -28.6 65.88 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -167.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -64.2 -31.61 72.87 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.21 -0.931 . . . . 0.0 112.722 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -79.87 -25.72 40.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.513 1.125 . . . . 0.0 112.347 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.5 mt -69.39 -49.76 52.34 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.704 0.802 . . . . 0.0 110.067 167.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.46 -29.69 66.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.037 0.935 . . . . 0.0 113.443 177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 -18.27 65.24 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 176.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.38 -26.19 5.06 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -72.59 -36.38 68.14 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.238 1.015 . . . . 0.0 112.196 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.5 -129.4 49.55 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.702 1.144 . . . . 0.0 113.281 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -59.01 -35.74 73.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.138 1.375 . . . . 0.0 112.542 175.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -77.09 5.05 8.86 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.009 1.324 . . . . 0.0 113.375 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.75 137.92 57.91 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.215 -0.928 . . . . 0.0 111.261 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.479 HG22 HD21 ' A' ' 70' ' ' ASN . 3.7 tp -67.84 145.6 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.9 0.88 . . . . 0.0 112.888 -169.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -97.48 1.12 48.73 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.631 1.172 . . . . 0.0 113.981 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -95.16 -9.89 32.12 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.01 1.724 . . . . 0.0 114.021 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.46 6.79 88.1 Favored Glycine 0 CA--C 1.542 1.764 0 C-N-CA 125.036 1.303 . . . . 0.0 115.994 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 71.63 -167.89 51.84 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 118.794 1.297 . . . . 0.0 114.449 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.47 170.95 32.94 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.2 t -154.37 165.76 35.35 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.708 2.003 . . . . 0.0 111.448 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -154.96 -177.95 28.77 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.724 1.63 . . . . 0.0 114.029 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.04 -133.21 1.45 Allowed Glycine 0 CA--C 1.538 1.502 0 C-N-CA 123.94 0.781 . . . . 0.0 114.84 -173.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.35 -147.68 18.73 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.104 1.335 . . . . 0.0 113.162 -172.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.9 m -59.99 140.08 57.0 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.156 1.382 . . . . 0.0 113.636 -173.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -93.47 174.95 35.49 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.181 1.372 . . . . 0.0 114.135 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.59 0.49 85.48 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.764 1.173 . . . . 0.0 115.64 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.46 -16.59 55.16 Favored Glycine 0 CA--C 1.54 1.638 0 CA-C-N 118.926 1.363 . . . . 0.0 116.126 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -73.66 -17.39 61.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.653 1.181 . . . . 0.0 113.683 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 15.6 tpt -72.42 147.82 45.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.499 1.12 . . . . 0.0 113.059 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -65.52 159.05 25.37 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.862 1.265 . . . . 0.0 112.621 175.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -60.45 146.38 84.88 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.146 0.978 . . . . 0.0 113.327 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -72.63 155.35 54.55 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.548 2.832 . . . . 0.0 112.933 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.7 t -75.56 -19.29 59.4 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.619 1.167 . . . . 0.0 113.538 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 t -150.42 161.6 42.19 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.441 1.496 . . . . 0.0 111.9 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.1 m -74.18 33.73 0.09 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.95 2.1 . . . . 0.0 115.739 -169.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -69.32 155.95 39.58 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 120.86 -1.15 . . . . 0.0 112.457 173.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.81 -17.76 0.06 OUTLIER Glycine 0 N--CA 1.476 1.36 0 N-CA-C 116.385 1.314 . . . . 0.0 116.385 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -56.1 -36.78 68.54 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.1 1.45 . . . . 0.0 113.035 177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.34 -42.13 75.69 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.954 1.302 . . . . 0.0 111.766 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.34 -42.62 79.03 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.049 0.94 . . . . 0.0 111.518 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -59.63 -38.22 80.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.774 1.229 . . . . 0.0 112.311 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -74.01 -55.69 5.84 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.202 1.001 . . . . 0.0 111.924 172.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.54 -33.27 75.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.393 1.077 . . . . 0.0 113.76 -171.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.5 m -63.09 -31.17 72.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.527 -0.733 . . . . 0.0 112.719 176.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -72.56 -49.12 34.72 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.153 0.981 . . . . 0.0 110.51 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mp -60.54 -36.93 79.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.625 0.77 . . . . 0.0 112.478 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.5 p -67.97 -26.57 66.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.355 0.979 . . . . 0.0 113.448 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -86.44 -33.97 20.26 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.799 1.64 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -64.84 153.53 39.86 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.481 1.112 . . . . 0.0 111.571 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 t -76.04 160.6 29.65 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.194 0.998 . . . . 0.0 111.703 175.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' HE2' HD13 ' A' ' 32' ' ' ILE . 62.2 tttt -56.53 -40.25 74.75 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.843 -1.16 . . . . 0.0 112.353 177.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.479 HD21 HG22 ' A' ' 32' ' ' ILE . 19.3 m120 -60.77 -39.58 89.35 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.55 -0.719 . . . . 0.0 112.566 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -68.63 -38.92 80.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.181 0.993 . . . . 0.0 111.972 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.3 -47.19 87.07 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.496 0.718 . . . . 0.0 111.82 173.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 mtp -60.21 -38.17 82.5 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 175.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.39 -44.52 44.36 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.36 -39.72 92.66 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.81 1.187 . . . . 0.0 111.512 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.27 83.5 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.31 1.044 . . . . 0.0 112.558 176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -67.34 -49.98 61.83 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.249 1.02 . . . . 0.0 110.89 173.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -58.69 -46.64 86.82 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.645 0.778 . . . . 0.0 112.896 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.06 -27.99 66.99 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -76.82 -33.38 57.97 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.507 1.049 . . . . 0.0 112.212 174.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -76.67 -34.75 58.23 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.394 1.077 . . . . 0.0 112.418 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -77.69 -37.34 49.83 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -67.4 -23.92 65.61 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 121.03 -1.044 . . . . 0.0 113.02 -171.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 pp -83.21 -6.47 59.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.152 1.381 . . . . 0.0 114.59 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -120.79 -15.7 8.32 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.19 160.98 31.11 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.487 1.04 . . . . 0.0 112.499 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.327 0 C-N-CA 125.528 1.537 . . . . 0.0 113.849 177.624 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 CA-C-O 119.649 -0.528 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -61.86 149.59 89.5 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 123.7 2.933 . . . . 0.0 112.804 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.83 -11.38 53.69 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 125.227 1.394 . . . . 0.0 115.438 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 37.0 p -86.79 172.56 10.05 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.047 1.423 . . . . 0.0 112.339 170.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.04 -14.63 62.77 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.19 162.81 0.11 Allowed Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 128.474 2.71 . . . . 0.0 115.706 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -63.51 164.45 20.72 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.32 2.68 . . . . 0.0 113.883 174.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 pp -138.29 -22.43 1.03 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.568 1.321 . . . . 0.0 114.568 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 43.4 p-10 -92.93 30.69 1.54 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 125.839 1.656 . . . . 0.0 112.518 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -69.44 -11.65 61.0 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.517 1.527 . . . . 0.0 114.394 -175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.66 -31.69 66.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.219 1.008 . . . . 0.0 112.95 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.81 -34.25 72.81 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.516 1.126 . . . . 0.0 112.631 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.8 t -66.6 -34.13 77.19 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.924 0.89 . . . . 0.0 112.201 177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -71.56 -43.56 66.14 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.485 -0.759 . . . . 0.0 111.851 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.72 -33.7 63.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.31 1.044 . . . . 0.0 112.74 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.773 0.829 . . . . 0.0 113.219 170.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.64 -31.59 8.68 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 116.149 1.22 . . . . 0.0 116.149 -171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.56 171.97 10.44 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.41 167.86 9.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.081 1.353 . . . . 0.0 113.009 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.8 p-10 -63.01 -23.56 67.51 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.28 -32.56 74.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.98 0.809 . . . . 0.0 112.421 169.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -77.17 -32.42 56.16 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.217 1.007 . . . . 0.0 112.032 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.3 mt -62.65 -51.88 65.5 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.168 0.587 . . . . 0.0 110.373 169.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.34 70.86 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.705 0.802 . . . . 0.0 113.057 178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.75 66.62 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.86 -25.85 8.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -74.16 -36.22 64.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.449 1.1 . . . . 0.0 112.144 170.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.7 51.57 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.168 0.889 . . . . 0.0 113.268 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -16.85 63.99 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -83.17 1.57 39.87 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 169.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -53.71 140.59 29.03 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.94 -1.1 . . . . 0.0 111.393 172.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 tp -62.36 151.98 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -165.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -110.56 13.4 22.63 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.757 1.223 . . . . 0.0 114.023 -168.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -135.49 2.18 2.94 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.821 1.649 . . . . 0.0 114.77 -171.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.22 -179.58 53.24 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.182 1.372 . . . . 0.0 113.977 -171.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -179.9 -140.43 4.18 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.29 1.424 . . . . 0.0 112.996 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 92.24 20.62 35.06 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.045 1.307 . . . . 0.0 114.886 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 9.0 m -63.47 -26.92 68.94 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -64.31 138.23 40.89 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.835 1.207 . . . . 0.0 115.678 -168.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.31 154.14 8.92 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 125.48 1.514 . . . . 0.0 113.114 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 71.75 -9.62 4.76 Favored Glycine 0 CA--C 1.539 1.585 0 N-CA-C 117.452 1.741 . . . . 0.0 117.452 173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 8.4 t -76.79 155.42 33.11 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.683 1.742 . . . . 0.0 112.436 176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 77.67 167.29 29.05 Favored Glycine 0 CA--C 1.54 1.629 0 C-N-CA 124.527 1.06 . . . . 0.0 113.817 -172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 68.7 18.31 72.03 Favored Glycine 0 CA--C 1.54 1.638 0 O-C-N 121.856 -0.791 . . . . 0.0 115.062 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.21 165.71 48.91 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.942 1.258 . . . . 0.0 114.842 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 33.4 m -63.27 137.89 58.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.705 1.202 . . . . 0.0 113.335 -175.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.86 -24.79 63.49 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.965 1.306 . . . . 0.0 113.511 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -76.11 -2.54 31.43 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 -168.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -72.71 143.41 84.69 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 124.043 0.937 . . . . 0.0 112.762 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.74 155.94 57.82 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 123.595 2.864 . . . . 0.0 113.636 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 6.0 t -156.68 139.06 14.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.108 1.363 . . . . 0.0 110.821 171.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 34.3 t -151.46 75.6 1.18 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.056 1.742 . . . . 0.0 109.644 173.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 16.2 m 59.42 22.68 11.16 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.679 1.591 . . . . 0.0 114.323 -169.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -144.2 -176.42 5.01 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 127.177 2.191 . . . . 0.0 110.568 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.65 -26.63 3.09 Favored Glycine 0 CA--C 1.535 1.284 0 O-C-N 120.768 -1.207 . . . . 0.0 114.404 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -60.13 -41.92 93.7 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.719 1.259 . . . . 0.0 111.491 172.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -65.68 -39.97 91.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.138 1.375 . . . . 0.0 112.44 175.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -74.68 -41.73 59.72 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.435 1.094 . . . . 0.0 112.421 -177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.6 -42.74 98.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.59 1.156 . . . . 0.0 111.425 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 78.4 t80 -64.61 -49.74 69.92 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.78 1.232 . . . . 0.0 112.151 174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 67.3 tp -60.03 -41.42 92.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.106 0.963 . . . . 0.0 112.848 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 63.5 m -63.03 -43.23 99.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.343 0.657 . . . . 0.0 112.014 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 29.1 ttm105 -62.52 -50.83 69.82 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.321 1.048 . . . . 0.0 111.698 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.1 -35.43 78.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.618 0.767 . . . . 0.0 112.334 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 35.6 t -63.24 -35.5 80.53 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.588 0.755 . . . . 0.0 112.891 172.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -84.78 -32.67 23.26 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.49 154.23 25.13 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.325 1.45 . . . . 0.0 113.48 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.4 t -61.35 154.73 23.19 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.55 1.14 . . . . 0.0 111.916 172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -61.01 -30.17 70.14 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.981 -1.075 . . . . 0.0 111.817 170.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.76 -40.22 76.24 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.677 0.791 . . . . 0.0 112.911 171.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.251 1.02 . . . . 0.0 111.9 175.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.1 mt -57.97 -39.49 78.29 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.919 1.288 . . . . 0.0 112.165 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.07 -42.76 79.96 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.175 0.59 . . . . 0.0 112.584 171.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.66 -40.19 69.8 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -64.42 -38.84 92.42 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.486 1.039 . . . . 0.0 111.212 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.82 86.82 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.163 0.985 . . . . 0.0 111.854 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.79 -50.54 70.61 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.752 0.821 . . . . 0.0 110.715 174.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -61.43 -45.18 95.38 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.852 0.861 . . . . 0.0 113.053 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.98 -29.33 68.33 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.284 0.947 . . . . 0.0 113.123 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -76.51 -33.62 58.62 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.266 1.026 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -69.02 -36.75 78.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.453 1.101 . . . . 0.0 112.77 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -79.33 -36.56 39.31 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -70.7 -25.29 62.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.904 1.229 . . . . 0.0 113.511 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.58 -6.72 53.15 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -133.7 -27.15 1.52 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 52.21 -175.33 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.558 2.343 . . . . 0.0 116.174 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.221 0 C-N-CA 125.181 1.372 . . . . 0.0 113.138 -176.315 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -60.29 154.37 53.09 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 124.549 3.5 . . . . 0.0 114.299 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.88 173.18 48.23 Favored Glycine 0 CA--C 1.537 1.465 0 C-N-CA 124.067 0.841 . . . . 0.0 113.688 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -150.18 160.68 43.49 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.872 1.269 . . . . 0.0 112.507 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -76.05 -14.46 60.2 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.02 147.58 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.114 2.565 . . . . 0.0 114.34 -168.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -70.58 150.38 63.11 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.009 2.473 . . . . 0.0 112.476 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -130.36 -7.61 4.23 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -142.68 -0.5 1.19 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 t -66.77 -28.82 68.7 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.79 -1.194 . . . . 0.0 113.26 -172.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -64.31 -28.46 69.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.227 1.011 . . . . 0.0 113.653 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.81 -47.88 84.36 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 120.106 1.321 . . . . 0.0 110.479 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 m -65.8 -33.5 76.01 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.127 0.971 . . . . 0.0 112.535 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -69.39 -47.57 63.8 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.783 -0.573 . . . . 0.0 112.455 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.6 mm -67.21 -27.39 39.01 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.878 0 C-N-CA 124.983 1.313 . . . . 0.0 112.395 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.3 -43.54 85.97 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.952 -1.092 . . . . 0.0 112.446 169.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.55 -24.76 35.04 Favored Glycine 0 CA--C 1.537 1.412 0 N-CA-C 116.496 1.358 . . . . 0.0 116.496 -168.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.57 -179.91 1.88 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.066 1.346 . . . . 0.0 113.866 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.3 171.59 9.77 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.72 1.208 . . . . 0.0 112.842 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 p-10 -60.05 -25.72 65.56 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -65.26 -33.95 77.19 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.38 1.072 . . . . 0.0 112.328 172.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -73.82 -39.66 63.91 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.545 1.138 . . . . 0.0 111.762 173.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.36 -45.94 92.3 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.363 0.665 . . . . 0.0 111.054 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.98 -32.44 73.98 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.22 78.48 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.243 0.929 . . . . 0.0 113.14 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.49 -30.76 14.86 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -78.87 -35.48 43.75 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.25 1.02 . . . . 0.0 111.765 170.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.67 -127.79 37.13 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.009 0.814 . . . . 0.0 112.933 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -57.56 -27.01 62.27 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.511 1.525 . . . . 0.0 113.477 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -95.38 5.56 51.32 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 125.338 1.455 . . . . 0.0 114.044 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -60.42 137.83 58.09 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.995 -1.066 . . . . 0.0 111.861 175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG22 HD21 ' A' ' 70' ' ' ASN . 2.3 tp -58.39 137.19 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.212 0.605 . . . . 0.0 111.417 -176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.9 mmt-85 -81.52 -8.0 59.66 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -77.38 -11.9 59.89 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.967 1.307 . . . . 0.0 113.708 170.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.54 32.8 79.61 Favored Glycine 0 CA--C 1.544 1.874 0 O-C-N 121.665 -0.647 . . . . 0.0 114.32 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.09 0.39 30.94 Favored Glycine 0 CA--C 1.538 1.485 0 N-CA-C 117.646 1.818 . . . . 0.0 117.646 -168.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.78 6.34 3.75 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.662 1.601 . . . . 0.0 116.767 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -58.72 -14.08 7.65 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.981 1.712 . . . . 0.0 115.339 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.19 -16.35 68.8 Favored Glycine 0 CA--C 1.541 1.683 0 O-C-N 121.326 -0.859 . . . . 0.0 114.333 171.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 121.97 27.46 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 119.082 1.441 . . . . 0.0 111.986 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.12 -1.45 48.53 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.189 1.376 . . . . 0.0 115.364 -176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 t -91.68 148.3 22.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.821 1.31 . . . . 0.0 111.674 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 63.8 31.77 81.93 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 123.932 0.777 . . . . 0.0 114.839 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.44 -26.85 70.85 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.471 1.034 . . . . 0.0 114.788 -176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -76.04 139.73 24.67 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.475 1.036 . . . . 0.0 111.612 171.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -154.7 158.58 39.81 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.517 1.127 . . . . 0.0 112.682 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 24.5 ptp -68.17 154.54 41.5 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.784 1.634 . . . . 0.0 113.568 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -77.67 147.72 35.36 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.676 0.79 . . . . 0.0 111.607 167.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -154.8 156.35 31.31 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 125.344 1.458 . . . . 0.0 112.265 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.09 155.61 68.91 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 123.168 2.579 . . . . 0.0 112.913 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.3 p -81.41 156.81 25.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.281 1.433 . . . . 0.0 112.431 173.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.2 t -152.52 138.54 18.18 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.97 1.308 . . . . 0.0 111.798 174.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.4 m -66.21 -24.63 66.65 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 175.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -85.44 -12.58 51.62 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.793 1.237 . . . . 0.0 113.255 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -69.41 -2.71 35.72 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.763 1.649 . . . . 0.0 116.06 -171.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' CZ2' ' HE2' ' A' ' 57' ' ' LYS . 42.3 p-90 -59.15 -26.98 65.23 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.766 1.283 . . . . 0.0 113.37 178.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE2' ' CZ2' ' A' ' 56' ' ' TRP . 14.8 ptpt -84.76 -45.93 11.9 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.095 1.358 . . . . 0.0 112.358 175.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.74 -49.06 50.83 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.414 1.086 . . . . 0.0 112.477 -174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -70.64 -27.93 64.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.265 0.626 . . . . 0.0 112.256 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -74.0 -55.37 6.23 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.518 1.127 . . . . 0.0 111.184 173.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.98 -34.39 77.44 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.233 0.613 . . . . 0.0 112.239 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.92 0.888 . . . . 0.0 112.298 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.6 mtm180 -64.85 -42.81 94.58 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.062 -1.024 . . . . 0.0 112.109 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.2 -28.8 69.93 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 118.7 0.682 . . . . 0.0 112.385 175.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 p -71.94 -28.94 63.79 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.549 1.068 . . . . 0.0 113.795 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtp-105 -74.09 -44.88 52.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.664 1.186 . . . . 0.0 112.44 173.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.02 148.41 51.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.027 1.331 . . . . 0.0 112.739 -172.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p -72.97 169.8 16.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.481 1.113 . . . . 0.0 113.66 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -47.94 -51.4 23.68 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.872 1.669 . . . . 0.0 112.364 171.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.425 HD21 HG22 ' A' ' 32' ' ' ILE . 12.8 m120 -66.71 -39.81 88.21 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.388 1.075 . . . . 0.0 111.985 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.83 -40.11 87.89 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.452 0.701 . . . . 0.0 112.661 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.8 mt -59.93 -45.44 92.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.526 1.13 . . . . 0.0 112.092 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 mtp -62.72 -40.24 96.57 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.026 0.53 . . . . 0.0 112.42 172.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -49.26 61.98 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.22 -38.08 89.29 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.182 -0.949 . . . . 0.0 111.387 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -42.09 92.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.208 1.003 . . . . 0.0 112.11 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.86 -47.28 84.04 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.145 0.578 . . . . 0.0 111.371 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -60.83 -45.84 92.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.005 0.922 . . . . 0.0 113.106 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.97 -25.94 62.94 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.112 0.869 . . . . 0.0 113.311 177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -71.15 -37.03 72.25 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.242 0.928 . . . . 0.0 112.359 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -67.79 -38.0 82.76 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.468 1.107 . . . . 0.0 112.878 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -78.99 -38.29 37.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.607 0.763 . . . . 0.0 112.729 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -69.65 -24.27 63.6 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.121 -0.987 . . . . 0.0 113.186 -170.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.24 -7.28 58.92 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -128.12 -11.66 5.26 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.12 159.21 31.42 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.908 1.231 . . . . 0.0 111.881 171.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.305 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.755 -179.521 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -74.01 -16.77 22.74 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.902 3.068 . . . . 0.0 114.891 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 66.34 -146.15 48.42 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 113.426 -176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 45.9 m -84.68 6.03 25.81 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 61.81 -42.36 0.15 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 129.288 3.035 . . . . 0.0 117.189 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.61 147.07 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.218 0 C-N-CA 128.862 2.865 . . . . 0.0 114.884 -170.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.9 143.16 54.06 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.073 2.516 . . . . 0.0 113.119 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.07 -11.56 0.19 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.056 1.342 . . . . 0.0 114.372 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -144.36 30.0 1.27 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.394 1.878 . . . . 0.0 112.563 -174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.2 p -67.14 163.14 20.85 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.7 1.6 . . . . 0.0 112.346 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 41.4 mp0 -62.66 -17.54 60.67 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.983 1.313 . . . . 0.0 113.438 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.63 -56.16 3.54 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.218 1.007 . . . . 0.0 111.378 168.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 83.5 p -69.35 -27.47 65.37 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -171.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.69 -43.78 71.77 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.076 -1.015 . . . . 0.0 111.492 172.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.403 HD13 HD21 ' B' ' 118' ' ' LEU . 37.9 mm -66.64 -31.19 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.255 1.422 . . . . 0.0 112.105 177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -69.76 -28.78 66.06 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.271 1.028 . . . . 0.0 113.382 170.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -87.27 -32.38 14.11 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.483 1.04 . . . . 0.0 115.646 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.403 HD21 HD13 ' B' ' 115' ' ' ILE . 2.2 pp -75.05 -179.05 4.1 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.784 1.634 . . . . 0.0 113.732 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.65 175.8 8.51 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.022 1.329 . . . . 0.0 113.089 179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -61.16 -25.51 67.06 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -174.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -65.95 -34.52 78.29 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.087 0.955 . . . . 0.0 112.168 172.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -75.89 -37.93 58.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.256 1.022 . . . . 0.0 111.863 174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.73 -47.01 85.45 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.64 -0.662 . . . . 0.0 111.517 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.84 76.69 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.8 -29.06 68.91 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.24 -29.44 11.28 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.7 -38.84 58.26 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.315 1.046 . . . . 0.0 111.923 170.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.74 -124.82 37.41 Favored Glycine 0 N--CA 1.473 1.157 0 C-N-CA 124.165 0.888 . . . . 0.0 112.816 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -60.03 -26.43 66.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.919 1.288 . . . . 0.0 113.658 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -87.82 1.95 52.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.812 1.245 . . . . 0.0 113.863 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.74 146.02 43.01 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 121.277 -0.889 . . . . 0.0 112.6 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.432 HG22 HD21 ' B' ' 170' ' ' ASN . 5.7 tp -59.33 140.58 17.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 121.496 -0.753 . . . . 0.0 112.483 -172.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 56.5 mmt-85 -94.77 0.36 54.87 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -73.25 159.89 32.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.901 1.28 . . . . 0.0 113.077 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -72.15 -7.79 68.1 Favored Glycine 0 CA--C 1.541 1.67 0 N-CA-C 115.789 1.076 . . . . 0.0 115.789 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -173.06 157.32 26.27 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 125.341 1.448 . . . . 0.0 112.5 175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -79.58 156.1 40.37 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.472 1.034 . . . . 0.0 113.858 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 96.9 p -79.16 176.53 9.58 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.633 1.573 . . . . 0.0 112.751 173.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -179.1 172.28 44.39 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 124.757 1.17 . . . . 0.0 113.342 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -69.45 145.14 41.88 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.105 0.86 . . . . 0.0 113.559 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -78.6 -22.35 67.2 Favored Glycine 0 CA--C 1.538 1.47 0 N-CA-C 115.571 0.988 . . . . 0.0 115.571 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 56.0 m -146.29 150.81 36.47 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.348 1.459 . . . . 0.0 112.257 -174.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -80.02 -17.05 75.5 Favored Glycine 0 CA--C 1.544 1.871 0 C-N-CA 124.087 0.851 . . . . 0.0 114.674 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 172.69 -171.27 44.25 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.481 1.515 . . . . 0.0 112.167 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -178.71 165.28 34.29 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 123.769 0.7 . . . . 0.0 114.615 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -88.53 11.53 16.93 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.243 1.817 . . . . 0.0 114.033 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.85 153.67 20.28 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.435 1.494 . . . . 0.0 113.896 -176.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -81.99 136.54 35.25 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.76 1.224 . . . . 0.0 112.195 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -72.5 145.09 87.22 Favored Pre-proline 0 CA--C 1.543 0.703 0 C-N-CA 124.717 1.207 . . . . 0.0 112.234 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -69.3 167.41 23.93 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 123.071 2.514 . . . . 0.0 112.554 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 41.5 p -65.86 162.6 18.63 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.917 1.287 . . . . 0.0 112.958 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 16.9 p 61.42 21.91 12.41 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.072 2.149 . . . . 0.0 116.218 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 52.3 p -56.32 140.07 46.28 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.416 1.086 . . . . 0.0 112.098 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -144.8 -2.48 0.83 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 89.92 -51.47 3.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 126.376 1.941 . . . . 0.0 114.163 171.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -64.86 -44.78 88.59 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 118.587 1.193 . . . . 0.0 112.519 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -73.82 -39.55 63.98 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.751 1.22 . . . . 0.0 112.123 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.95 -51.71 68.12 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.785 1.234 . . . . 0.0 111.942 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.85 -50.91 64.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.536 0.734 . . . . 0.0 111.417 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -59.45 -48.52 81.31 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.551 0.74 . . . . 0.0 112.439 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.289 -0.882 . . . . 0.0 112.415 177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 49.5 m -69.42 -19.54 63.8 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -79.16 -53.23 7.19 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.194 1.398 . . . . 0.0 110.533 170.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.66 -26.83 68.55 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.283 1.033 . . . . 0.0 113.242 -177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 84.8 p -65.3 -28.46 69.33 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.648 -1.283 . . . . 0.0 113.195 171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -80.92 -42.99 20.49 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.884 1.273 . . . . 0.0 113.688 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.47 148.21 52.11 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.654 1.581 . . . . 0.0 112.405 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 57.0 p -69.59 162.38 27.71 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.373 1.069 . . . . 0.0 112.781 175.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.15 -35.83 65.15 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.209 -0.932 . . . . 0.0 112.917 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.432 HD21 HG22 ' B' ' 132' ' ' ILE . 10.2 m120 -66.06 -44.67 83.87 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.052 0.941 . . . . 0.0 111.865 173.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.25 -38.36 87.69 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.786 0.834 . . . . 0.0 112.843 174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.43 -44.32 95.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.015 1.326 . . . . 0.0 111.691 174.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 62.5 mtm -61.38 -43.46 98.83 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 170.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.03 -48.34 68.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -63.3 -40.57 97.71 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.335 0.97 . . . . 0.0 111.824 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.76 93.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.578 1.151 . . . . 0.0 112.84 177.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.99 -46.53 71.04 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.516 0.727 . . . . 0.0 110.784 176.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -58.96 -49.93 76.0 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.737 0.815 . . . . 0.0 112.534 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.56 -27.25 66.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -74.95 -43.37 54.49 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.087 0.955 . . . . 0.0 112.037 172.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -65.53 -38.21 88.98 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.841 0.856 . . . . 0.0 112.012 -175.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -78.33 -31.16 48.57 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -76.11 -31.0 58.45 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.951 1.251 . . . . 0.0 113.326 -175.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.6 pp -77.71 -19.1 55.83 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -177.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -97.1 -20.96 17.63 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -87.24 155.9 19.88 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.415 1.086 . . . . 0.0 112.731 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.239 0 C-N-CA 125.339 1.447 . . . . 0.0 114.028 177.747 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 CA-C-O 119.559 -0.578 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.38 160.18 24.5 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 124.225 3.284 . . . . 0.0 114.065 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.05 105.46 1.63 Allowed Glycine 0 CA--C 1.536 1.373 0 C-N-CA 123.698 0.666 . . . . 0.0 111.721 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.5 t 62.27 161.33 0.08 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.329 1.852 . . . . 0.0 114.583 -168.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -126.08 -4.7 6.82 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.305 1.842 . . . . 0.0 113.513 -175.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.38 147.76 94.61 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 125.631 1.572 . . . . 0.0 113.371 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.63 145.29 63.34 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.752 2.968 . . . . 0.0 113.918 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -111.52 -2.84 15.35 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.809 1.644 . . . . 0.0 113.063 165.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -106.7 27.45 8.86 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 127.19 2.196 . . . . 0.0 112.481 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -59.29 158.27 9.47 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.044 1.338 . . . . 0.0 113.776 -176.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mp0 -58.5 -33.17 69.53 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.729 1.212 . . . . 0.0 112.472 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.14 -44.67 91.48 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.231 1.012 . . . . 0.0 111.152 177.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.7 p -65.13 -31.75 73.11 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.7 -53.07 9.94 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.617 1.167 . . . . 0.0 112.007 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -63.57 -32.75 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.159 1.384 . . . . 0.0 113.375 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -72.11 -19.88 61.73 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.036 -1.04 . . . . 0.0 113.539 171.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.4 -28.28 20.22 Favored Glycine 0 CA--C 1.542 1.721 0 C-N-CA 124.864 1.221 . . . . 0.0 115.083 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.1 pp -95.99 175.05 6.63 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.742 1.617 . . . . 0.0 113.777 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.42 175.23 8.02 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.192 1.397 . . . . 0.0 113.512 -169.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -55.66 -32.06 62.89 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 114.322 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -62.95 -37.36 86.76 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.568 1.147 . . . . 0.0 112.572 175.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -78.07 -39.04 42.93 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.893 1.277 . . . . 0.0 111.987 174.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.03 -46.69 88.05 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.57 0.748 . . . . 0.0 111.625 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.47 78.06 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.86 -41.78 77.96 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.78 -29.76 45.21 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -178.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.2 -53.55 9.59 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.05 0.841 . . . . 0.0 111.757 169.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.62 100.68 0.06 OUTLIER Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.297 1.427 . . . . 0.0 114.039 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? 62.5 -35.63 0.12 Allowed 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 128.667 2.787 . . . . 0.0 117.17 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.05 -2.78 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.907 1.683 . . . . 0.0 113.787 177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -58.76 152.6 18.64 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.155 2.182 . . . . 0.0 112.982 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.515 HG22 HD21 ' A' ' 70' ' ' ASN . 3.1 tp -64.52 154.55 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.376 -173.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -97.31 -15.14 20.9 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -82.62 173.97 11.45 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.565 1.546 . . . . 0.0 111.854 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.75 141.6 40.49 Favored Glycine 0 CA--C 1.535 1.34 0 O-C-N 121.536 -0.727 . . . . 0.0 111.308 165.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -171.75 44.18 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 117.435 0.617 . . . . 0.0 114.506 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.2 159.33 22.61 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 125.085 1.326 . . . . 0.0 113.772 -171.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.2 t 62.52 153.4 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.678 1.991 . . . . 0.0 114.659 -169.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.36 167.96 11.13 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.772 1.653 . . . . 0.0 112.509 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.42 153.06 16.88 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.884 0.754 . . . . 0.0 114.335 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.19 -177.25 33.17 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.483 1.04 . . . . 0.0 113.899 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.3 m -77.6 -12.43 59.96 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.104 1.361 . . . . 0.0 114.58 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.61 154.91 53.4 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.741 1.163 . . . . 0.0 114.373 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.43 171.21 54.86 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.352 1.453 . . . . 0.0 114.267 176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -20.24 77.98 Favored Glycine 0 CA--C 1.543 1.8 0 C-N-CA 124.21 0.909 . . . . 0.0 115.045 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.9 p -102.97 2.98 35.78 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.808 1.643 . . . . 0.0 113.869 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mtp -100.77 148.46 24.89 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.715 1.206 . . . . 0.0 112.126 -171.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -137.05 116.09 12.41 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 129.16 2.984 . . . . 0.0 111.168 6.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -66.87 157.04 85.61 Favored Pre-proline 0 N--CA 1.481 1.103 0 C-N-CA 125.594 1.557 . . . . 0.0 112.649 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.92 141.03 93.39 Favored 'Trans proline' 0 CA--C 1.543 0.949 0 C-N-CA 123.154 2.569 . . . . 0.0 112.321 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.5 p -145.68 166.74 24.94 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.961 1.705 . . . . 0.0 112.034 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.0 p -69.56 -37.33 76.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.079 0.952 . . . . 0.0 112.309 173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -72.54 154.63 40.71 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.979 1.312 . . . . 0.0 112.041 168.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -70.86 -3.92 21.6 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.51 41.95 Favored Glycine 0 CA--C 1.541 1.677 0 O-C-N 120.947 -1.096 . . . . 0.0 115.058 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 39.2 p-90 -66.5 -33.62 76.1 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.574 1.187 . . . . 0.0 113.876 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -86.06 -42.14 14.21 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -63.52 -49.43 73.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.698 0.799 . . . . 0.0 112.387 -175.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -68.34 -42.52 79.18 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.318 0.647 . . . . 0.0 112.271 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.56 -46.31 83.36 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.194 0.998 . . . . 0.0 112.029 178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.8 tp -63.72 -40.96 98.04 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.657 0.783 . . . . 0.0 112.086 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.3 t -60.56 -45.02 95.46 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.24 1.016 . . . . 0.0 112.404 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -64.32 -51.84 61.46 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.519 1.528 . . . . 0.0 111.112 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.95 -28.39 69.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.945 0.898 . . . . 0.0 113.113 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -65.27 -30.26 71.12 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.059 -1.026 . . . . 0.0 113.223 169.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.0 mtt85 -93.81 -21.19 19.44 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mp -72.49 151.57 42.43 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.253 1.021 . . . . 0.0 111.688 171.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.7 t -66.7 160.18 26.19 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.228 1.011 . . . . 0.0 112.673 174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.479 ' HE2' HD13 ' A' ' 32' ' ' ILE . 73.1 tttt -57.44 -36.8 71.85 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.672 -1.267 . . . . 0.0 112.4 171.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.515 HD21 HG22 ' A' ' 32' ' ' ILE . 33.2 m120 -63.86 -42.48 97.52 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.472 -0.767 . . . . 0.0 112.678 174.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.67 -40.63 88.66 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.994 0.918 . . . . 0.0 112.231 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.0 mt -57.62 -48.57 79.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.946 1.298 . . . . 0.0 111.757 174.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 72.9 mtm -62.62 -40.52 97.24 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 175.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.77 -46.05 63.62 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.97 -38.47 91.19 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.312 0.96 . . . . 0.0 111.175 177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.53 -48.32 78.01 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.375 1.07 . . . . 0.0 111.806 175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -61.96 -45.12 95.06 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.405 -0.809 . . . . 0.0 111.262 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.71 -47.91 83.15 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.471 0.708 . . . . 0.0 112.806 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.44 -26.26 64.51 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.954 0.797 . . . . 0.0 112.652 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -74.32 -32.16 62.73 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.766 1.226 . . . . 0.0 112.878 172.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -73.37 -38.55 65.65 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.409 1.084 . . . . 0.0 113.017 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -80.69 -27.06 37.14 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -72.94 -32.2 65.11 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 119.228 0.922 . . . . 0.0 113.228 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.8 pp -76.67 -11.4 59.84 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -173.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -101.45 3.64 40.54 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.844 1.258 . . . . 0.0 113.626 175.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -69.0 153.3 44.03 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.901 0.881 . . . . 0.0 112.926 178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.458 0 C-N-CA 125.378 1.466 . . . . 0.0 113.013 179.781 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 CA-C-O 119.664 -0.52 . . . . 0.0 112.014 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -57.73 152.28 50.27 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.309 3.339 . . . . 0.0 114.037 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.65 12.01 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.14 0.876 . . . . 0.0 113.124 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 20.2 m 59.33 31.66 21.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.77 1.628 . . . . 0.0 114.653 178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -70.61 -18.99 62.88 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.837 1.255 . . . . 0.0 114.215 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.71 159.89 0.12 Allowed Pre-proline 0 CA--C 1.558 1.276 0 C-N-CA 128.213 2.605 . . . . 0.0 115.117 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -62.54 162.82 23.02 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 123.195 2.597 . . . . 0.0 114.504 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -76.96 -22.99 52.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.038 0.935 . . . . 0.0 112.488 167.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.46 17.01 12.18 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.056 1.742 . . . . 0.0 113.829 -173.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 67.2 p -64.1 152.81 39.45 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.551 -1.343 . . . . 0.0 112.947 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -61.85 -35.16 77.46 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.744 1.217 . . . . 0.0 113.31 -170.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -66.46 -49.46 66.57 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.939 0.896 . . . . 0.0 110.991 177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 48.9 m -67.71 -29.87 69.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.97 0.908 . . . . 0.0 112.829 177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -65.52 -52.93 48.97 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.579 1.152 . . . . 0.0 111.911 171.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.52 -30.02 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 0.0 112.739 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -71.84 -24.24 61.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.545 1.138 . . . . 0.0 113.476 171.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -85.22 -14.97 67.77 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.566 1.079 . . . . 0.0 115.371 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.4 175.52 5.4 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.734 2.014 . . . . 0.0 112.936 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.31 178.51 6.2 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.632 1.173 . . . . 0.0 113.514 -174.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -58.18 -29.49 65.67 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 -173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -65.22 -35.06 79.88 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.31 1.044 . . . . 0.0 112.385 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -78.04 -33.22 51.13 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.7 1.2 . . . . 0.0 112.287 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.01 -46.75 73.56 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.291 0.636 . . . . 0.0 111.105 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.34 67.89 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.186 0.994 . . . . 0.0 113.051 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.93 -16.83 64.25 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.39 -26.07 5.08 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.2 mp -74.26 -35.29 63.77 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.672 1.189 . . . . 0.0 112.228 170.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.72 -126.02 40.99 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.344 0.973 . . . . 0.0 113.211 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -61.66 -22.6 65.44 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.08 1.352 . . . . 0.0 113.723 177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -89.86 3.32 53.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.018 1.327 . . . . 0.0 113.73 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -63.33 141.34 58.8 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.177 -0.952 . . . . 0.0 111.592 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 3.0 tp -64.54 140.92 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 123.778 0.831 . . . . 0.0 112.602 -172.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -87.04 -4.02 59.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.53 -5.99 52.03 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.886 1.274 . . . . 0.0 113.048 167.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.89 -27.4 3.02 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.518 1.533 . . . . 0.0 114.45 -173.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 179.15 135.56 2.41 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.741 1.639 . . . . 0.0 111.004 172.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -88.8 88.47 1.53 Allowed Glycine 0 CA--C 1.53 1.012 0 CA-C-N 117.849 0.824 . . . . 0.0 113.015 179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 89.1 p -72.53 161.5 30.71 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.864 1.666 . . . . 0.0 113.693 177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 171.11 -162.44 35.26 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.42 1.486 . . . . 0.0 113.259 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 75.4 33.88 51.95 Favored Glycine 0 CA--C 1.539 1.547 0 N-CA-C 115.014 0.766 . . . . 0.0 115.014 170.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -69.79 -172.22 9.56 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.06 1.315 . . . . 0.0 114.633 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.8 t -63.78 134.96 56.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.769 0.828 . . . . 0.0 112.227 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 173.68 -168.51 41.42 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.809 1.195 . . . . 0.0 113.641 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.91 164.21 49.77 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.15 0.881 . . . . 0.0 113.939 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 176.74 177.87 46.04 Favored Glycine 0 CA--C 1.533 1.179 0 O-C-N 121.629 -0.924 . . . . 0.0 113.296 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 24.1 t -67.76 146.63 53.55 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.906 0.882 . . . . 0.0 112.699 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 6.0 tpt -151.99 -57.95 0.15 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.063 1.345 . . . . 0.0 111.695 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -71.36 150.68 44.83 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.965 0.906 . . . . 0.0 111.461 170.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -59.08 144.65 82.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.492 1.117 . . . . 0.0 112.93 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.65 158.72 55.91 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.255 2.637 . . . . 0.0 113.535 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 66.0 p -80.73 7.42 10.32 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 126.006 1.722 . . . . 0.0 113.789 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 85.2 p -139.98 170.43 15.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.423 1.889 . . . . 0.0 112.132 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 81.1 p -76.06 -3.21 34.64 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -68.25 156.25 38.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 122.274 1.035 . . . . 0.0 113.646 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -160.72 -33.67 0.02 OUTLIER Glycine 0 CA--C 1.534 1.271 0 C-N-CA 125.857 1.694 . . . . 0.0 112.792 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -51.3 -39.95 57.96 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.669 1.588 . . . . 0.0 112.08 164.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -64.08 -50.44 68.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.598 1.959 . . . . 0.0 112.148 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -64.15 -45.42 88.55 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.234 1.014 . . . . 0.0 111.557 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -62.16 -49.8 74.38 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.679 0.792 . . . . 0.0 111.953 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -61.8 -52.69 63.18 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.13 0.972 . . . . 0.0 111.571 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 55.4 tp -64.59 -39.21 93.32 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.014 0.824 . . . . 0.0 112.497 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 19.2 t -67.01 -35.89 80.92 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.529 0.604 . . . . 0.0 112.612 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -67.06 -50.09 62.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.238 0.926 . . . . 0.0 111.39 169.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -57.1 -34.02 67.91 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 51.9 p -67.3 -29.93 69.65 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.349 0.977 . . . . 0.0 113.606 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 25.2 mtt180 -78.6 -32.56 47.62 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.674 1.59 . . . . 0.0 112.617 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.05 147.11 53.61 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.025 1.33 . . . . 0.0 112.647 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.7 t -64.35 159.55 20.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.868 1.267 . . . . 0.0 112.025 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -43.26 -49.94 6.62 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.733 1.613 . . . . 0.0 111.578 165.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.03 -36.59 83.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.766 1.226 . . . . 0.0 112.126 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -70.53 -37.56 74.12 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.589 1.155 . . . . 0.0 112.555 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.8 mt -62.28 -40.69 97.1 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.678 1.191 . . . . 0.0 112.046 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.99 -42.13 97.3 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 118.862 0.755 . . . . 0.0 112.172 170.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.9 68.84 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -174.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.3 -38.71 91.05 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.401 1.001 . . . . 0.0 111.764 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.18 91.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.251 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.48 -48.18 82.89 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.968 0.907 . . . . 0.0 110.933 174.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -63.61 -45.23 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.8 pp -68.13 -23.82 64.94 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.674 1.125 . . . . 0.0 112.987 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -77.4 -39.39 47.34 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.574 1.15 . . . . 0.0 112.473 170.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -67.28 -34.92 78.42 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.008 0.923 . . . . 0.0 112.793 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -82.51 -24.2 34.24 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -80.5 -32.16 37.05 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.099 1.318 . . . . 0.0 113.131 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.5 -21.29 62.77 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.82 -6.63 54.02 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.614 1.166 . . . . 0.0 114.042 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.38 143.4 50.2 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.335 -0.853 . . . . 0.0 112.195 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.237 0 C-N-CA 125.918 1.723 . . . . 0.0 112.915 177.049 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 CA-C-O 119.568 -0.574 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.48 -24.43 30.98 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.487 2.791 . . . . 0.0 113.528 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.99 37.86 1.74 Allowed Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.929 1.728 . . . . 0.0 114.471 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.1 t -61.92 144.85 54.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.97 1.308 . . . . 0.0 113.071 -177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -73.68 -15.43 61.24 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.304 1.441 . . . . 0.0 113.747 175.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.67 161.35 0.12 Allowed Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 127.828 2.451 . . . . 0.0 114.578 -170.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -61.83 157.69 41.74 Favored 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 123.484 2.789 . . . . 0.0 114.303 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.59 -23.81 1.81 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.106 1.362 . . . . 0.0 113.626 173.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -88.1 44.72 1.22 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.553 1.541 . . . . 0.0 111.623 172.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.2 p -67.03 162.28 22.5 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.309 1.443 . . . . 0.0 112.537 -176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.53 -22.91 67.15 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.854 -1.154 . . . . 0.0 113.319 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.65 -36.85 79.7 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.587 1.085 . . . . 0.0 111.893 172.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.9 t -74.68 -40.27 61.5 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.995 0.918 . . . . 0.0 112.296 174.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -63.03 -44.7 95.19 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.057 0.943 . . . . 0.0 112.792 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.408 HD13 HD21 ' A' ' 18' ' ' LEU . 23.9 mm -66.82 -27.73 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.092 1.357 . . . . 0.0 113.022 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.99 -27.64 57.52 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 120.764 -1.21 . . . . 0.0 113.494 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.33 -34.88 24.89 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.472 1.034 . . . . 0.0 115.042 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 15' ' ' ILE . 2.9 pp -74.65 179.36 4.79 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.742 1.617 . . . . 0.0 113.422 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 173.88 9.67 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.676 1.19 . . . . 0.0 113.106 178.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.71 -29.16 64.48 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -172.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -66.64 -31.3 71.89 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.804 0.842 . . . . 0.0 112.645 173.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -78.35 -34.25 48.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.58 1.152 . . . . 0.0 112.029 174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.95 -49.19 77.12 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.226 0.61 . . . . 0.0 110.394 171.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.39 70.17 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 175.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.02 -17.47 63.91 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.08 -25.96 5.22 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mp -73.4 -35.51 65.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.281 1.032 . . . . 0.0 111.398 166.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.33 -129.16 47.1 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.572 1.082 . . . . 0.0 112.913 176.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -59.97 -25.02 64.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.059 1.344 . . . . 0.0 113.505 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -86.22 1.04 52.26 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.145 1.378 . . . . 0.0 114.296 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.55 141.98 55.93 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 121.224 -0.923 . . . . 0.0 111.619 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.464 HG22 HD21 ' A' ' 70' ' ' ASN . 2.6 tp -61.88 138.99 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 123.802 0.841 . . . . 0.0 112.056 -171.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.4 mmm-85 -85.6 -5.75 59.24 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -74.73 -15.84 60.76 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.41 1.884 . . . . 0.0 112.422 169.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.58 178.63 50.29 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.575 1.559 . . . . 0.0 113.532 -172.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.46 133.01 35.58 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 122.013 -0.698 . . . . 0.0 112.869 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.13 -169.39 42.17 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 125.013 1.292 . . . . 0.0 113.315 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 p 61.09 176.59 0.11 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 127.468 2.307 . . . . 0.0 114.958 -175.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.66 177.42 51.76 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.561 1.077 . . . . 0.0 114.474 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 164.03 -139.27 5.76 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.463 1.03 . . . . 0.0 113.375 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.66 48.97 9.49 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 124.028 0.823 . . . . 0.0 113.738 176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 m -77.81 -7.05 56.09 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.382 1.473 . . . . 0.0 113.728 172.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -155.29 177.06 32.69 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.037 1.779 . . . . 0.0 112.96 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.65 10.63 84.77 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.514 1.054 . . . . 0.0 115.318 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.91 -24.69 71.65 Favored Glycine 0 CA--C 1.537 1.468 0 O-C-N 121.219 -1.165 . . . . 0.0 114.499 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.1 t -59.45 -36.29 75.66 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.854 1.262 . . . . 0.0 113.42 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -78.47 -4.31 47.84 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.869 1.268 . . . . 0.0 113.588 175.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -133.21 13.59 4.22 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.928 1.691 . . . . 0.0 113.999 -168.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.28 147.14 95.42 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.602 1.161 . . . . 0.0 112.256 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.43 154.49 73.65 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.34 2.693 . . . . 0.0 112.037 172.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -153.92 157.37 39.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.482 1.113 . . . . 0.0 112.151 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -71.09 145.11 50.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.484 1.514 . . . . 0.0 112.081 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 25.5 m -71.6 163.67 27.31 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 128.953 2.901 . . . . 0.0 114.102 -1.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 64.72 -78.03 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.08 2.152 . . . . 0.0 114.497 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.46 -40.17 1.29 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.897 1.713 . . . . 0.0 114.273 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 -57.23 -35.23 69.43 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.75 1.22 . . . . 0.0 113.028 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -68.23 -41.11 81.69 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.448 1.099 . . . . 0.0 112.996 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -69.41 -43.34 73.63 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.451 0.7 . . . . 0.0 111.796 172.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.41 -39.85 95.62 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.498 1.119 . . . . 0.0 112.493 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -72.4 -54.6 8.91 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.587 1.155 . . . . 0.0 112.288 174.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.3 tp -64.33 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -173.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 38.3 t -58.14 -45.76 86.79 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.758 0.823 . . . . 0.0 112.445 173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -63.86 -42.98 97.43 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.382 -0.823 . . . . 0.0 111.685 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.84 -25.96 67.45 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.2 t -74.26 -35.51 63.79 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 121.206 -0.934 . . . . 0.0 113.147 169.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -73.29 -38.57 65.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.158 1.383 . . . . 0.0 114.571 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -71.84 157.41 37.93 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.01 1.324 . . . . 0.0 113.804 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.3 t -65.8 158.13 28.54 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.679 1.592 . . . . 0.0 112.818 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -59.17 -36.56 75.52 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 120.983 -1.073 . . . . 0.0 113.026 170.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.464 HD21 HG22 ' A' ' 32' ' ' ILE . 9.6 m120 -65.43 -40.23 93.08 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.456 -0.778 . . . . 0.0 112.224 173.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -67.78 -37.33 81.9 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.909 0.883 . . . . 0.0 112.597 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.3 mt -61.01 -44.72 97.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.453 1.101 . . . . 0.0 112.109 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 54.3 mtm -59.57 -43.51 93.58 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.323 0.511 . . . . 0.0 112.088 171.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.78 -45.86 63.94 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -63.34 -38.21 90.25 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.459 1.027 . . . . 0.0 111.332 177.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.25 86.0 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.627 1.171 . . . . 0.0 112.093 176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.3 -43.72 93.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.217 -0.927 . . . . 0.0 111.368 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -59.25 -51.08 71.52 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.945 0.898 . . . . 0.0 112.723 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.84 -26.75 66.2 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.012 0.824 . . . . 0.0 112.988 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.62 -35.09 58.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.678 1.191 . . . . 0.0 112.841 175.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -73.19 -35.16 66.33 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.056 0.942 . . . . 0.0 113.058 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -79.08 -36.4 40.87 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -65.68 -26.28 67.71 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.309 0.959 . . . . 0.0 113.4 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.0 pp -82.7 -5.19 58.74 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.173 1.389 . . . . 0.0 114.229 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -128.25 -22.46 3.41 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 149.4 49.02 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.727 1.149 . . . . 0.0 113.026 175.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.282 0 C-N-CA 125.239 1.399 . . . . 0.0 112.834 179.075 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 CA-C-O 119.433 -0.648 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -68.24 155.61 68.72 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.77 2.98 . . . . 0.0 112.613 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.72 3.77 72.98 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 125.012 1.292 . . . . 0.0 115.411 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 39.3 t -151.15 155.47 38.96 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.47 1.508 . . . . 0.0 112.645 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -71.94 -18.33 62.02 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.066 1.346 . . . . 0.0 113.397 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.01 144.69 93.8 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 125.05 1.34 . . . . 0.0 112.769 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -67.61 146.63 74.21 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.063 2.508 . . . . 0.0 112.939 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.91 -14.04 0.54 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -146.33 28.71 1.08 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.357 1.463 . . . . 0.0 112.589 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 67.0 p -76.03 169.68 17.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.15 1.38 . . . . 0.0 113.432 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -59.89 -31.25 69.63 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.52 1.528 . . . . 0.0 112.955 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -47.86 84.49 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.102 0.961 . . . . 0.0 110.67 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 49.2 m -62.44 -30.77 71.47 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -75.01 -53.83 8.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.832 0.853 . . . . 0.0 111.874 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.4 mm -65.76 -30.88 51.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.727 1.611 . . . . 0.0 113.043 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -75.83 -22.86 55.86 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -83.45 -36.8 13.33 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.915 1.245 . . . . 0.0 114.362 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -80.62 -178.14 6.6 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.891 1.276 . . . . 0.0 113.208 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.93 177.86 7.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.873 1.669 . . . . 0.0 112.679 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -56.01 -28.39 57.09 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.865 1.666 . . . . 0.0 114.434 -175.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -62.07 -38.49 88.98 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.121 0.968 . . . . 0.0 112.414 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -82.13 -34.49 29.17 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.1 0.96 . . . . 0.0 112.719 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.98 -47.93 84.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.21 0.459 . . . . 0.0 111.249 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.73 -34.13 77.18 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.348 -0.845 . . . . 0.0 112.992 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.9 88.19 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.96 -29.33 16.69 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.3 mp -75.99 -37.52 58.4 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.209 1.004 . . . . 0.0 112.403 171.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.44 -128.22 45.15 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.065 0.84 . . . . 0.0 112.848 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -62.13 -19.35 62.92 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -83.67 -3.93 58.17 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -58.09 143.74 42.58 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.84 0.856 . . . . 0.0 111.899 175.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.475 HG22 HD21 ' B' ' 170' ' ' ASN . 7.7 tp -62.48 148.86 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.461 1.105 . . . . 0.0 113.672 -167.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.53 40.45 1.26 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.516 1.527 . . . . 0.0 111.998 177.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -137.8 157.2 46.93 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.916 1.686 . . . . 0.0 112.155 -174.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -71.66 166.49 53.05 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.773 1.178 . . . . 0.0 114.275 175.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 160.35 -18.16 0.22 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 115.546 0.978 . . . . 0.0 115.546 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 75.14 -168.69 54.79 Favored Glycine 0 CA--C 1.536 1.374 0 CA-C-N 118.242 1.021 . . . . 0.0 114.351 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 79.8 p -75.05 166.32 23.85 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.955 1.302 . . . . 0.0 113.857 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.77 -160.22 44.83 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.088 1.328 . . . . 0.0 114.851 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -169.56 175.53 43.74 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.912 1.244 . . . . 0.0 113.701 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -84.63 170.21 45.89 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.146 1.355 . . . . 0.0 114.915 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 27.7 t -157.56 149.06 21.84 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.37 1.468 . . . . 0.0 112.021 178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -102.69 3.44 49.48 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 125.929 1.728 . . . . 0.0 114.125 171.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 78.0 -157.58 45.29 Favored Glycine 0 CA--C 1.538 1.521 0 CA-C-N 118.715 1.258 . . . . 0.0 114.392 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.81 169.62 15.65 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.82 1.2 . . . . 0.0 114.656 -178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 33.5 t -62.39 136.79 58.08 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.855 1.262 . . . . 0.0 112.596 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 60.4 ttm -71.72 140.12 49.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.122 0.969 . . . . 0.0 112.334 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -115.27 143.6 45.0 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.597 1.159 . . . . 0.0 111.84 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -146.49 154.94 49.43 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 126.572 1.949 . . . . 0.0 111.447 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -66.94 166.36 23.02 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.025 2.483 . . . . 0.0 111.31 160.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 50.0 p -65.26 -11.48 41.63 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 17.1 m -71.44 -10.81 60.35 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.93 1.692 . . . . 0.0 115.102 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 43.1 t -149.37 137.94 20.94 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 111.952 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -74.18 131.23 41.06 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.605 0.762 . . . . 0.0 112.074 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -93.56 -23.67 23.16 Favored Glycine 0 N--CA 1.474 1.219 0 C-N-CA 124.152 0.882 . . . . 0.0 115.014 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.4 p-90 -61.76 -43.98 97.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.071 1.435 . . . . 0.0 113.455 -166.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -73.34 -38.78 65.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.432 0.693 . . . . 0.0 112.133 -178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.38 -47.67 47.57 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.106 0.962 . . . . 0.0 111.332 -176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -61.77 -36.85 82.26 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.824 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -73.32 -57.58 3.91 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.022 0.929 . . . . 0.0 111.36 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 32.6 tp -65.49 -32.33 73.87 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.384 -0.823 . . . . 0.0 112.97 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.7 t -65.05 -24.41 67.46 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.779 1.232 . . . . 0.0 113.611 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -83.88 -47.86 10.63 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.308 1.043 . . . . 0.0 111.241 170.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.53 -20.3 66.14 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 96.4 p -75.69 -28.58 58.7 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.891 -1.13 . . . . 0.0 113.844 168.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -90.53 -41.14 11.56 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.526 1.53 . . . . 0.0 114.422 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.79 152.69 35.2 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.157 1.383 . . . . 0.0 112.588 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 51.0 m -75.54 153.54 37.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.109 0.964 . . . . 0.0 110.72 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -55.68 -31.49 62.44 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 120.676 -1.265 . . . . 0.0 113.601 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.475 HD21 HG22 ' B' ' 132' ' ' ILE . 10.2 m120 -63.89 -41.75 97.64 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.71 1.204 . . . . 0.0 112.176 172.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.63 -41.35 84.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.653 1.181 . . . . 0.0 112.021 172.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 71.4 mt -59.49 -42.13 91.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.518 0.727 . . . . 0.0 111.926 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 28.0 mtm -61.7 -46.43 89.72 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.573 0.749 . . . . 0.0 112.002 170.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.86 -45.8 73.54 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -175.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.99 -39.0 93.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.9 0.773 . . . . 0.0 111.27 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.62 -41.57 83.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.176 0.991 . . . . 0.0 112.194 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -62.71 -45.55 92.22 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.176 -0.952 . . . . 0.0 111.319 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -62.02 -48.44 80.3 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 177.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.47 -27.26 66.0 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 119.129 0.877 . . . . 0.0 113.011 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.36 -39.87 71.0 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.975 1.31 . . . . 0.0 112.039 171.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -68.12 -38.94 82.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.693 0.797 . . . . 0.0 112.474 -178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -81.38 -23.82 37.41 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -78.69 -30.51 46.16 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 119.939 1.245 . . . . 0.0 113.166 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.84 -16.37 55.57 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -92.41 -4.58 53.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.152 1.168 . . . . 0.0 114.152 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -117.28 158.19 24.78 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.225 1.41 . . . . 0.0 112.754 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.13 -1.372 . . . . 0.0 112.998 -179.165 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 CA-C-O 120.069 -0.295 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -69.76 148.56 65.32 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.84 3.026 . . . . 0.0 112.555 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.23 -175.27 49.91 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 124.827 1.203 . . . . 0.0 114.374 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.7 t -149.58 144.88 26.49 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.072 1.349 . . . . 0.0 111.911 174.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -75.7 -16.0 60.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.776 1.23 . . . . 0.0 114.156 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.86 151.75 0.1 Allowed Pre-proline 0 CA--C 1.557 1.248 0 C-N-CA 127.893 2.477 . . . . 0.0 114.285 -169.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.49 137.67 47.45 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.456 2.77 . . . . 0.0 113.522 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.3 -13.12 28.57 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.246 1.418 . . . . 0.0 113.082 168.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -85.81 5.18 33.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.098 1.759 . . . . 0.0 114.317 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.2 p -63.27 155.31 28.88 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.35 1.46 . . . . 0.0 114.079 -175.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -63.74 -26.87 68.84 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.187 0.995 . . . . 0.0 112.566 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.62 -34.14 72.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.236 1.414 . . . . 0.0 111.95 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -60.34 -36.18 77.36 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.23 1.012 . . . . 0.0 112.639 178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -77.99 -48.2 16.74 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.503 0.721 . . . . 0.0 111.64 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.22 -32.58 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 124.555 1.142 . . . . 0.0 112.783 -176.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -75.6 -19.33 59.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.343 1.057 . . . . 0.0 113.812 173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.67 -34.03 9.57 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.571 1.082 . . . . 0.0 114.722 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 pp -81.98 -176.25 6.04 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.39 1.476 . . . . 0.0 113.941 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -135.85 176.15 8.94 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.675 1.59 . . . . 0.0 113.039 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 p-10 -59.72 -26.4 65.59 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.76 -34.33 77.65 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.388 0.995 . . . . 0.0 112.841 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -81.18 -28.49 34.96 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.373 1.069 . . . . 0.0 112.947 176.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.52 -47.33 64.14 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.006 0.923 . . . . 0.0 110.88 171.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.33 -33.5 67.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.752 0.821 . . . . 0.0 112.99 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -17.47 64.64 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.95 -26.46 5.17 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mp -71.66 -36.89 70.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.314 1.046 . . . . 0.0 112.296 170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.41 -126.03 41.09 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.407 1.003 . . . . 0.0 113.274 173.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -61.35 -31.91 71.79 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -84.64 10.37 11.36 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.591 1.157 . . . . 0.0 112.882 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.58 144.38 43.04 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.613 -0.68 . . . . 0.0 111.855 168.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 HG22 HD21 ' A' ' 70' ' ' ASN . 8.5 tp -59.13 143.85 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.409 1.084 . . . . 0.0 112.448 -172.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -102.44 33.32 3.18 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.345 1.058 . . . . 0.0 112.735 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.68 12.67 3.81 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 128.094 2.558 . . . . 0.0 115.836 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 135.98 36.38 Favored Glycine 0 CA--C 1.533 1.218 0 O-C-N 120.953 -1.092 . . . . 0.0 112.756 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.23 -3.74 37.25 Favored Glycine 0 CA--C 1.546 1.977 0 C-N-CA 125.073 1.32 . . . . 0.0 115.422 -177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.75 -156.26 49.4 Favored Glycine 0 CA--C 1.54 1.614 0 CA-C-N 119.063 1.431 . . . . 0.0 114.437 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.0 t -155.68 156.32 34.74 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.225 1.81 . . . . 0.0 110.891 177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.19 -151.68 11.88 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.165 0.888 . . . . 0.0 114.216 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.19 -179.71 35.15 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.253 1.406 . . . . 0.0 113.441 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.19 -21.04 6.2 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.274 1.416 . . . . 0.0 115.05 -176.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -78.89 -7.24 57.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.149 1.779 . . . . 0.0 113.928 171.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.95 -156.2 17.37 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.594 1.569 . . . . 0.0 112.265 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.4 -135.15 13.74 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.144 0.878 . . . . 0.0 113.552 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.43 -164.28 41.63 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.373 0.987 . . . . 0.0 113.144 -168.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -152.27 163.49 39.33 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.685 1.594 . . . . 0.0 111.843 -176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 76.3 mtm -142.88 155.86 44.83 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.073 1.349 . . . . 0.0 113.238 -171.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 51.68 51.46 16.6 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.724 2.01 . . . . 0.0 114.32 168.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -73.25 138.34 78.55 Favored Pre-proline 0 N--CA 1.479 1.014 0 C-N-CA 123.907 0.883 . . . . 0.0 110.204 172.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.51 137.34 35.96 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.912 2.408 . . . . 0.0 112.331 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.9 p -68.83 -19.61 64.27 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.581 1.153 . . . . 0.0 114.095 -177.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -79.11 -8.31 58.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.713 1.605 . . . . 0.0 114.112 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 t -67.4 148.44 51.59 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.394 0.997 . . . . 0.0 112.875 -178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -77.87 148.21 34.74 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.15 0.98 . . . . 0.0 112.698 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.12 -27.92 73.54 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 121.049 -1.032 . . . . 0.0 114.622 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -65.85 -40.51 91.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.693 1.247 . . . . 0.0 111.947 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -75.66 -42.61 50.8 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 123.375 0.67 . . . . 0.0 112.758 175.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.47 -52.99 61.3 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.387 0.675 . . . . 0.0 112.448 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -72.65 -38.91 67.52 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.362 -0.836 . . . . 0.0 112.522 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.62 -44.2 82.66 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.887 -0.508 . . . . 0.0 111.877 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 44.6 tp -65.4 -36.3 83.54 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.404 -0.81 . . . . 0.0 111.849 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.2 t -63.97 -36.29 83.48 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.791 0.836 . . . . 0.0 112.8 171.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -61.5 -55.48 30.61 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.931 -1.105 . . . . 0.0 111.284 168.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 mp -67.64 -21.6 65.36 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 -176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.0 p -77.39 -35.85 53.97 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 120.642 1.564 . . . . 0.0 113.343 168.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -85.88 -27.82 24.78 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.9 mp -71.06 157.21 38.6 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.707 1.203 . . . . 0.0 112.495 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.9 m -77.76 154.5 31.9 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.662 1.185 . . . . 0.0 112.076 175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -51.36 -37.49 48.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.841 -1.162 . . . . 0.0 113.148 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.443 HD21 HG22 ' A' ' 32' ' ' ILE . 10.2 m120 -66.34 -38.33 87.39 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.258 1.023 . . . . 0.0 112.912 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.42 -40.21 85.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.496 1.118 . . . . 0.0 111.589 173.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.03 -39.32 85.51 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 118.951 0.796 . . . . 0.0 112.291 172.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.4 mtm -64.35 -43.75 93.6 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.674 0.67 . . . . 0.0 112.079 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.51 -44.25 67.98 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -177.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -62.94 -37.87 88.79 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 118.994 0.816 . . . . 0.0 111.467 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.17 78.86 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.825 0.85 . . . . 0.0 111.966 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.17 -44.73 83.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.722 0.809 . . . . 0.0 110.973 175.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -58.43 -52.01 67.45 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.024 0.93 . . . . 0.0 112.751 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.19 -25.7 65.36 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -73.02 -38.18 66.65 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.792 1.237 . . . . 0.0 112.315 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -71.68 -37.25 70.75 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.151 0.98 . . . . 0.0 112.436 -177.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -76.41 -33.4 58.83 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -72.72 -25.3 61.17 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.931 -1.106 . . . . 0.0 113.278 -174.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -85.75 -13.29 48.76 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -104.31 -20.12 13.87 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -72.13 157.14 38.31 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.523 0.729 . . . . 0.0 112.644 175.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.319 0 C-N-CA 125.575 1.559 . . . . 0.0 113.185 -177.844 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 CA-C-O 119.678 -0.512 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -63.12 -24.68 73.08 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 124.213 3.276 . . . . 0.0 115.631 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.52 40.19 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.202 1.382 . . . . 0.0 112.586 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 49.0 m -140.38 148.16 40.85 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.437 1.495 . . . . 0.0 112.211 -176.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -79.25 -11.46 59.95 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 65.85 145.95 0.1 OUTLIER Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 128.377 2.671 . . . . 0.0 114.743 -170.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.47 157.4 52.98 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.53 2.82 . . . . 0.0 113.734 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 pp -149.1 -18.93 0.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.536 1.534 . . . . 0.0 113.682 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -105.2 4.06 30.81 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.626 1.97 . . . . 0.0 113.472 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 68.2 p -72.43 162.68 29.15 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.076 1.35 . . . . 0.0 112.181 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.61 -28.09 69.39 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.71 -0.618 . . . . 0.0 112.466 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.05 -40.81 95.07 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.133 0.973 . . . . 0.0 111.541 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.5 m -70.68 -34.82 72.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.161 0.984 . . . . 0.0 112.864 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -72.24 -46.74 54.8 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.587 0.755 . . . . 0.0 112.544 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.0 mm -65.96 -25.53 36.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 125.354 1.461 . . . . 0.0 112.584 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.13 -20.57 44.66 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 169.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -81.11 -34.7 25.97 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 124.448 1.023 . . . . 0.0 113.939 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.32 178.51 8.04 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.822 1.649 . . . . 0.0 113.048 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.27 178.75 6.57 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.173 1.389 . . . . 0.0 112.98 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -58.76 -31.81 68.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.75 1.22 . . . . 0.0 114.167 -171.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.84 -33.35 75.8 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.984 0.914 . . . . 0.0 112.459 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.33 -38.1 51.12 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.272 1.029 . . . . 0.0 111.686 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.9 mt -58.91 -50.12 75.23 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.426 0.69 . . . . 0.0 110.798 174.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -34.07 77.0 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.893 0.769 . . . . 0.0 112.968 177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.45 79.13 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -81.42 -31.33 33.21 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.8 mp -69.4 -41.53 76.31 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.197 0.908 . . . . 0.0 111.537 167.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.44 81.2 0.57 Allowed Glycine 0 N--CA 1.471 1.008 0 C-N-CA 124.699 1.142 . . . . 0.0 112.437 169.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? 61.43 -17.38 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 127.796 2.439 . . . . 0.0 115.791 -166.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -75.91 6.31 5.31 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.594 1.558 . . . . 0.0 114.801 -178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -55.57 146.02 21.63 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.52 1.128 . . . . 0.0 112.106 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.469 HG22 HD21 ' B' ' 170' ' ' ASN . 3.1 tp -64.13 139.89 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -173.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -114.61 13.7 17.5 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.518 1.527 . . . . 0.0 113.13 172.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -68.56 141.92 55.36 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.258 -0.901 . . . . 0.0 111.87 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 62.01 19.47 59.07 Favored Glycine 0 CA--C 1.541 1.659 0 O-C-N 121.658 -0.652 . . . . 0.0 114.681 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.98 10.19 66.83 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 125.322 1.439 . . . . 0.0 114.861 -172.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 91.78 -149.38 19.72 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.198 1.38 . . . . 0.0 113.926 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t 61.28 34.14 18.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.111 1.365 . . . . 0.0 113.743 -173.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.23 154.26 11.2 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 125.466 1.507 . . . . 0.0 114.465 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.84 179.35 50.01 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.57 1.081 . . . . 0.0 115.297 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -61.13 134.25 48.79 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.463 1.03 . . . . 0.0 114.765 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 11.0 t -168.33 140.79 2.94 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.794 1.638 . . . . 0.0 112.339 175.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.94 146.01 4.65 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 115.218 0.847 . . . . 0.0 115.218 169.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.44 79.36 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.147 1.356 . . . . 0.0 116.388 170.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.55 149.24 50.55 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 118.516 1.158 . . . . 0.0 113.114 172.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 9.0 m 57.37 22.29 7.7 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -176.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 30.1 ttm -76.09 26.26 0.12 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.167 -1.583 . . . . 0.0 113.597 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -164.86 151.4 10.58 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.106 2.162 . . . . 0.0 110.589 -170.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -64.07 143.1 98.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.951 170.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -54.79 149.56 40.66 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.84 3.027 . . . . 0.0 113.518 172.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 65.6 p -101.54 -26.51 13.52 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.415 1.086 . . . . 0.0 112.32 171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 8.0 t 54.42 38.88 30.43 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.767 2.027 . . . . 0.0 114.643 165.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 65.6 p -63.83 -37.78 88.65 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.128 -0.982 . . . . 0.0 111.538 171.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -130.75 131.64 44.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.05 2.14 . . . . 0.0 108.556 156.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.1 62.29 Favored Glycine 0 N--CA 1.474 1.187 0 O-C-N 121.783 -0.573 . . . . 0.0 113.405 -171.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -64.06 -28.3 69.69 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.637 1.175 . . . . 0.0 112.899 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -73.76 -48.4 31.99 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.046 1.339 . . . . 0.0 111.017 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.6 -55.57 19.51 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 171.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 9.4 p30 -69.74 -20.43 63.51 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -167.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -79.93 -54.52 5.73 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.182 0.993 . . . . 0.0 111.538 171.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.39 -35.97 80.85 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.958 0.903 . . . . 0.0 112.511 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 35.1 t -62.61 -25.76 68.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.837 1.655 . . . . 0.0 113.527 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -84.6 -47.88 10.08 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.394 -0.816 . . . . 0.0 111.778 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.93 -22.93 66.02 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.3 p -70.28 -18.21 63.11 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 172.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -123.54 -17.06 6.59 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 115.626 1.713 . . . . 0.0 115.626 -177.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.22 144.81 56.85 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.646 0.657 . . . . 0.0 109.954 160.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 39.8 t -64.29 155.01 33.45 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.964 0.906 . . . . 0.0 112.625 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -54.02 -35.96 62.48 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.123 -0.985 . . . . 0.0 111.844 169.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.469 HD21 HG22 ' B' ' 132' ' ' ILE . 11.2 m120 -63.78 -38.08 89.75 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.855 0.862 . . . . 0.0 113.095 173.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -70.71 -38.8 73.68 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.587 0.755 . . . . 0.0 112.211 172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.5 -40.89 98.19 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.819 1.19 . . . . 0.0 112.032 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.8 mtm -57.87 -43.83 86.26 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.578 0.626 . . . . 0.0 111.983 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.1 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.706 1.002 . . . . 0.0 113.706 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.1 pp -63.61 -41.21 98.34 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.424 1.011 . . . . 0.0 111.947 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -69.44 -34.75 74.88 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.037 0.935 . . . . 0.0 112.603 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.08 -47.82 48.62 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.75 0.82 . . . . 0.0 110.565 173.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -62.11 -42.14 98.93 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.718 1.207 . . . . 0.0 112.387 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 2.7 pp -67.88 -25.81 65.7 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.69 -38.23 47.9 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.356 1.062 . . . . 0.0 112.499 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -68.73 -32.56 72.42 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.535 0.734 . . . . 0.0 112.72 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -81.48 -34.81 31.12 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.06 -28.71 62.48 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.108 1.322 . . . . 0.0 112.724 -173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.25 -13.12 61.8 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -105.74 0.31 26.1 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.505 1.122 . . . . 0.0 113.948 174.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -71.01 151.56 44.48 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.193 -0.942 . . . . 0.0 112.117 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.247 0 CA-C-O 118.264 -1.298 . . . . 0.0 113.338 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 CA-C-O 119.215 -0.77 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -68.92 163.3 38.05 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.931 3.087 . . . . 0.0 112.735 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.98 148.53 50.84 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.204 0.907 . . . . 0.0 113.145 175.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.8 t -157.25 156.6 32.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.999 1.32 . . . . 0.0 111.827 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -67.03 -18.74 65.51 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.258 1.023 . . . . 0.0 113.355 168.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.3 159.97 0.12 Allowed Pre-proline 0 CA--C 1.553 1.071 0 C-N-CA 128.658 2.783 . . . . 0.0 115.291 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -64.63 161.38 35.75 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.525 2.817 . . . . 0.0 114.116 177.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -96.69 -24.1 16.13 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.929 1.292 . . . . 0.0 111.769 163.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.69 36.2 0.54 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.215 2.206 . . . . 0.0 112.674 178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.2 p -65.44 157.44 29.42 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.49 1.116 . . . . 0.0 113.592 -175.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.2 -32.5 73.91 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.497 -0.752 . . . . 0.0 112.506 173.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.39 -43.82 93.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.336 1.054 . . . . 0.0 111.445 173.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.1 t -64.25 -35.76 81.87 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.714 0.806 . . . . 0.0 112.203 176.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -67.1 -50.75 60.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.247 -0.908 . . . . 0.0 112.215 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.8 mm -61.74 -29.87 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.038 1.335 . . . . 0.0 113.299 178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -66.96 -27.99 67.91 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.223 -0.923 . . . . 0.0 113.405 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 -39.61 4.96 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.018 1.294 . . . . 0.0 115.963 -174.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.52 162.07 28.63 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.619 1.21 . . . . 0.0 114.123 -176.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.04 171.32 8.55 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.393 1.077 . . . . 0.0 113.415 -173.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.55 -29.01 69.74 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.099 -1.001 . . . . 0.0 113.543 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -67.08 -33.23 75.05 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.407 -0.808 . . . . 0.0 112.457 174.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -74.83 -30.16 61.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.938 0.895 . . . . 0.0 111.996 175.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.84 -48.69 65.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.555 0.742 . . . . 0.0 111.111 168.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.92 -31.68 70.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.74 0.816 . . . . 0.0 112.733 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.39 -18.16 64.43 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.23 -25.49 5.25 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 mp -76.52 -36.04 57.95 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.267 0.939 . . . . 0.0 112.36 171.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.69 -126.8 42.57 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 125.083 1.325 . . . . 0.0 113.324 176.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -14.74 40.11 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.64 -5.5 57.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 173.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.98 145.84 49.12 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.005 0.922 . . . . 0.0 111.319 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.461 HG22 HD21 ' A' ' 70' ' ' ASN . 2.8 tp -61.71 139.63 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 121.525 -0.734 . . . . 0.0 112.5 -174.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -92.84 1.05 57.49 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.684 1.194 . . . . 0.0 113.736 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -72.44 145.52 47.55 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.407 1.083 . . . . 0.0 112.448 174.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.46 157.39 32.97 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.494 1.045 . . . . 0.0 113.883 176.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.25 -169.27 43.83 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.581 1.086 . . . . 0.0 114.845 178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.16 165.99 29.32 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.058 1.313 . . . . 0.0 113.296 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -158.09 149.41 21.21 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.223 1.409 . . . . 0.0 112.236 179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.85 138.98 2.88 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 124.968 1.271 . . . . 0.0 112.408 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -120.03 163.16 13.92 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 124.921 1.248 . . . . 0.0 113.858 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.9 -4.26 61.89 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.51 1.052 . . . . 0.0 115.582 179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.9 t -147.51 160.94 42.04 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.146 1.778 . . . . 0.0 111.046 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -173.16 175.68 46.0 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.24 1.4 . . . . 0.0 113.081 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.97 -133.92 29.37 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.069 0.842 . . . . 0.0 112.878 -177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -156.15 148.08 17.6 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.542 1.067 . . . . 0.0 113.115 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -77.72 -10.86 59.76 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 -172.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.79 6.49 6.01 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.733 1.613 . . . . 0.0 115.0 -174.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -65.32 144.59 57.02 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.899 1.28 . . . . 0.0 112.186 177.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -90.45 145.51 32.63 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 124.551 1.14 . . . . 0.0 112.343 -172.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -73.11 163.73 37.37 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.761 2.974 . . . . 0.0 112.944 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -152.76 145.48 24.31 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.389 1.476 . . . . 0.0 111.017 171.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.8 p -87.63 -19.54 27.6 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 113.661 172.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.3 m -79.65 -37.36 36.12 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -175.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -124.15 167.04 14.79 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.722 1.609 . . . . 0.0 113.296 -170.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 176.32 -43.29 0.11 Allowed Glycine 0 N--CA 1.474 1.212 0 O-C-N 121.458 -0.776 . . . . 0.0 114.423 174.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -62.69 -26.63 68.76 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.243 1.017 . . . . 0.0 113.362 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.16 -50.76 7.14 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.323 1.849 . . . . 0.0 111.718 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -66.37 -44.88 81.93 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.992 0.917 . . . . 0.0 113.308 -172.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -65.08 -46.61 80.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.197 0.599 . . . . 0.0 111.176 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.14 -48.98 71.68 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.336 1.055 . . . . 0.0 112.744 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 38.4 tp -63.31 -35.86 81.77 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.392 -0.817 . . . . 0.0 112.16 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.1 t -68.28 -40.61 81.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.714 0.805 . . . . 0.0 112.286 173.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.62 -46.78 88.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.154 0.982 . . . . 0.0 111.982 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.01 -28.05 67.92 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.578 -0.701 . . . . 0.0 112.554 176.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -68.77 -37.15 79.14 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.816 0.846 . . . . 0.0 113.0 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.3 mtp85 -61.56 -51.48 68.38 Favored 'General case' 0 N--CA 1.484 1.244 0 O-C-N 120.516 -1.365 . . . . 0.0 113.091 170.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.0 150.8 48.01 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 114.33 1.234 . . . . 0.0 114.33 -164.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.2 t -66.4 160.12 25.47 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.064 1.745 . . . . 0.0 112.259 173.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -56.85 -35.19 68.57 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.057 -1.027 . . . . 0.0 112.551 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.461 HD21 HG22 ' A' ' 32' ' ' ILE . 7.4 m120 -66.62 -41.47 88.29 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.235 1.014 . . . . 0.0 111.989 174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -69.51 -39.5 77.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.71 1.204 . . . . 0.0 111.836 175.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.33 -42.51 91.66 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.611 1.564 . . . . 0.0 112.476 172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 35.8 mtm -61.37 -44.94 96.31 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 169.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.65 62.18 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -173.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.75 -36.24 82.39 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.066 -1.021 . . . . 0.0 112.18 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.31 -41.27 76.98 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.075 0.95 . . . . 0.0 111.8 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -47.11 87.91 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.587 1.155 . . . . 0.0 110.733 172.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -59.48 -53.6 56.21 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.386 1.075 . . . . 0.0 113.822 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.18 -28.58 69.49 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.948 0.795 . . . . 0.0 113.128 -175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -76.53 -35.42 58.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.124 1.37 . . . . 0.0 112.353 173.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -74.85 -39.09 61.78 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.807 0.843 . . . . 0.0 112.442 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -75.25 -28.37 59.82 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.74 -25.38 59.07 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.56 1.073 . . . . 0.0 113.76 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.35 -12.47 43.29 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -96.2 -19.81 19.06 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 175.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -90.69 160.23 15.95 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.447 1.099 . . . . 0.0 112.403 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 C-N-CA 125.63 1.585 . . . . 0.0 114.212 -179.313 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -69.27 164.23 34.84 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.33 3.354 . . . . 0.0 112.948 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -68.51 -21.71 74.63 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 124.032 0.825 . . . . 0.0 114.98 177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 92.5 p -153.59 153.04 31.6 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.043 1.737 . . . . 0.0 111.304 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -74.69 -41.45 60.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.045 0.938 . . . . 0.0 113.112 -174.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.29 148.47 0.08 OUTLIER Pre-proline 0 CA--C 1.56 1.345 0 C-N-CA 128.596 2.758 . . . . 0.0 116.303 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -74.77 165.9 30.48 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 123.675 2.917 . . . . 0.0 112.54 172.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.6 pp -146.1 -26.88 0.43 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.6 -3.76 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 124.597 1.159 . . . . 0.0 113.578 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 16.2 p -68.21 115.93 8.24 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.677 . . . . 0.0 112.345 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.66 -33.71 66.76 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.099 0.96 . . . . 0.0 112.987 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.6 -50.45 73.48 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.548 1.067 . . . . 0.0 111.462 178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 25.9 m -66.4 -31.9 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.76 0.824 . . . . 0.0 112.409 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.02 -47.07 69.45 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.497 0.719 . . . . 0.0 112.533 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 26.6 mm -62.46 -31.34 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.23 1.412 . . . . 0.0 112.614 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -75.01 -23.41 58.23 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -84.76 -19.67 59.35 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 124.539 1.066 . . . . 0.0 115.389 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -102.18 178.21 4.67 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.418 1.887 . . . . 0.0 113.577 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 175.95 6.08 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.028 1.331 . . . . 0.0 113.559 -177.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -59.38 -30.43 68.42 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.84 1.256 . . . . 0.0 114.002 -173.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.26 -33.07 74.91 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.878 0.871 . . . . 0.0 112.596 174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -78.95 -29.97 44.28 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.541 1.137 . . . . 0.0 112.143 175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.0 -46.44 74.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.43 0.692 . . . . 0.0 110.956 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.81 -29.71 68.42 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.22 -17.36 63.77 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.25 -26.49 6.3 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.36 -32.53 64.56 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 111.755 168.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.83 -139.13 40.48 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.747 1.165 . . . . 0.0 112.421 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.92 -14.13 58.99 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 175.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -84.97 2.31 43.55 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.774 1.229 . . . . 0.0 113.389 174.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.82 146.83 24.96 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.568 1.147 . . . . 0.0 112.04 172.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.504 HG22 HD21 ' B' ' 170' ' ' ASN . 6.1 tp -64.47 154.88 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -167.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -119.94 28.1 8.29 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.027 1.731 . . . . 0.0 113.282 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -143.24 169.67 17.2 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.499 1.52 . . . . 0.0 112.008 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -153.17 -178.43 27.75 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.72 1.152 . . . . 0.0 114.034 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.27 -177.21 52.8 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.292 0.949 . . . . 0.0 114.073 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 72.85 6.71 68.09 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.404 1.002 . . . . 0.0 115.53 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 80.0 p -73.13 154.21 40.44 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.48 1.512 . . . . 0.0 112.646 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 167.27 -172.66 42.32 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.722 1.153 . . . . 0.0 113.083 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.21 158.78 50.48 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 123.873 0.749 . . . . 0.0 113.452 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -68.58 156.21 53.28 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 122.041 -0.682 . . . . 0.0 113.632 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 49.2 m -72.11 179.82 3.13 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.007 1.323 . . . . 0.0 112.731 175.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 78.66 25.02 61.36 Favored Glycine 0 N--CA 1.473 1.15 0 O-C-N 121.301 -0.874 . . . . 0.0 114.904 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -64.47 158.69 42.77 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.588 1.089 . . . . 0.0 114.038 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 124.25 -4.86 8.88 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.393 1.473 . . . . 0.0 115.177 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 24.5 m 60.14 18.99 8.29 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.359 1.863 . . . . 0.0 115.864 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.68 157.06 38.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.908 1.283 . . . . 0.0 112.102 171.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -70.98 151.47 44.62 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.822 0.849 . . . . 0.0 112.952 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -70.56 155.93 92.68 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.422 1.489 . . . . 0.0 111.769 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -61.41 138.83 78.95 Favored 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 122.802 2.335 . . . . 0.0 111.725 171.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 54.3 p -80.53 157.64 26.04 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.75 1.22 . . . . 0.0 113.124 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 19.6 m -61.52 154.86 23.51 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.275 1.43 . . . . 0.0 112.34 173.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 34.2 m -66.6 163.14 19.45 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 129.73 3.212 . . . . 0.0 114.077 1.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 58.17 -154.2 0.36 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.514 1.526 . . . . 0.0 112.8 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 94.86 -5.0 68.91 Favored Glycine 0 N--CA 1.476 1.349 0 C-N-CA 125.307 1.432 . . . . 0.0 114.249 -171.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 60.1 p-90 -59.8 -37.52 79.36 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.956 1.378 . . . . 0.0 111.681 170.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -64.64 -42.73 95.25 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.247 1.419 . . . . 0.0 112.319 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.65 -48.08 73.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.155 0.982 . . . . 0.0 111.745 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -72.83 -31.36 64.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -68.18 -48.9 64.04 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.73 0.812 . . . . 0.0 111.669 171.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.11 -35.68 75.77 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 121.568 -0.708 . . . . 0.0 112.163 177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 14.2 t -57.13 -39.55 75.4 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.195 1.398 . . . . 0.0 112.618 173.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -64.46 -52.0 60.24 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.674 1.124 . . . . 0.0 111.38 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.56 -27.34 68.89 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.944 0.898 . . . . 0.0 113.283 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 27.7 p -67.31 -22.74 65.61 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 22.8 mtp-105 -87.78 -34.16 18.39 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.239 1.416 . . . . 0.0 113.552 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.6 157.19 32.13 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.185 1.394 . . . . 0.0 113.618 -171.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 33.8 t -75.06 163.17 27.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.618 1.567 . . . . 0.0 112.211 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.88 -37.26 81.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.806 -1.184 . . . . 0.0 113.014 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.504 HD21 HG22 ' B' ' 132' ' ' ILE . 26.3 m120 -63.65 -41.24 98.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.188 0.995 . . . . 0.0 112.745 172.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -68.29 -39.68 82.01 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.018 0.927 . . . . 0.0 111.927 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 26.1 mt -61.45 -41.87 97.89 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.011 1.324 . . . . 0.0 112.291 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 43.7 mtm -60.48 -50.04 75.14 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.698 0.681 . . . . 0.0 111.403 169.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.18 81.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -173.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -40.04 95.4 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.007 0.821 . . . . 0.0 111.48 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.1 -41.79 90.14 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.489 1.116 . . . . 0.0 112.138 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.88 -46.13 89.3 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.077 0.951 . . . . 0.0 110.779 176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.45 -51.98 67.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.463 0.705 . . . . 0.0 112.522 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.06 -27.43 66.51 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -71.36 -44.65 64.61 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.063 0.945 . . . . 0.0 112.203 171.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -64.86 -37.1 86.49 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.838 0.855 . . . . 0.0 112.449 -175.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -82.27 -28.62 31.7 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -77.12 -31.52 55.83 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 120.549 1.522 . . . . 0.0 113.212 -176.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.58 -15.31 61.75 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -100.52 6.09 44.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.021 1.328 . . . . 0.0 114.329 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -73.67 -3.97 31.45 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.209 0 C-N-CA 127.544 2.497 . . . . 0.0 112.204 -178.382 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 CA-C-O 119.265 -0.742 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -60.18 159.23 27.14 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.949 3.099 . . . . 0.0 114.071 175.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.44 -146.32 50.34 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 123.584 0.612 . . . . 0.0 113.174 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -70.0 -5.31 25.54 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 -173.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -72.64 -24.11 61.01 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.373 1.069 . . . . 0.0 112.442 169.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.77 163.4 0.1 Allowed Pre-proline 0 CA--C 1.558 1.278 0 C-N-CA 128.518 2.727 . . . . 0.0 116.857 172.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -64.8 156.2 63.15 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.425 2.75 . . . . 0.0 113.143 170.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.59 -21.27 24.13 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -95.68 -1.82 49.28 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.654 1.354 . . . . 0.0 114.654 -166.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.0 p -68.59 151.74 46.33 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.025 1.33 . . . . 0.0 113.495 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mp0 -67.86 -29.35 68.45 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.562 1.545 . . . . 0.0 112.916 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.82 -42.12 99.59 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.512 1.125 . . . . 0.0 112.858 -168.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.0 p -67.46 -28.96 68.3 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -72.98 -48.3 37.79 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.146 -0.971 . . . . 0.0 111.395 172.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -64.82 -33.16 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.031 1.332 . . . . 0.0 113.101 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -76.37 -23.33 54.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.917 0.887 . . . . 0.0 113.203 171.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.01 -32.65 12.14 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.881 1.229 . . . . 0.0 115.02 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.55 178.42 3.52 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.71 1.604 . . . . 0.0 113.667 177.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.22 172.9 9.16 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.89 1.276 . . . . 0.0 112.785 175.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -27.24 66.02 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -174.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -63.9 -33.86 76.65 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.836 0.855 . . . . 0.0 112.394 173.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -75.37 -35.56 61.09 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 112.031 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.52 -44.95 81.09 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.27 1.028 . . . . 0.0 111.413 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.0 69.56 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.94 -17.26 61.5 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.85 -28.67 5.88 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.56 -39.4 37.8 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.277 0.944 . . . . 0.0 111.899 170.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.07 -115.83 4.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.154 1.359 . . . . 0.0 113.482 175.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -54.3 -27.21 33.89 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.4 1.88 . . . . 0.0 113.926 177.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -104.16 16.43 26.25 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.862 1.265 . . . . 0.0 113.883 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -66.72 133.17 49.63 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.55 -1.344 . . . . 0.0 111.176 171.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -67.88 150.82 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 C-N-CA 125.062 1.345 . . . . 0.0 112.974 -174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -91.99 -3.2 56.17 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -75.14 160.63 30.22 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.49 1.516 . . . . 0.0 113.376 179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -179.09 -178.53 48.33 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.011 1.291 . . . . 0.0 113.365 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.46 80.01 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.589 1.09 . . . . 0.0 115.749 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.66 2.64 53.25 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 125.343 1.449 . . . . 0.0 116.42 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -63.03 147.57 50.3 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.417 1.487 . . . . 0.0 114.129 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.09 -160.96 50.29 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.531 1.062 . . . . 0.0 114.446 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.6 20.7 77.42 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.921 1.248 . . . . 0.0 115.397 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 151.3 51.58 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.622 1.106 . . . . 0.0 114.484 -176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.0 p -79.37 -2.4 41.49 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.828 1.651 . . . . 0.0 114.946 -178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.69 -155.3 29.1 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 124.754 1.168 . . . . 0.0 113.767 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.18 -160.55 52.56 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.462 1.03 . . . . 0.0 113.136 -172.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -176.69 173.8 46.56 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.352 0.977 . . . . 0.0 114.01 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.9 m -77.34 49.51 0.71 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 126.333 1.853 . . . . 0.0 113.338 -177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 91.2 mtp -73.66 -14.77 61.22 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.353 1.461 . . . . 0.0 113.903 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -135.28 163.2 30.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.094 1.758 . . . . 0.0 111.443 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -147.67 160.1 39.35 Favored Pre-proline 0 N--CA 1.48 1.046 0 C-N-CA 125.784 1.634 . . . . 0.0 112.548 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -60.29 162.11 18.12 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 123.55 2.834 . . . . 0.0 113.45 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -76.09 171.87 13.75 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.062 0.945 . . . . 0.0 113.171 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.1 p -71.78 -8.84 56.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.794 1.238 . . . . 0.0 114.334 172.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.8 t -116.51 -46.64 2.76 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.227 1.411 . . . . 0.0 113.228 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -121.18 140.86 51.44 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.122 1.769 . . . . 0.0 111.969 178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 169.69 -7.22 0.04 OUTLIER Glycine 0 CA--C 1.533 1.213 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -55.3 -42.83 74.2 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.92 1.86 . . . . 0.0 113.278 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -27.59 60.79 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -77.35 -52.19 9.58 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.402 1.081 . . . . 0.0 110.878 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.15 -24.71 66.71 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.736 1.214 . . . . 0.0 113.521 -176.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -81.34 -59.38 2.66 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.275 -0.891 . . . . 0.0 111.948 171.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.76 -36.54 81.32 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 95.7 p -66.49 -21.04 66.18 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -84.79 -51.28 6.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.615 0.766 . . . . 0.0 110.547 170.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.08 -32.03 65.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.822 1.249 . . . . 0.0 113.349 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 88.8 p -67.98 -29.85 68.98 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 175.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -92.13 -16.74 25.9 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.51 150.07 48.99 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.039 0.836 . . . . 0.0 111.781 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.0 t -66.63 153.4 43.2 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.229 1.412 . . . . 0.0 111.24 174.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -53.51 -35.2 60.38 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.03 0.932 . . . . 0.0 111.825 170.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -66.73 -48.86 67.84 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.49 0.716 . . . . 0.0 112.518 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.81 -42.09 99.57 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.367 1.067 . . . . 0.0 112.417 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.06 -35.07 79.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.911 1.684 . . . . 0.0 112.297 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.7 mtm -71.36 -40.3 70.73 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.368 0.667 . . . . 0.0 112.773 167.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.48 -43.15 86.22 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -177.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 -39.12 93.31 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.686 1.13 . . . . 0.0 111.959 175.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.84 86.17 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.946 1.298 . . . . 0.0 112.232 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -64.72 -47.65 77.53 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.195 0.998 . . . . 0.0 111.272 174.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -59.12 -50.02 75.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.974 0.91 . . . . 0.0 112.454 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 pp -65.69 -30.19 70.84 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 119.265 0.939 . . . . 0.0 112.986 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -75.67 -36.5 60.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.478 1.111 . . . . 0.0 112.88 172.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -67.9 -41.25 82.99 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.541 0.736 . . . . 0.0 111.838 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -80.01 -20.12 46.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -83.2 -31.6 26.99 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.042 1.292 . . . . 0.0 113.256 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.23 -18.97 54.71 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -3.23 58.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.258 1.023 . . . . 0.0 113.591 177.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -65.0 153.71 39.87 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.061 1.344 . . . . 0.0 112.678 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 C-N-CA 125.026 1.298 . . . . 0.0 113.285 179.411 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.18 -22.49 25.72 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.74 2.96 . . . . 0.0 113.876 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 179.85 162.71 29.27 Favored Glycine 0 CA--C 1.538 1.472 0 C-N-CA 125.321 1.439 . . . . 0.0 112.728 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 46.2 t -73.4 142.42 46.96 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -80.29 -13.75 58.94 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.498 1.519 . . . . 0.0 113.492 173.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.2 142.37 0.06 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 129.298 3.039 . . . . 0.0 114.881 -169.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -75.84 165.93 29.12 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.427 2.752 . . . . 0.0 112.947 179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.4 pp -136.64 -9.37 1.88 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.826 1.65 . . . . 0.0 113.669 177.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 45.7 p-10 -121.42 20.58 11.19 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.919 2.088 . . . . 0.0 112.795 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 41.3 p -55.27 136.28 49.07 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.199 1.4 . . . . 0.0 113.295 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -62.21 -24.39 67.2 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.993 1.317 . . . . 0.0 114.509 -175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.5 -37.64 70.67 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.271 -0.893 . . . . 0.0 112.561 176.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -62.63 -39.22 93.14 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.609 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -71.78 -43.48 65.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.549 0.74 . . . . 0.0 112.149 174.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.0 mm -66.7 -31.56 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.963 0.905 . . . . 0.0 112.449 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -71.54 -33.07 68.83 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.039 -1.038 . . . . 0.0 113.24 169.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.61 -26.42 32.65 Favored Glycine 0 CA--C 1.538 1.494 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 -172.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.63 179.83 3.94 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.463 1.505 . . . . 0.0 113.877 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.74 169.25 12.76 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.464 1.506 . . . . 0.0 112.377 173.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.0 p-10 -60.48 -24.34 65.2 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 115.14 1.533 . . . . 0.0 115.14 -172.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -64.29 -32.76 74.49 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.181 0.992 . . . . 0.0 112.715 171.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -73.32 -36.34 66.2 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.838 1.255 . . . . 0.0 112.008 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 92.5 mt -66.88 -47.45 71.82 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.842 0.857 . . . . 0.0 110.588 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.42 -32.33 70.08 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.49 -17.65 64.22 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.17 -25.72 5.66 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.5 mp -76.51 -36.64 57.63 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.715 1.206 . . . . 0.0 111.959 169.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.84 -126.36 42.38 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.592 1.091 . . . . 0.0 113.695 176.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -56.45 -30.6 63.08 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 125.364 1.466 . . . . 0.0 113.596 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.52 5.81 40.84 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.134 1.374 . . . . 0.0 114.214 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -60.86 133.09 55.76 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.042 -1.036 . . . . 0.0 111.283 173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 2.6 tp -65.77 144.83 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.004 0.922 . . . . 0.0 112.38 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -83.16 -9.49 59.15 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -83.73 2.77 36.26 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.707 1.603 . . . . 0.0 113.839 171.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.43 162.43 40.78 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.651 1.12 . . . . 0.0 115.027 -175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 90.8 -2.55 80.11 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.376 1.465 . . . . 0.0 115.336 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -71.74 161.75 54.28 Favored Glycine 0 CA--C 1.539 1.579 0 CA-C-N 118.561 1.181 . . . . 0.0 113.173 169.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 38.5 t -155.76 147.44 23.01 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.629 1.172 . . . . 0.0 112.428 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -83.83 -2.06 89.77 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.76 1.171 . . . . 0.0 114.933 171.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 79.02 -141.0 23.74 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-N 118.561 1.181 . . . . 0.0 112.81 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -63.63 152.48 47.89 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 124.749 1.166 . . . . 0.0 113.922 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.7 p -71.71 157.11 38.52 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.168 1.387 . . . . 0.0 113.758 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.94 -179.66 40.01 Favored Glycine 0 N--CA 1.473 1.1 0 C-N-CA 125.126 1.346 . . . . 0.0 113.797 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.98 152.21 19.19 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.639 1.59 . . . . 0.0 115.019 176.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.15 -13.96 66.29 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 126.314 1.911 . . . . 0.0 115.486 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 21.3 t 61.49 161.17 0.06 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 127.294 2.238 . . . . 0.0 115.6 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 95.8 mtp -77.99 -19.83 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.972 1.309 . . . . 0.0 112.607 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -72.05 153.26 41.85 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.572 1.149 . . . . 0.0 112.421 176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.7 144.16 98.8 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 124.653 1.181 . . . . 0.0 111.596 175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_exo -55.03 162.27 5.54 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 124.44 3.427 . . . . 0.0 114.702 168.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.8 p -71.41 -25.72 62.46 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.398 1.079 . . . . 0.0 112.887 173.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 63.6 m -73.06 150.3 42.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.715 1.206 . . . . 0.0 112.791 172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 31.4 t -70.01 -43.8 70.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.185 0.594 . . . . 0.0 111.545 169.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -89.84 130.84 36.02 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.743 1.217 . . . . 0.0 111.792 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -101.09 -15.74 27.45 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 115.629 1.012 . . . . 0.0 115.629 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.1 p-90 -59.18 -44.57 92.18 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 118.75 1.275 . . . . 0.0 112.924 -167.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -33.27 72.65 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.957 0.903 . . . . 0.0 113.187 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -72.36 -48.28 43.01 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.047 0.939 . . . . 0.0 110.796 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -66.22 -31.12 71.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.173 0.989 . . . . 0.0 112.417 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -76.37 -58.19 3.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.507 0.723 . . . . 0.0 111.999 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 46.9 tp -66.97 -35.92 81.05 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -173.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 29.5 t -66.04 -42.84 89.04 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.413 -0.805 . . . . 0.0 111.588 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -63.49 -44.34 94.66 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.641 0.655 . . . . 0.0 111.829 172.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.1 mp -59.77 -33.56 71.85 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.918 0.781 . . . . 0.0 112.347 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 40.6 t -66.42 -42.92 87.03 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.236 -0.915 . . . . 0.0 112.487 172.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -67.66 -39.58 84.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.859 1.263 . . . . 0.0 113.525 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.65 152.03 45.14 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.829 1.651 . . . . 0.0 112.969 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.2 t -67.61 155.74 38.44 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.337 1.455 . . . . 0.0 113.357 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -52.66 -36.33 56.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.97 1.308 . . . . 0.0 111.711 166.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -66.33 -43.43 86.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 173.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -66.91 -39.1 87.3 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.593 0.757 . . . . 0.0 112.165 178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.13 -40.58 96.49 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.869 0.759 . . . . 0.0 112.439 175.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 74.6 mtm -61.36 -39.74 91.72 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.585 0.629 . . . . 0.0 112.089 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.34 -42.88 61.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.28 -37.79 88.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.517 1.053 . . . . 0.0 111.235 176.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.34 88.29 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.79 0.836 . . . . 0.0 112.261 173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.86 -45.87 91.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.055 0.942 . . . . 0.0 111.417 176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.2 -45.92 89.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 118.558 -0.734 . . . . 0.0 112.861 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.77 -24.28 65.31 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.581 1.082 . . . . 0.0 113.431 176.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -76.22 -40.03 53.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.493 1.117 . . . . 0.0 112.635 172.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -64.89 -37.08 86.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.244 1.018 . . . . 0.0 111.842 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.47 -12.69 48.26 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -91.13 -33.45 15.44 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.578 1.535 . . . . 0.0 112.834 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -67.58 -17.91 64.81 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -174.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -84.64 -14.8 47.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.734 1.214 . . . . 0.0 113.949 175.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -78.97 147.38 32.97 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 113.073 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 C-N-CA 125.233 1.397 . . . . 0.0 114.046 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 CA-C-O 119.509 -0.606 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.18 155.07 68.95 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.949 3.099 . . . . 0.0 113.21 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.03 -155.85 41.95 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.459 1.028 . . . . 0.0 114.247 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.4 p -69.85 142.47 53.07 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.567 0.747 . . . . 0.0 110.992 168.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.76 -33.0 68.27 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -165.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.08 165.2 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.222 0 C-N-CA 127.378 2.271 . . . . 0.0 115.112 -176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.24 139.61 87.93 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.419 2.746 . . . . 0.0 112.5 174.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.23 -11.62 15.21 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -170.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.3 p-10 -135.32 11.61 3.52 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -172.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.9 p -65.52 -35.99 82.5 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 121.006 -1.059 . . . . 0.0 113.272 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.84 -40.42 65.74 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.34 0.656 . . . . 0.0 111.36 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.97 -46.12 90.67 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.277 1.031 . . . . 0.0 110.755 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 t -59.54 -39.67 84.74 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.567 1.147 . . . . 0.0 112.609 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -67.15 -50.61 60.62 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.385 -0.822 . . . . 0.0 111.985 176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -62.82 -29.76 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.508 1.123 . . . . 0.0 112.611 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -79.08 -21.11 47.22 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.88 1.272 . . . . 0.0 113.955 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.25 -33.08 9.0 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.513 1.054 . . . . 0.0 114.434 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.49 172.62 10.17 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.383 1.473 . . . . 0.0 114.076 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.69 173.19 6.54 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.825 1.25 . . . . 0.0 113.241 179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -60.83 -27.02 67.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 121.084 -1.01 . . . . 0.0 113.515 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.49 -30.42 69.25 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.189 0.996 . . . . 0.0 112.317 173.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -78.3 -35.71 47.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.453 1.101 . . . . 0.0 111.703 174.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.69 -48.73 80.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.216 0.606 . . . . 0.0 110.716 169.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -31.05 70.61 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 175.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.01 -34.87 77.33 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 175.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.69 -30.1 13.42 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.19 -34.89 59.31 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.385 1.074 . . . . 0.0 112.208 170.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.85 -135.72 43.86 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.888 1.232 . . . . 0.0 112.479 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -67.91 -7.08 25.38 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -92.32 1.42 57.24 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.495 1.518 . . . . 0.0 113.942 172.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -59.92 149.91 30.32 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.887 1.275 . . . . 0.0 112.793 174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 HD21 ' A' ' 70' ' ' ASN . 5.1 tp -57.57 143.94 10.92 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 123.959 0.903 . . . . 0.0 112.932 -172.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -93.08 -4.57 52.15 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -78.43 157.71 28.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.051 1.341 . . . . 0.0 113.05 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.22 -8.83 75.73 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 124.201 0.905 . . . . 0.0 114.863 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.52 152.33 20.15 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.27 1.415 . . . . 0.0 112.565 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.68 179.27 50.21 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 124.491 1.043 . . . . 0.0 114.896 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.5 t -61.27 149.27 38.39 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 113.001 175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.2 160.4 39.33 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.13 0.871 . . . . 0.0 113.99 177.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -174.6 -157.8 17.02 Favored Glycine 0 CA--C 1.536 1.396 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -174.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.82 149.88 26.12 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 125.787 1.66 . . . . 0.0 112.978 -175.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -121.85 4.71 9.96 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -162.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.34 -117.26 10.03 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 119.121 0.873 . . . . 0.0 113.553 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -68.55 -9.38 58.4 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.915 1.245 . . . . 0.0 115.921 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.07 -126.77 39.28 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 119.02 1.41 . . . . 0.0 114.047 169.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 m -61.19 -8.97 4.08 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.401 1.88 . . . . 0.0 115.775 -173.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.8 ttm -65.49 -27.5 68.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.36 1.064 . . . . 0.0 112.521 170.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -75.93 158.27 32.2 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.826 1.25 . . . . 0.0 112.551 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -145.85 151.75 46.49 Favored Pre-proline 0 N--CA 1.475 0.798 0 C-N-CA 126.082 1.753 . . . . 0.0 111.802 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -68.07 155.41 69.66 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 122.592 2.195 . . . . 0.0 112.351 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.1 p -123.07 -10.25 8.16 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.961 1.304 . . . . 0.0 114.169 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.4 p -74.79 165.53 25.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.605 1.162 . . . . 0.0 113.342 174.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.6 m -64.41 138.46 58.43 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.718 -0.614 . . . . 0.0 110.701 166.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 62.24 -19.47 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 127.434 2.294 . . . . 0.0 116.416 -172.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.0 -30.27 2.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 126.945 2.212 . . . . 0.0 116.121 163.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -59.06 -42.69 90.94 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.407 1.104 . . . . 0.0 112.877 -174.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -67.71 -27.21 66.62 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 -176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -83.92 -51.59 7.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.528 1.131 . . . . 0.0 110.981 174.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.48 -48.38 81.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.229 1.011 . . . . 0.0 112.825 -176.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -65.6 -47.46 75.6 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.694 0.798 . . . . 0.0 112.152 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.56 -41.33 98.85 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.339 -0.851 . . . . 0.0 112.063 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.2 t -60.9 -39.4 89.17 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.018 0.927 . . . . 0.0 112.95 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -67.54 -47.65 69.26 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.792 0.837 . . . . 0.0 112.014 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.77 -31.7 71.78 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.217 1.007 . . . . 0.0 113.173 -176.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.4 p -66.05 -27.1 67.84 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.742 1.155 . . . . 0.0 112.453 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -91.63 -6.88 51.48 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.525 1.93 . . . . 0.0 114.422 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -90.84 156.53 17.96 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.616 1.166 . . . . 0.0 112.384 168.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -77.9 161.37 27.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.544 1.138 . . . . 0.0 110.948 176.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -56.61 -43.89 80.61 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.059 -1.026 . . . . 0.0 112.624 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.489 HD21 HG22 ' A' ' 32' ' ' ILE . 9.5 m120 -60.53 -40.15 90.46 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 118.4 0.545 . . . . 0.0 112.321 178.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.86 -42.39 77.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.14 0.976 . . . . 0.0 112.491 172.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.5 -36.42 83.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.945 1.698 . . . . 0.0 112.586 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.6 mtm -69.73 -40.63 76.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.219 0.607 . . . . 0.0 112.129 168.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -46.21 78.8 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -65.56 -35.64 81.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.191 -0.943 . . . . 0.0 111.808 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.47 -37.32 84.86 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.846 0.858 . . . . 0.0 112.001 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.38 -44.75 78.17 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.552 1.141 . . . . 0.0 111.059 172.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -56.87 -51.7 68.04 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.973 0.909 . . . . 0.0 112.564 177.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.4 -24.8 64.81 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -76.77 -33.45 58.07 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.572 1.149 . . . . 0.0 112.84 174.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -71.67 -40.33 69.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.13 0.972 . . . . 0.0 112.466 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -76.67 -30.56 56.82 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.97 -32.57 69.46 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.04 1.291 . . . . 0.0 112.56 -175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.74 -13.92 59.55 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -96.25 -7.84 34.47 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -75.23 152.16 38.35 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.828 0.851 . . . . 0.0 112.474 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.24 0 C-N-CA 125.519 1.533 . . . . 0.0 114.146 -179.485 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.222 0 CA-C-O 118.194 -1.337 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -62.83 -29.23 76.41 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.784 2.989 . . . . 0.0 115.376 -176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.28 3.09 60.59 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 124.46 1.029 . . . . 0.0 115.251 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.2 p -77.46 171.33 15.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.62 1.568 . . . . 0.0 113.235 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -71.87 -15.48 62.12 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.105 1.362 . . . . 0.0 114.287 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.1 98.31 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.192 1.397 . . . . 0.0 114.298 -171.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -73.53 170.99 18.64 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 124.166 3.244 . . . . 0.0 113.416 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.9 pp -138.37 -6.51 1.56 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -141.49 8.51 1.99 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.56 1.544 . . . . 0.0 114.83 -175.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -73.67 -5.94 43.68 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.892 1.277 . . . . 0.0 114.283 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -57.47 -35.83 70.67 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.093 1.357 . . . . 0.0 112.808 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.73 -43.36 99.02 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.434 -0.791 . . . . 0.0 111.425 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.3 t -66.54 -34.91 78.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.121 0.969 . . . . 0.0 112.223 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.17 -47.17 77.94 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.538 -0.726 . . . . 0.0 111.8 175.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 25.2 mm -67.23 -32.14 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 124.779 1.232 . . . . 0.0 112.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -71.56 -26.97 62.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.274 -0.891 . . . . 0.0 113.167 171.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.38 -41.02 12.07 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.674 1.131 . . . . 0.0 114.574 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.52 170.14 16.32 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.965 1.306 . . . . 0.0 113.328 177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.1 178.43 4.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.434 1.094 . . . . 0.0 113.456 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 46.1 p-10 -59.87 -28.44 67.53 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -66.39 -35.83 81.32 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.911 0.885 . . . . 0.0 112.266 172.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -75.9 -38.24 57.96 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.237 1.015 . . . . 0.0 111.971 174.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.79 -45.72 91.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.309 0.643 . . . . 0.0 111.155 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.66 -33.43 75.04 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.081 0.855 . . . . 0.0 113.084 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.38 -38.69 78.14 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.707 -0.621 . . . . 0.0 112.593 175.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.35 -30.05 16.77 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -175.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.31 -40.88 25.91 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.553 1.141 . . . . 0.0 111.727 171.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.32 -115.61 7.65 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 124.463 1.03 . . . . 0.0 112.805 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -50.76 -40.52 55.07 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.48 1.912 . . . . 0.0 113.704 179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -92.26 8.59 37.53 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.573 1.149 . . . . 0.0 113.698 -175.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -62.71 142.22 58.22 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.419 -0.8 . . . . 0.0 111.608 174.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.474 HG22 HD21 ' B' ' 170' ' ' ASN . 4.5 tp -63.52 150.4 9.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -170.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -96.57 22.85 7.49 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.104 1.362 . . . . 0.0 114.014 -178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -134.68 165.1 26.04 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.08 1.352 . . . . 0.0 112.83 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -74.97 29.73 1.1 Allowed Glycine 0 CA--C 1.54 1.626 0 N-CA-C 117.917 1.927 . . . . 0.0 117.917 -165.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 73.06 61.43 3.47 Favored Glycine 0 CA--C 1.536 1.349 0 CA-C-N 119.394 1.597 . . . . 0.0 113.73 177.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -75.51 -160.8 9.1 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.489 1.519 . . . . 0.0 114.817 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 16.2 t 67.24 152.91 0.08 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.945 2.098 . . . . 0.0 114.866 -169.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -124.13 -165.82 12.33 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 126.423 1.963 . . . . 0.0 113.415 175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -176.34 179.14 47.55 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.872 1.225 . . . . 0.0 113.39 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -168.37 164.44 38.02 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.854 0.74 . . . . 0.0 114.236 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.5 p -72.18 -18.55 61.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -177.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -175.88 168.27 40.46 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.248 0.928 . . . . 0.0 113.48 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -106.05 -166.82 23.15 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.793 1.663 . . . . 0.0 114.328 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -80.42 -145.75 4.18 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.985 1.279 . . . . 0.0 113.271 171.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 32.9 t -60.89 134.24 56.89 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.415 -1.05 . . . . 0.0 111.637 176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 59.6 ttm -156.52 152.32 27.19 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.564 1.546 . . . . 0.0 111.207 -172.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -60.76 145.21 50.48 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 123.716 0.806 . . . . 0.0 112.044 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -64.06 144.57 98.21 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 124.295 1.038 . . . . 0.0 113.525 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -63.52 168.73 10.94 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.393 2.729 . . . . 0.0 114.293 173.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 35.5 p -138.71 136.57 35.95 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.803 1.641 . . . . 0.0 110.678 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 63.6 p -72.76 137.3 45.77 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.459 -0.776 . . . . 0.0 111.354 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 16.2 t 60.71 -48.35 0.1 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.445 2.698 . . . . 0.0 115.397 -171.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -70.97 -3.61 20.34 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 126.594 1.958 . . . . 0.0 114.27 175.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -78.7 1.29 73.59 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 126.754 2.121 . . . . 0.0 115.235 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -50.49 -40.03 50.02 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.092 1.357 . . . . 0.0 112.141 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.6 65.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -178.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -76.55 -44.81 33.25 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.628 1.171 . . . . 0.0 110.528 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -66.56 -46.31 76.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.005 0.922 . . . . 0.0 112.12 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -64.86 -48.38 74.49 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.612 1.165 . . . . 0.0 112.083 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 24.9 tp -64.89 -29.49 70.44 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.364 -0.835 . . . . 0.0 112.586 178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 46.5 t -67.47 -33.39 75.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.532 1.133 . . . . 0.0 113.395 172.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -68.61 -48.9 62.93 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 120.228 -1.545 . . . . 0.0 110.985 167.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.3 mp -55.42 -40.06 71.0 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.563 1.145 . . . . 0.0 112.626 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 80.2 p -71.21 -32.17 68.49 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -76.27 -38.73 55.84 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.723 1.209 . . . . 0.0 113.376 175.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.72 146.25 51.67 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.16 1.384 . . . . 0.0 112.36 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 22.7 t -73.58 165.2 25.52 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.808 1.243 . . . . 0.0 112.602 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -50.67 -39.19 50.31 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.993 1.717 . . . . 0.0 112.381 173.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.474 HD21 HG22 ' B' ' 132' ' ' ILE . 9.9 m120 -67.46 -45.04 77.14 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.33 1.052 . . . . 0.0 112.671 177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -67.67 -38.62 84.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.434 1.094 . . . . 0.0 112.099 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 34.0 mt -60.08 -39.77 87.26 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.011 1.324 . . . . 0.0 112.5 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 73.0 mtm -67.21 -42.47 84.07 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.701 -0.625 . . . . 0.0 112.453 170.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.56 82.6 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.687 0.795 . . . . 0.0 112.816 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.29 -37.53 85.62 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.835 0.743 . . . . 0.0 111.562 177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.03 -40.89 95.49 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.218 1.007 . . . . 0.0 112.229 176.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.21 -47.43 79.76 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 111.034 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -63.27 -42.59 99.13 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.267 -0.896 . . . . 0.0 113.13 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.32 -26.83 65.82 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.309 0.959 . . . . 0.0 113.192 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -73.18 -35.46 66.4 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.175 0.898 . . . . 0.0 112.489 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -70.98 -35.93 72.32 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.234 1.014 . . . . 0.0 112.532 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -79.53 -36.17 38.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -72.21 -28.26 63.06 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.911 -1.118 . . . . 0.0 112.794 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.96 -10.01 59.18 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -113.78 5.48 16.36 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.801 1.241 . . . . 0.0 114.216 175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.05 165.24 22.31 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.298 -0.876 . . . . 0.0 112.234 166.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 C-N-CA 125.292 1.425 . . . . 0.0 112.494 177.403 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 CA-C-O 119.905 -0.386 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -67.73 161.45 43.72 Favored 'Trans proline' 0 C--N 1.353 0.812 0 C-N-CA 124.287 3.325 . . . . 0.0 112.718 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.89 -112.45 3.6 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.249 0.928 . . . . 0.0 112.933 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.5 t -146.51 158.75 43.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.802 1.641 . . . . 0.0 111.759 -175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -62.9 -26.02 68.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.258 1.023 . . . . 0.0 113.184 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.23 152.91 0.11 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 128.147 2.579 . . . . 0.0 115.446 -175.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.71 147.51 75.82 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.691 2.261 . . . . 0.0 111.839 172.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 pp -130.52 -16.18 3.47 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -92.22 -13.12 30.99 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.486 1.514 . . . . 0.0 113.64 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.5 t -72.62 143.53 48.15 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.362 1.065 . . . . 0.0 111.962 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -59.54 -39.44 83.98 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.033 1.333 . . . . 0.0 112.726 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.72 -46.69 86.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.756 -0.59 . . . . 0.0 111.297 177.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.9 t -65.34 -37.52 87.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.517 0.727 . . . . 0.0 112.404 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.71 -47.21 79.15 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.507 0.723 . . . . 0.0 112.184 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -68.47 -29.86 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.691 1.196 . . . . 0.0 112.886 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.2 -32.04 62.89 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.597 1.159 . . . . 0.0 112.889 172.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.22 -26.34 44.45 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.772 1.177 . . . . 0.0 115.239 -174.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -76.74 -174.39 2.99 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.877 1.271 . . . . 0.0 113.313 179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.65 164.64 23.47 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.697 1.599 . . . . 0.0 112.586 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.6 -22.88 62.43 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.83 -35.72 80.87 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.151 0.98 . . . . 0.0 112.894 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -74.46 -36.68 63.35 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.424 1.09 . . . . 0.0 111.569 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.14 -46.06 82.46 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.441 0.696 . . . . 0.0 111.173 174.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.1 -33.38 73.28 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.868 0.758 . . . . 0.0 112.899 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.5 87.24 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -28.51 18.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 mp -76.9 -40.74 46.34 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.754 1.222 . . . . 0.0 111.928 172.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.84 -130.56 49.78 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.894 0.759 . . . . 0.0 112.476 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' H ' ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.5 -15.37 57.67 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.478 1.658 . . . . 0.0 115.478 178.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -82.1 0.78 39.09 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 170.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.83 144.37 44.44 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.176 -0.953 . . . . 0.0 112.802 177.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG22 HD21 ' A' ' 70' ' ' ASN . 8.3 tp -64.49 145.38 13.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.166 0.986 . . . . 0.0 113.476 -170.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -94.02 61.61 2.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.846 1.258 . . . . 0.0 110.159 168.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 62.99 160.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 128.259 2.624 . . . . 0.0 116.567 -176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.4 169.73 45.96 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.767 1.651 . . . . 0.0 115.719 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.51 101.14 0.7 Allowed Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.081 1.8 . . . . 0.0 114.204 176.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.38 162.16 20.03 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.065 1.317 . . . . 0.0 115.326 173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.2 m -81.52 -28.99 33.74 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.527 1.131 . . . . 0.0 113.566 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.97 -169.11 51.63 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.54 1.067 . . . . 0.0 114.621 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.18 -148.07 38.73 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.333 0.968 . . . . 0.0 113.776 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.13 -166.39 11.24 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.982 1.277 . . . . 0.0 113.515 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.9 t -146.02 176.19 9.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.226 1.41 . . . . 0.0 111.601 -178.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.25 -20.38 62.95 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 124.878 1.228 . . . . 0.0 115.648 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.16 53.33 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.154 1.359 . . . . 0.0 114.841 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.63 -160.2 53.49 Favored Glycine 0 CA--C 1.537 1.445 0 C-N-CA 124.304 0.955 . . . . 0.0 113.744 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.1 t -153.44 155.86 37.12 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.555 1.542 . . . . 0.0 111.254 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 74.8 mtm -68.92 121.7 17.14 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.095 0.958 . . . . 0.0 112.05 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -83.09 -17.16 44.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.251 1.02 . . . . 0.0 113.563 171.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -74.94 153.79 86.8 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.722 2.009 . . . . 0.0 112.685 176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -69.81 165.78 29.89 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 122.809 2.34 . . . . 0.0 111.991 169.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -152.07 151.32 30.96 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.958 1.303 . . . . 0.0 111.564 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.5 m -83.17 -9.3 59.25 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.735 1.384 . . . . 0.0 114.735 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.2 p -154.04 165.39 36.31 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.061 1.344 . . . . 0.0 113.028 -175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -63.32 133.32 53.93 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.91 0.884 . . . . 0.0 112.228 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -100.96 -14.1 32.24 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -174.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 66.0 p-90 -59.34 -43.95 92.71 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.507 1.153 . . . . 0.0 113.24 -168.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -35.91 80.71 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -74.71 -44.47 49.88 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.499 0.72 . . . . 0.0 112.151 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.16 -48.26 79.19 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.626 -0.671 . . . . 0.0 111.643 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -65.65 -47.78 74.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.649 0.78 . . . . 0.0 112.115 -176.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.2 tp -65.57 -37.37 86.48 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.132 -0.98 . . . . 0.0 112.143 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.0 t -63.53 -48.97 75.33 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.531 0.605 . . . . 0.0 112.257 176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.6 -37.23 73.84 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.894 -1.129 . . . . 0.0 112.301 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.79 -18.72 65.52 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.967 1.258 . . . . 0.0 113.853 172.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -74.82 -43.23 55.72 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.742 1.61 . . . . 0.0 111.021 169.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 -66.43 -46.55 76.12 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.464 1.506 . . . . 0.0 113.997 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.36 151.43 32.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.655 1.182 . . . . 0.0 113.02 -177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.8 t -67.66 154.04 42.37 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.621 1.169 . . . . 0.0 111.97 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -56.53 -29.35 61.8 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 120.959 -1.088 . . . . 0.0 112.526 168.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.408 HD21 HG22 ' A' ' 32' ' ' ILE . 36.2 m120 -62.52 -44.85 95.35 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.476 -0.765 . . . . 0.0 112.348 170.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -69.15 -40.7 78.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.793 1.237 . . . . 0.0 112.081 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.9 -42.36 93.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.822 1.249 . . . . 0.0 112.166 174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.57 -45.86 90.99 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.699 0.681 . . . . 0.0 112.227 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.08 76.66 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.27 -37.71 86.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.268 0.94 . . . . 0.0 111.83 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.23 90.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.684 0.793 . . . . 0.0 111.856 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.45 -45.43 79.81 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.597 0.759 . . . . 0.0 110.731 175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -61.08 -46.29 91.26 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.807 0.843 . . . . 0.0 113.023 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.36 -23.36 62.78 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -77.4 -37.56 51.65 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.05 0.94 . . . . 0.0 112.617 171.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.7 -36.11 83.22 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.396 1.078 . . . . 0.0 112.719 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -80.79 -35.89 32.48 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 176.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.22 -25.47 63.41 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 120.719 -1.238 . . . . 0.0 113.139 -173.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.05 -7.65 58.97 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.633 1.345 . . . . 0.0 114.633 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -121.84 -17.18 7.43 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -70.61 162.87 28.14 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 119.567 1.076 . . . . 0.0 112.46 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.828 176.605 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -66.25 -23.55 52.01 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.228 2.619 . . . . 0.0 113.532 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.96 4.25 81.0 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.664 1.602 . . . . 0.0 115.872 175.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 84.4 p -142.21 170.92 14.79 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.213 1.506 . . . . 0.0 113.016 -177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -67.95 -21.94 65.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.61 152.08 0.11 Allowed Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 128.273 2.629 . . . . 0.0 115.763 -177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.56 148.29 91.66 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.652 2.901 . . . . 0.0 113.981 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.7 -29.65 14.7 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.88 1.272 . . . . 0.0 112.042 161.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -86.55 42.59 1.02 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.46 1.904 . . . . 0.0 111.801 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 18.9 p -60.01 157.45 12.79 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.753 1.621 . . . . 0.0 113.515 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -58.84 -45.23 90.54 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.251 1.02 . . . . 0.0 111.039 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.69 -39.62 92.1 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.443 -0.786 . . . . 0.0 111.959 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -65.19 -46.23 81.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.965 0.506 . . . . 0.0 112.149 176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -70.57 -45.37 65.52 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -64.78 -28.36 44.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 125.384 1.473 . . . . 0.0 112.548 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -79.0 -20.28 49.49 Favored 'General case' 0 CA--C 1.549 0.911 0 O-C-N 121.029 -1.044 . . . . 0.0 113.752 170.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -90.16 -32.66 9.49 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.034 1.302 . . . . 0.0 115.09 -175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.45 175.48 4.73 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.406 1.882 . . . . 0.0 113.562 177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.7 168.12 10.31 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.198 1.399 . . . . 0.0 113.353 174.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.75 -24.86 64.39 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 120.532 -1.355 . . . . 0.0 114.176 -177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -66.93 -32.66 74.06 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.524 -0.735 . . . . 0.0 112.686 172.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -72.13 -38.49 69.24 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.664 1.186 . . . . 0.0 111.543 173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.04 -47.64 82.13 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.413 0.685 . . . . 0.0 110.185 172.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.23 75.65 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.83 90.47 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.34 -30.27 20.93 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.22 -39.03 34.21 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.255 1.022 . . . . 0.0 112.491 172.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.33 -134.79 33.69 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.604 0.621 . . . . 0.0 111.929 -174.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -60.46 -21.31 62.2 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -75.92 -7.27 54.16 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.66 137.71 58.15 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.082 -1.012 . . . . 0.0 111.727 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.416 HG22 HD21 ' B' ' 170' ' ' ASN . 2.6 tp -64.13 143.87 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 123.686 0.794 . . . . 0.0 112.599 -172.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -84.83 -10.02 57.58 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -80.02 -18.47 50.13 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.615 1.166 . . . . 0.0 113.889 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.15 151.27 2.76 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 125.277 1.418 . . . . 0.0 114.183 -171.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -86.22 -9.19 76.98 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.677 1.132 . . . . 0.0 115.209 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.97 -24.42 66.84 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 118.509 1.155 . . . . 0.0 115.743 -170.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 24.6 m -63.17 -19.92 64.93 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.646 1.178 . . . . 0.0 113.985 176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -78.29 -11.88 84.88 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.831 1.205 . . . . 0.0 114.98 173.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -61.4 122.41 29.18 Favored Glycine 0 CA--C 1.538 1.524 0 CA-C-N 118.644 1.222 . . . . 0.0 112.95 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 72.02 3.98 57.75 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.817 1.199 . . . . 0.0 115.312 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 16.1 t -72.0 154.7 41.0 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.971 1.386 . . . . 0.0 113.041 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 72.23 41.42 53.35 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.18 0.895 . . . . 0.0 115.08 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -68.53 163.84 48.97 Favored Glycine 0 CA--C 1.54 1.64 0 CA-C-N 118.421 1.111 . . . . 0.0 114.593 175.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 78.73 -176.29 54.57 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.719 1.152 . . . . 0.0 114.465 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 98.6 p -156.6 170.94 21.24 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.519 1.528 . . . . 0.0 112.134 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 44.2 tpp -147.91 150.5 34.21 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.3 1.44 . . . . 0.0 111.66 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -68.27 163.35 23.09 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.854 1.262 . . . . 0.0 113.683 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -64.06 148.4 95.34 Favored Pre-proline 0 N--CA 1.486 1.34 0 C-N-CA 124.127 0.971 . . . . 0.0 112.209 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.28 171.38 6.57 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 124.011 3.141 . . . . 0.0 114.508 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.6 p -67.52 -13.79 62.36 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.626 1.17 . . . . 0.0 114.017 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 40.4 t -141.08 107.92 5.39 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.08 1.752 . . . . 0.0 109.601 168.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 73.7 m -83.54 86.39 7.11 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.256 1.022 . . . . 0.0 111.982 -172.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -66.3 -44.66 82.84 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 123.956 0.902 . . . . 0.0 110.962 173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 91.96 -66.21 2.21 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 126.419 1.961 . . . . 0.0 113.643 163.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -61.35 -28.81 69.49 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.912 1.285 . . . . 0.0 113.684 -175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -81.8 -58.96 2.76 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 127.236 2.214 . . . . 0.0 111.404 -176.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -71.76 -40.59 69.22 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -169.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -65.21 -42.01 93.93 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.751 -0.593 . . . . 0.0 111.741 177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -66.77 -50.06 63.92 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.246 1.018 . . . . 0.0 111.953 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.19 -40.28 85.21 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.096 0.558 . . . . 0.0 111.955 175.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 47.2 t -61.25 -51.23 69.82 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.933 0.893 . . . . 0.0 112.264 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -62.12 -45.82 91.76 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.071 -1.018 . . . . 0.0 112.141 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -30.25 71.4 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 118.9 -0.572 . . . . 0.0 112.49 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 18.7 p -69.53 -26.38 64.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.723 1.147 . . . . 0.0 113.438 173.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 26.4 mtp-105 -88.41 -33.12 18.0 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.321 1.448 . . . . 0.0 113.376 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.33 153.64 42.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.764 1.226 . . . . 0.0 113.098 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.2 t -66.03 157.16 31.69 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.4 . . . . 0.0 113.303 176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -53.83 -39.77 65.87 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.64 1.576 . . . . 0.0 112.148 169.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.416 HD21 HG22 ' B' ' 132' ' ' ILE . 16.9 m120 -70.04 -40.68 74.98 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.013 0.925 . . . . 0.0 112.292 176.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -66.3 -40.16 89.8 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.143 0.977 . . . . 0.0 112.524 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.11 -44.86 92.0 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.705 1.202 . . . . 0.0 112.234 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 56.8 mtm -61.74 -44.06 97.64 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.727 0.411 . . . . 0.0 111.708 174.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -67.84 -46.47 71.71 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.95 -39.35 93.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.388 0.994 . . . . 0.0 111.539 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.59 -41.54 96.18 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.378 1.071 . . . . 0.0 112.214 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -65.45 -45.74 82.61 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.502 -0.749 . . . . 0.0 110.86 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -62.21 -45.27 94.08 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.349 -0.844 . . . . 0.0 113.264 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.85 -25.17 63.61 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.926 0.785 . . . . 0.0 112.788 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -75.01 -34.75 61.97 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.265 1.026 . . . . 0.0 112.157 171.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -70.69 -35.66 72.91 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.441 1.096 . . . . 0.0 112.683 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -80.61 -36.71 32.33 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -67.78 -24.13 65.29 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.305 -0.872 . . . . 0.0 112.99 -173.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.5 -5.2 59.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -126.78 -12.06 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -68.51 161.83 26.97 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 119.782 1.174 . . . . 0.0 112.888 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 C-N-CA 125.445 1.498 . . . . 0.0 114.198 179.581 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 CA-C-O 119.455 -0.636 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -59.57 159.35 24.22 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 124.542 3.495 . . . . 0.0 114.705 179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.24 -160.52 16.17 Favored Glycine 0 CA--C 1.535 1.344 0 C-N-CA 125.179 1.371 . . . . 0.0 113.648 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.9 t -138.44 150.27 46.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.461 1.504 . . . . 0.0 111.377 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -136.15 -9.04 2.02 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -158.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.72 143.16 94.2 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 125.032 1.333 . . . . 0.0 113.858 -174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.16 166.02 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 124.007 3.138 . . . . 0.0 113.536 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.99 -7.29 3.5 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.138 1.775 . . . . 0.0 113.781 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -138.36 35.88 2.28 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.665 1.986 . . . . 0.0 111.74 -166.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.9 p -55.55 157.75 3.78 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.377 1.471 . . . . 0.0 114.378 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -59.95 -32.53 70.9 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.14 1.376 . . . . 0.0 112.508 -179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.12 -45.28 91.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.86 1.264 . . . . 0.0 111.993 -174.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -73.71 -27.94 61.46 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.866 0.866 . . . . 0.0 113.082 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -70.76 -45.43 64.81 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.955 -1.09 . . . . 0.0 111.827 173.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -66.99 -24.53 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.62 1.568 . . . . 0.0 112.497 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -80.21 -21.12 43.25 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 169.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.54 -29.78 11.64 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.323 0.963 . . . . 0.0 115.321 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 pp -70.43 173.2 7.21 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.011 1.725 . . . . 0.0 113.667 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.44 167.27 10.44 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.776 1.23 . . . . 0.0 113.166 175.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -60.72 -25.33 66.36 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.01 -32.35 73.77 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.747 0.819 . . . . 0.0 112.566 172.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -72.25 -35.74 68.88 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.393 1.077 . . . . 0.0 111.71 174.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.08 -50.29 64.61 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.702 0.801 . . . . 0.0 110.864 172.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -33.57 70.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.151 0.98 . . . . 0.0 113.309 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.1 75.15 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 177.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.17 -27.03 13.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 -40.02 62.86 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.31 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.17 -127.06 44.19 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.174 0.892 . . . . 0.0 113.418 175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -63.08 -24.38 67.88 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.125 0.97 . . . . 0.0 113.538 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -83.68 4.57 28.04 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.987 1.315 . . . . 0.0 114.528 175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -60.32 146.53 43.72 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.058 -1.026 . . . . 0.0 112.111 173.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp -64.54 151.31 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.279 1.431 . . . . 0.0 113.207 -171.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -114.92 12.09 16.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.221 1.408 . . . . 0.0 114.178 -175.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -72.3 166.79 21.77 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.362 1.065 . . . . 0.0 112.244 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.27 -8.76 66.41 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.574 1.083 . . . . 0.0 115.784 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.02 -62.19 3.33 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 126.059 1.79 . . . . 0.0 114.591 176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.86 -164.33 39.45 Favored Glycine 0 CA--C 1.542 1.746 0 C-N-CA 124.759 1.171 . . . . 0.0 114.024 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.4 m -67.87 145.92 54.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.236 1.015 . . . . 0.0 113.027 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.19 170.1 30.66 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.91 1.243 . . . . 0.0 113.968 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 173.57 146.21 5.43 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.621 1.105 . . . . 0.0 113.179 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.39 151.05 32.38 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 123.966 0.793 . . . . 0.0 113.654 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 t -109.15 12.92 24.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.424 1.49 . . . . 0.0 113.618 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.37 7.34 87.74 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.493 1.52 . . . . 0.0 114.756 -175.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.24 -173.5 54.92 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.989 1.28 . . . . 0.0 116.071 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.96 -155.49 50.86 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.793 1.187 . . . . 0.0 114.349 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.8 t 59.39 95.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 127.157 2.183 . . . . 0.0 113.02 -172.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 10.5 tpt -150.08 150.48 31.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.784 1.234 . . . . 0.0 112.244 -171.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.37 154.65 39.53 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.964 0.906 . . . . 0.0 112.812 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -67.69 146.98 98.68 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.549 1.14 . . . . 0.0 112.609 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.94 163.68 38.38 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.487 2.792 . . . . 0.0 113.202 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.0 p -136.67 150.85 48.71 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.762 1.625 . . . . 0.0 111.39 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.3 m -78.51 -28.89 46.34 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -166.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 p -73.23 -47.81 40.24 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.473 1.109 . . . . 0.0 112.321 -177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 56.7 p-10 -156.77 166.69 32.66 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.537 1.935 . . . . 0.0 111.152 167.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 167.87 -25.88 0.13 Allowed Glycine 0 CA--C 1.533 1.214 0 N-CA-C 115.969 1.148 . . . . 0.0 115.969 177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -58.66 -42.78 89.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 118.929 1.365 . . . . 0.0 112.539 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -71.14 -43.29 67.85 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.56 1.544 . . . . 0.0 112.061 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.04 -45.76 66.45 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.009 1.324 . . . . 0.0 112.144 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.5 -41.74 79.6 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.009 0.924 . . . . 0.0 112.085 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -64.54 -48.02 76.65 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.796 0.838 . . . . 0.0 111.542 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD23 ' H ' ' B' ' 130' ' ' GLU . 37.8 tp -60.61 -42.32 96.59 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.737 0.699 . . . . 0.0 112.34 174.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -66.18 -27.81 68.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -80.2 -45.32 18.25 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.707 0.803 . . . . 0.0 111.023 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mp -63.21 -34.66 78.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.768 0.827 . . . . 0.0 112.83 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.4 p -65.53 -32.23 73.72 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.434 1.015 . . . . 0.0 112.376 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 -79.43 -31.07 42.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.625 1.57 . . . . 0.0 113.569 176.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -68.45 148.56 50.45 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.254 1.022 . . . . 0.0 113.056 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -71.94 159.7 33.79 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.626 1.571 . . . . 0.0 112.924 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -53.21 -38.74 63.14 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.245 1.418 . . . . 0.0 112.614 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.02 -40.46 87.26 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.485 0.714 . . . . 0.0 112.751 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -37.06 77.18 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.472 1.109 . . . . 0.0 112.535 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.6 mt -62.52 -43.14 99.55 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.708 1.203 . . . . 0.0 112.125 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 63.3 mtm -59.21 -47.0 86.96 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.02 0.373 . . . . 0.0 111.787 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.56 72.38 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.71 -39.88 94.4 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 119.898 1.226 . . . . 0.0 111.313 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.84 -41.92 86.61 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.943 1.297 . . . . 0.0 112.101 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.98 -46.57 84.03 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.648 -0.658 . . . . 0.0 111.049 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -61.75 -46.18 90.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.615 0.766 . . . . 0.0 112.427 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.91 -25.96 65.75 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.57 1.077 . . . . 0.0 113.399 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -74.92 -38.9 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.645 1.178 . . . . 0.0 112.881 169.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -65.46 -39.69 92.3 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.999 0.92 . . . . 0.0 111.926 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -80.64 -27.19 37.29 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -76.88 -30.77 56.36 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.872 1.215 . . . . 0.0 113.571 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.39 -12.38 60.05 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -106.38 9.16 31.9 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.05 1.34 . . . . 0.0 113.917 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -65.56 145.36 56.18 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.959 0.904 . . . . 0.0 112.554 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.283 0 C-N-CA 125.467 1.508 . . . . 0.0 113.407 175.622 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.48 150.15 77.38 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 124.107 3.205 . . . . 0.0 114.818 -178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.81 -167.71 43.81 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.681 1.134 . . . . 0.0 114.402 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 27.3 t 65.73 150.2 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 128.01 2.524 . . . . 0.0 116.058 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -81.04 -6.11 58.41 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.098 1.759 . . . . 0.0 113.676 171.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 66.91 147.86 0.11 Allowed Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 128.663 2.785 . . . . 0.0 113.748 -166.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.27 147.82 73.04 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.886 2.391 . . . . 0.0 113.944 -171.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -115.35 -14.09 11.65 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.463 1.905 . . . . 0.0 112.918 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 45.4 p-10 -89.9 21.99 3.36 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.537 1.935 . . . . 0.0 112.922 176.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 41.9 p -56.25 148.26 18.88 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.741 1.616 . . . . 0.0 113.388 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -61.13 -29.16 69.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.903 1.681 . . . . 0.0 113.843 -167.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.97 -30.57 68.02 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.261 1.425 . . . . 0.0 112.558 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.6 t -63.3 -35.6 80.9 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.203 1.001 . . . . 0.0 112.326 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -72.03 -45.21 61.71 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.551 0.74 . . . . 0.0 111.624 174.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 43.2 mm -67.02 -31.22 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.334 1.054 . . . . 0.0 112.311 -176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -72.69 -25.82 61.39 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.955 0.902 . . . . 0.0 113.221 171.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.51 -27.86 10.21 Favored Glycine 0 CA--C 1.54 1.607 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 -172.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 pp -72.44 177.17 4.77 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.869 1.668 . . . . 0.0 114.372 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.52 172.38 7.69 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.851 1.66 . . . . 0.0 112.884 173.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -60.85 -27.13 67.87 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.25 -29.72 70.02 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.112 -0.992 . . . . 0.0 113.264 171.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -75.28 -36.75 61.14 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.712 0.805 . . . . 0.0 111.627 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.18 -43.62 94.55 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.315 0.646 . . . . 0.0 110.632 174.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.78 69.92 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 174.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.84 -43.64 53.45 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -31.63 27.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 11.0 mp -79.08 -61.23 2.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.331 0.969 . . . . 0.0 110.837 165.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 70.21 -71.69 0.6 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.026 1.298 . . . . 0.0 112.7 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -144.72 124.79 13.6 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.152 2.181 . . . . 0.0 108.156 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.415 ' H ' HD23 ' A' ' 61' ' ' LEU . 40.0 mm-40 -83.82 81.02 8.95 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 131.263 3.825 . . . . 0.0 114.457 1.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -66.03 152.3 44.94 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 120.156 -1.59 . . . . 0.0 111.216 158.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.491 HG22 HD21 ' B' ' 170' ' ' ASN . 7.4 tp -62.61 146.38 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -173.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -109.85 51.22 0.76 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.686 1.595 . . . . 0.0 111.111 173.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 61.4 17.16 8.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.448 1.899 . . . . 0.0 115.072 -177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -75.08 -4.31 72.14 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.553 1.549 . . . . 0.0 114.838 175.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.9 166.66 39.59 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.922 1.725 . . . . 0.0 112.172 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 169.98 -166.93 40.1 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.842 0.735 . . . . 0.0 114.078 -178.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 85.5 p -84.87 16.3 3.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.548 1.939 . . . . 0.0 114.742 -177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -73.79 49.01 1.68 Allowed Glycine 0 CA--C 1.539 1.543 0 C-N-CA 126.798 2.142 . . . . 0.0 116.596 -172.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 78.97 176.34 48.13 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.178 1.371 . . . . 0.0 114.862 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.81 6.46 72.56 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.652 1.12 . . . . 0.0 115.462 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 80.1 p -69.77 168.91 14.04 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.667 1.587 . . . . 0.0 114.092 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -70.67 -171.69 10.81 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 125.149 1.357 . . . . 0.0 114.963 178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -65.55 157.12 48.05 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 124.236 0.922 . . . . 0.0 114.743 -173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.53 170.45 45.72 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.473 1.035 . . . . 0.0 114.586 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 23.3 t -67.41 152.86 44.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.362 1.065 . . . . 0.0 112.826 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 67.2 ttp -144.69 133.5 22.4 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.781 1.632 . . . . 0.0 110.995 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -94.57 -3.05 50.44 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -174.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -71.53 144.63 89.12 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 124.481 1.113 . . . . 0.0 112.266 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.39 155.37 52.62 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.383 2.722 . . . . 0.0 114.107 178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 36.6 p -74.42 -18.06 60.71 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.963 1.305 . . . . 0.0 113.515 172.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 21.3 t 64.16 -53.15 0.26 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.431 2.693 . . . . 0.0 114.902 -171.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 82.0 p -155.08 152.08 29.11 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.78 1.632 . . . . 0.0 111.07 172.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 49.69 -114.17 0.69 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.04 1.736 . . . . 0.0 112.632 -174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.71 0.41 68.19 Favored Glycine 0 CA--C 1.535 1.303 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 170.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -56.13 -41.08 74.76 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.208 1.504 . . . . 0.0 112.372 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.95 -39.78 79.31 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.931 1.293 . . . . 0.0 112.702 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -71.94 -42.74 66.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.585 0.754 . . . . 0.0 112.198 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -62.06 -39.35 92.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.576 1.15 . . . . 0.0 111.656 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.66 -53.92 12.02 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.223 -0.923 . . . . 0.0 112.159 174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.79 -38.47 90.76 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.08 -1.012 . . . . 0.0 113.48 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 83.2 p -67.6 -20.53 65.37 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 78.8 mtt-85 -82.35 -50.26 9.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.696 1.198 . . . . 0.0 110.358 169.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.2 -28.92 70.02 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.599 -0.688 . . . . 0.0 112.652 -178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 77.9 p -69.38 -31.13 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.939 -1.101 . . . . 0.0 113.673 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 18.5 ptt-85 -95.8 -21.4 18.15 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.24 150.15 49.25 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.865 1.266 . . . . 0.0 112.314 172.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 27.2 t -76.1 162.1 28.3 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.581 1.552 . . . . 0.0 113.018 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -51.84 -43.71 63.31 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.541 1.537 . . . . 0.0 112.419 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.491 HD21 HG22 ' B' ' 132' ' ' ILE . 12.8 m120 -64.76 -42.18 95.33 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.093 0.957 . . . . 0.0 113.127 175.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -66.51 -38.66 87.69 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.509 0.724 . . . . 0.0 112.16 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.57 -43.27 99.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.318 1.047 . . . . 0.0 112.217 174.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 75.7 mtm -64.27 -40.97 97.06 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 122.584 0.354 . . . . 0.0 111.934 172.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.79 -45.98 69.87 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -178.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.5 pp -63.61 -40.34 96.67 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.24 0.927 . . . . 0.0 111.263 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.4 -42.14 88.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.829 1.251 . . . . 0.0 112.089 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.48 -48.3 78.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.629 0.772 . . . . 0.0 111.728 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -60.84 -45.17 95.54 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.436 -0.79 . . . . 0.0 112.623 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.38 -24.34 62.94 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.064 0.847 . . . . 0.0 113.122 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -75.66 -37.75 59.35 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.254 1.022 . . . . 0.0 112.873 170.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -65.3 -34.48 78.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.902 0.881 . . . . 0.0 112.827 -177.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -84.4 -33.43 23.77 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.11 -23.55 62.12 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.801 -1.187 . . . . 0.0 113.214 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -79.05 -7.87 58.48 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 175.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -123.14 -19.54 5.99 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -70.09 157.45 37.54 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 119.608 1.094 . . . . 0.0 112.955 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.454 0 C-N-CA 125.52 1.533 . . . . 0.0 113.729 179.072 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 CA-C-O 119.829 -0.428 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.09 147.07 96.74 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.89 3.06 . . . . 0.0 113.885 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.22 159.95 14.92 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.794 1.188 . . . . 0.0 113.267 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.1 m -72.44 138.75 47.32 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.111 0.964 . . . . 0.0 112.651 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 16.9 m-30 -84.69 -4.0 58.81 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.91 151.31 0.12 Allowed Pre-proline 0 CA--C 1.555 1.162 0 C-N-CA 128.512 2.725 . . . . 0.0 113.882 -169.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -66.0 151.33 84.24 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.034 2.49 . . . . 0.0 113.14 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -115.9 -5.16 12.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.554 1.542 . . . . 0.0 114.409 -173.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -138.91 2.84 2.18 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -173.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -68.73 -36.34 78.29 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.69 -1.256 . . . . 0.0 112.196 172.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -69.12 -36.53 77.6 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.313 0.645 . . . . 0.0 111.421 176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.75 -45.29 90.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.836 1.254 . . . . 0.0 110.507 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 m -69.73 -28.45 65.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.913 0.885 . . . . 0.0 112.234 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -68.91 -46.04 69.32 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.176 0.99 . . . . 0.0 112.066 169.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.2 mm -59.76 -32.35 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.6 1.16 . . . . 0.0 112.428 175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -75.85 -19.92 58.51 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.82 -44.15 5.83 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.977 1.275 . . . . 0.0 113.717 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.82 159.75 33.26 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.733 1.213 . . . . 0.0 113.449 177.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.01 175.96 5.33 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.4 1.08 . . . . 0.0 113.782 -172.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 p-10 -60.85 -28.57 68.94 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -66.71 -33.5 75.77 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.468 -0.77 . . . . 0.0 112.589 171.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -76.8 -37.57 55.53 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.281 1.032 . . . . 0.0 111.781 175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.89 -47.14 87.74 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.663 0.785 . . . . 0.0 110.995 171.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.25 -31.92 72.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.488 -0.757 . . . . 0.0 112.992 175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.96 -36.84 80.77 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 113.051 175.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.13 -28.66 16.18 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.0 mp -82.7 -33.19 27.68 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.849 1.259 . . . . 0.0 112.67 171.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.72 -136.08 35.89 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.77 1.176 . . . . 0.0 113.084 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -60.76 -23.58 65.09 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.578 1.151 . . . . 0.0 113.447 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -92.23 12.03 23.73 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.037 1.335 . . . . 0.0 114.453 178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -57.2 139.15 53.5 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.876 -1.14 . . . . 0.0 110.403 162.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -61.27 146.8 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.523 0.729 . . . . 0.0 112.711 -171.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -95.92 0.14 51.56 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.187 1.181 . . . . 0.0 114.187 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -93.27 156.62 16.7 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.8 1.64 . . . . 0.0 112.679 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.01 39.28 1.81 Allowed Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.357 1.456 . . . . 0.0 114.463 178.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.46 169.62 46.93 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 125.817 1.675 . . . . 0.0 114.888 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.42 -169.38 39.77 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.02 1.295 . . . . 0.0 113.055 -178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 86.3 p -73.06 -22.17 60.65 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.63 14.36 82.52 Favored Glycine 0 CA--C 1.54 1.611 0 C-N-CA 124.507 1.051 . . . . 0.0 114.251 -171.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.3 -151.48 40.22 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-N 118.536 1.168 . . . . 0.0 113.196 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.1 41.45 95.04 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.597 0.618 . . . . 0.0 113.46 -178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -54.92 142.66 28.81 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.77 1.628 . . . . 0.0 113.817 -171.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.07 178.87 43.03 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.481 1.039 . . . . 0.0 114.754 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -178.22 -166.9 35.31 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 125.528 1.537 . . . . 0.0 112.96 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.21 -9.87 38.07 Favored Glycine 0 CA--C 1.543 1.797 0 C-N-CA 124.835 1.207 . . . . 0.0 115.922 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.9 p -72.35 -21.17 61.35 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.097 1.359 . . . . 0.0 113.698 171.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 57.5 ttm -74.86 139.3 43.07 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.675 1.19 . . . . 0.0 111.242 174.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -148.84 152.06 35.83 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.841 1.256 . . . . 0.0 112.863 -175.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -70.52 154.51 94.37 Favored Pre-proline 0 N--CA 1.477 0.897 0 C-N-CA 126.166 1.786 . . . . 0.0 112.483 175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -62.07 148.12 93.79 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 122.425 2.083 . . . . 0.0 112.209 168.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 t -75.65 -15.37 60.33 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.8 p -137.92 175.42 9.6 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.477 1.911 . . . . 0.0 112.033 -171.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.2 m -68.14 -31.42 70.97 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.616 1.167 . . . . 0.0 113.651 -173.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.2 p-10 -78.3 163.65 25.54 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.734 1.614 . . . . 0.0 112.446 171.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.14 1.63 81.57 Favored Glycine 0 CA--C 1.537 1.445 0 O-C-N 121.389 -0.819 . . . . 0.0 114.43 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -57.81 -37.64 74.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.591 1.156 . . . . 0.0 111.991 175.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -34.65 77.74 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.501 1.121 . . . . 0.0 113.07 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -74.05 -44.61 53.65 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.888 0.875 . . . . 0.0 111.102 175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.38 -46.79 87.68 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.779 1.232 . . . . 0.0 111.798 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -62.06 -53.57 53.61 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.589 1.155 . . . . 0.0 111.728 176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.96 -36.78 85.48 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.321 -0.862 . . . . 0.0 112.972 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 t -65.5 -34.48 78.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.73 1.212 . . . . 0.0 113.358 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -80.54 -38.91 28.74 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.725 1.148 . . . . 0.0 112.761 171.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.35 -37.31 67.3 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.272 1.029 . . . . 0.0 113.606 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -66.79 -22.82 66.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 mtt180 -85.7 -25.65 26.38 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.293 1.837 . . . . 0.0 112.903 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.53 150.19 47.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.571 1.548 . . . . 0.0 111.532 175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 54.7 p -69.46 167.84 15.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.955 0.902 . . . . 0.0 112.539 171.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -57.89 -38.12 75.22 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.516 -0.74 . . . . 0.0 111.885 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -65.85 -43.3 88.87 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.678 -0.639 . . . . 0.0 112.05 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.37 -39.38 89.07 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.594 0.758 . . . . 0.0 112.214 175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -60.69 -38.74 85.99 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.496 1.118 . . . . 0.0 112.566 174.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 74.9 mtm -70.28 -41.22 73.68 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.877 -0.515 . . . . 0.0 112.281 171.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.18 -39.77 82.42 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -177.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.42 -38.0 88.62 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.042 0.837 . . . . 0.0 111.322 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.67 93.77 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.371 1.068 . . . . 0.0 112.305 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.75 -50.01 75.2 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.522 1.129 . . . . 0.0 111.192 174.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -60.46 -47.65 85.21 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.657 0.783 . . . . 0.0 112.764 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.05 -24.15 64.14 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.34 -40.73 50.53 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.057 0.844 . . . . 0.0 112.377 170.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -64.8 -37.92 89.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.495 0.718 . . . . 0.0 111.981 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -80.12 -26.73 39.33 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -78.62 -32.28 47.4 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.114 1.325 . . . . 0.0 113.266 -176.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.26 -17.61 60.27 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -94.78 3.18 55.32 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -64.91 146.42 54.96 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.053 -1.029 . . . . 0.0 112.734 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 C-N-CA 125.424 1.488 . . . . 0.0 112.653 173.9 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 CA-C-O 119.795 -0.447 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.19 168.36 22.33 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 124.363 3.375 . . . . 0.0 113.103 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.93 -160.52 48.53 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.274 0.94 . . . . 0.0 113.952 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -65.75 146.57 54.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.072 0.949 . . . . 0.0 112.826 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -76.28 -12.17 60.03 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.154 1.382 . . . . 0.0 114.297 -174.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -147.82 161.67 34.25 Favored Pre-proline 0 CA--C 1.553 1.096 0 C-N-CA 126.703 2.001 . . . . 0.0 112.076 177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.51 148.78 79.25 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.858 3.039 . . . . 0.0 113.95 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -96.78 -29.25 13.87 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.066 1.347 . . . . 0.0 112.318 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.05 44.97 1.01 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.071 1.748 . . . . 0.0 111.542 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 34.0 p -46.91 115.41 1.06 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.924 1.689 . . . . 0.0 112.845 -174.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -74.58 -45.67 43.72 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -154.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.11 -32.39 73.94 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.717 -0.614 . . . . 0.0 112.084 -176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 m -75.32 -43.8 48.85 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.133 0.973 . . . . 0.0 112.614 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.29 -48.33 61.92 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.166 0.986 . . . . 0.0 112.743 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -66.6 -24.36 32.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 125.316 1.446 . . . . 0.0 112.697 -178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -80.17 -25.46 39.77 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.903 -1.123 . . . . 0.0 113.895 170.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -80.07 -36.03 25.8 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.041 0.829 . . . . 0.0 114.171 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.4 pp -76.83 176.72 8.26 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.741 1.617 . . . . 0.0 113.225 175.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.44 178.44 6.72 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.148 1.379 . . . . 0.0 113.309 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -58.93 -30.05 67.56 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -64.93 -33.42 75.97 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.38 -0.825 . . . . 0.0 112.507 174.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -78.01 -36.11 49.15 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.526 1.13 . . . . 0.0 111.711 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.32 -45.24 94.11 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.622 -0.674 . . . . 0.0 110.935 172.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.96 73.39 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 174.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.7 -42.2 74.4 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.943 0.792 . . . . 0.0 112.703 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.87 -32.99 30.79 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.5 mp -77.02 -38.31 53.17 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.754 1.161 . . . . 0.0 112.144 169.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.1 -132.29 30.8 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 123.528 0.585 . . . . 0.0 111.95 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.65 -16.6 61.41 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.82 -1.7 40.07 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.928 1.291 . . . . 0.0 113.99 173.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.09 150.65 42.14 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.421 HD13 ' HE2' ' B' ' 169' ' ' LYS . 8.6 tp -62.95 142.46 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 123.986 0.915 . . . . 0.0 112.995 -173.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -93.75 52.78 1.73 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.345 1.458 . . . . 0.0 110.587 168.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 62.83 152.8 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 128.043 2.537 . . . . 0.0 114.877 -169.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 173.57 -157.65 26.31 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.845 1.212 . . . . 0.0 113.22 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -165.24 175.19 41.11 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 124.029 0.823 . . . . 0.0 113.557 177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -172.29 -170.96 36.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 120.233 -1.745 . . . . 0.0 113.296 2.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 38.8 t -132.94 141.28 48.26 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.362 1.465 . . . . 0.0 110.813 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -149.84 143.11 10.36 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.425 1.012 . . . . 0.0 112.669 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 97.69 176.47 33.92 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 124.866 1.222 . . . . 0.0 112.502 -164.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -166.26 72.17 0.17 Allowed Glycine 0 CA--C 1.529 0.914 0 C-N-CA 123.975 0.798 . . . . 0.0 112.872 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 83.0 p -154.29 157.96 39.46 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.774 1.63 . . . . 0.0 111.728 -174.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.92 -164.6 39.51 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 128.059 2.742 . . . . 0.0 114.214 -7.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -163.18 161.13 33.72 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.418 1.485 . . . . 0.0 112.232 174.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 61.84 -119.79 19.59 Favored Glycine 0 CA--C 1.532 1.135 0 O-C-N 122.001 -0.705 . . . . 0.0 111.783 -177.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -67.9 -16.67 64.19 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.867 1.267 . . . . 0.0 114.083 174.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 69.8 mtm 62.76 165.62 0.11 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.627 2.371 . . . . 0.0 115.149 -177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -71.5 107.94 4.66 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.145 0.978 . . . . 0.0 111.044 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.22 132.65 76.07 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.681 0.792 . . . . 0.0 111.571 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.45 163.12 34.93 Favored 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 123.27 2.647 . . . . 0.0 112.066 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.9 t -67.63 154.13 42.16 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.734 0.814 . . . . 0.0 111.649 164.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 84.3 p -70.6 -18.27 62.89 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.167 0.987 . . . . 0.0 113.213 172.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 21.6 t -76.56 -35.89 57.93 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.881 1.272 . . . . 0.0 114.17 -175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -162.21 167.15 24.52 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.417 1.487 . . . . 0.0 112.044 -171.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . 164.0 -6.34 0.07 OUTLIER Glycine 0 CA--C 1.535 1.286 0 N-CA-C 116.251 1.261 . . . . 0.0 116.251 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 48.3 p-90 -63.58 -32.56 74.06 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.559 1.68 . . . . 0.0 113.608 -170.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -37.88 27.45 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.109 1.364 . . . . 0.0 112.857 174.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -70.84 -44.57 66.17 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.439 1.096 . . . . 0.0 112.194 -175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -62.57 -46.96 85.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.029 0.932 . . . . 0.0 111.463 176.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -63.66 -48.93 75.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.45 1.1 . . . . 0.0 112.133 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.19 -37.76 88.35 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.421 -0.799 . . . . 0.0 112.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 45.6 t -61.89 -45.87 91.86 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 118.762 0.71 . . . . 0.0 111.675 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -63.51 -49.77 72.25 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.393 1.077 . . . . 0.0 111.728 177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.84 -31.69 72.95 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.761 0.824 . . . . 0.0 112.66 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.4 t -61.49 -38.52 87.61 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.956 -1.09 . . . . 0.0 112.274 173.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -80.08 -27.32 39.3 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.067 1.347 . . . . 0.0 114.609 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.33 155.5 39.36 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.767 1.227 . . . . 0.0 113.056 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 46.6 t -71.71 157.49 37.83 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.094 1.357 . . . . 0.0 113.038 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' B' ' 132' ' ' ILE . 56.5 tttt -54.22 -43.05 70.49 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.391 1.076 . . . . 0.0 111.944 172.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.404 HD21 HG22 ' B' ' 132' ' ' ILE . 24.7 m120 -59.96 -41.66 92.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.62 -40.39 88.76 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.293 0.637 . . . . 0.0 112.161 176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.3 mp -61.66 -42.87 99.51 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.656 0.782 . . . . 0.0 111.785 174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.4 mtm -61.79 -42.45 99.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.603 0.638 . . . . 0.0 112.14 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.23 -48.81 69.35 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.61 -38.58 87.27 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.032 0.833 . . . . 0.0 111.878 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.03 91.03 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.995 0.918 . . . . 0.0 112.37 176.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -61.22 -50.3 73.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.715 0.806 . . . . 0.0 110.634 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.47 -50.48 73.41 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.543 0.737 . . . . 0.0 112.747 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.76 -26.17 65.99 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.044 0.838 . . . . 0.0 112.998 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -79.62 -33.09 41.74 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.224 1.01 . . . . 0.0 112.855 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -68.92 -38.56 79.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.309 1.044 . . . . 0.0 112.601 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -78.83 -33.46 46.05 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.84 -31.12 64.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.974 1.261 . . . . 0.0 113.292 -174.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.0 pp -72.15 -10.76 60.22 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -106.37 1.15 25.49 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.58 1.152 . . . . 0.0 113.797 174.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -72.35 157.38 37.78 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.965 -1.085 . . . . 0.0 112.868 172.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.697 1.618 . . . . 0.0 112.861 177.886 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 CA-C-O 119.524 -0.598 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.26 158.3 58.14 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 124.235 3.29 . . . . 0.0 112.999 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.59 -156.25 40.56 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.069 0.842 . . . . 0.0 113.599 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.6 m -61.95 149.57 40.25 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.927 1.291 . . . . 0.0 113.776 -176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -73.75 -20.32 60.53 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.62 158.62 82.14 Favored Pre-proline 0 CA--C 1.556 1.182 0 C-N-CA 124.821 1.248 . . . . 0.0 114.166 -174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.99 165.54 18.79 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 124.193 3.262 . . . . 0.0 113.78 174.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -89.81 -31.19 17.49 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.514 1.126 . . . . 0.0 113.059 173.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -75.19 -12.06 60.21 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.469 1.107 . . . . 0.0 113.766 -174.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 39.7 p -65.51 -24.08 67.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.013 -1.054 . . . . 0.0 112.727 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -68.96 -39.33 79.54 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.143 -0.973 . . . . 0.0 112.6 172.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.73 -42.0 91.58 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 122.99 0.516 . . . . 0.0 110.62 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 t -61.5 -39.16 89.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.802 0.841 . . . . 0.0 112.764 174.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -67.39 -50.33 60.11 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.133 -0.98 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.0 mm -61.03 -31.75 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.634 1.174 . . . . 0.0 112.44 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.03 -22.48 60.63 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.409 1.083 . . . . 0.0 113.752 171.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.92 -42.91 5.54 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.845 1.212 . . . . 0.0 114.589 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 pp -75.4 165.49 25.06 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.65 1.18 . . . . 0.0 113.154 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 177.08 4.88 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.821 1.248 . . . . 0.0 113.743 -173.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -58.0 -28.98 64.91 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -175.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -67.0 -34.75 78.42 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.078 0.951 . . . . 0.0 112.378 172.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -77.52 -35.23 53.66 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.929 1.291 . . . . 0.0 112.076 174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.2 mt -64.28 -45.21 89.01 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.34 0.656 . . . . 0.0 110.776 172.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.9 72.22 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.211 -0.93 . . . . 0.0 113.155 174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.09 -17.98 63.93 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.84 -30.5 6.73 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.62 -36.43 62.92 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.994 1.318 . . . . 0.0 112.261 170.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.72 -120.88 20.86 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.924 1.25 . . . . 0.0 112.736 177.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -61.03 -24.68 66.36 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -87.99 3.74 47.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.779 1.232 . . . . 0.0 113.322 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.18 142.88 58.22 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.308 -0.87 . . . . 0.0 111.796 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 tp -58.49 149.92 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.944 0.898 . . . . 0.0 113.115 -171.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -103.21 23.42 12.45 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -137.31 154.93 49.97 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.601 1.16 . . . . 0.0 113.524 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.18 175.52 54.91 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.036 1.303 . . . . 0.0 114.197 174.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.82 158.79 51.36 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.448 1.023 . . . . 0.0 113.965 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.35 153.78 52.04 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.736 1.16 . . . . 0.0 114.381 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.3 p -74.51 160.59 30.73 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.621 1.168 . . . . 0.0 113.149 177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.61 79.09 1.58 Allowed Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.732 1.158 . . . . 0.0 112.393 175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.63 166.32 49.14 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.578 1.085 . . . . 0.0 115.274 -178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.7 177.61 43.95 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.771 1.177 . . . . 0.0 114.05 177.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -65.2 134.3 53.38 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 0.0 112.618 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 152.24 163.25 11.43 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.456 1.503 . . . . 0.0 113.257 -178.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.53 168.35 22.32 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.735 1.16 . . . . 0.0 114.033 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.47 146.67 40.98 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.151 0.882 . . . . 0.0 113.187 174.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.0 t -156.9 152.25 26.53 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.353 1.461 . . . . 0.0 111.878 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 60.7 mtt -144.17 142.62 30.65 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.842 1.657 . . . . 0.0 111.428 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -92.0 2.03 56.81 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.711 1.204 . . . . 0.0 113.359 171.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.4 145.15 97.15 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 125.918 1.687 . . . . 0.0 112.358 -175.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.94 146.86 53.99 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.266 2.644 . . . . 0.0 112.419 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.3 p -72.22 147.16 46.77 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.999 0.92 . . . . 0.0 111.907 174.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.9 p -147.45 3.67 0.77 Allowed 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -169.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.9 m -72.44 153.08 41.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.69 1.196 . . . . 0.0 113.592 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.93 157.69 32.64 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.3 1.04 . . . . 0.0 111.903 168.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -60.9 -49.27 80.47 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 120.974 -1.079 . . . . 0.0 114.379 -172.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -64.62 -35.49 81.17 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.162 0.985 . . . . 0.0 111.86 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -70.74 -47.06 61.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.111 1.764 . . . . 0.0 110.876 -176.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -57.99 -51.72 68.51 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.344 1.458 . . . . 0.0 111.775 173.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.97 -37.28 84.2 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -76.9 -53.72 7.51 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.737 0.815 . . . . 0.0 112.026 177.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.24 -36.81 85.29 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.197 -0.939 . . . . 0.0 112.888 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.3 t -62.44 -32.35 73.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.614 0.765 . . . . 0.0 112.65 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -76.02 -47.58 24.26 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.062 -1.024 . . . . 0.0 110.837 173.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -66.6 -23.19 66.15 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.7 p -73.35 -32.79 64.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.006 -1.684 . . . . 0.0 112.873 171.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -79.09 -37.77 37.95 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.393 1.477 . . . . 0.0 113.4 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.9 144.6 56.55 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.54 1.136 . . . . 0.0 112.29 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.2 t -71.03 159.41 34.79 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.289 1.435 . . . . 0.0 112.136 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -43.47 -52.96 5.79 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.003 1.721 . . . . 0.0 112.233 175.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -67.03 -35.76 80.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.632 1.173 . . . . 0.0 112.786 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.21 -40.57 86.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.205 1.002 . . . . 0.0 112.097 175.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.23 -44.22 88.95 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.097 0.959 . . . . 0.0 111.78 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 mtp -58.25 -36.9 73.91 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.742 0.817 . . . . 0.0 112.301 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.97 -50.24 17.32 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -34.88 78.7 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 120.924 -1.11 . . . . 0.0 112.472 -177.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.05 77.88 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.028 0.931 . . . . 0.0 112.563 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.13 -43.37 82.58 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.418 -0.802 . . . . 0.0 110.734 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -55.52 -51.31 67.47 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.373 1.069 . . . . 0.0 112.982 174.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 pp -68.83 -24.37 64.37 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -75.55 -41.63 54.37 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.805 1.242 . . . . 0.0 111.996 171.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -68.56 -33.4 74.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.39 1.076 . . . . 0.0 112.468 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -82.37 -29.58 30.83 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -76.95 -31.39 56.56 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.905 1.23 . . . . 0.0 113.222 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.75 -9.26 53.83 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -177.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -107.01 1.59 24.48 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.865 1.266 . . . . 0.0 114.164 173.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -71.46 150.92 44.44 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.119 -0.988 . . . . 0.0 111.531 170.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 125.422 1.487 . . . . 0.0 112.833 177.438 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -69.67 168.42 21.48 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.177 3.251 . . . . 0.0 112.964 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -171.05 -179.78 42.43 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.223 0.916 . . . . 0.0 113.658 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 79.2 p -153.88 177.25 11.22 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.585 1.554 . . . . 0.0 112.531 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -65.89 -15.87 63.34 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 174.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.87 159.44 0.11 Allowed Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 128.115 2.566 . . . . 0.0 115.317 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -64.93 162.42 32.38 Favored 'Trans proline' 0 C--N 1.354 0.846 0 C-N-CA 123.589 2.859 . . . . 0.0 113.899 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.4 -19.7 24.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.125 1.37 . . . . 0.0 113.068 171.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -114.92 34.57 4.75 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.033 2.133 . . . . 0.0 112.656 -172.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 80.9 p -59.27 161.13 5.76 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.084 1.354 . . . . 0.0 113.167 176.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 38.5 mp0 -59.57 -39.22 83.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.004 1.322 . . . . 0.0 112.058 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -35.58 80.14 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.798 1.239 . . . . 0.0 112.063 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 26.3 t -63.19 -35.03 78.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.805 0.842 . . . . 0.0 112.358 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -72.48 -48.62 39.33 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.154 -0.967 . . . . 0.0 111.784 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 38.2 mm -64.44 -32.02 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.431 1.092 . . . . 0.0 113.017 -178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -72.63 -20.79 61.21 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.475 1.11 . . . . 0.0 113.878 172.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -95.37 -32.5 6.97 Favored Glycine 0 CA--C 1.543 1.823 0 C-N-CA 124.324 0.964 . . . . 0.0 114.918 -175.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.08 179.98 4.7 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.181 1.392 . . . . 0.0 113.819 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.68 175.01 9.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.837 1.255 . . . . 0.0 113.172 178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.92 -28.33 67.51 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -171.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.65 -33.57 76.2 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.185 -0.947 . . . . 0.0 112.443 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -74.89 -36.16 62.25 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.461 1.104 . . . . 0.0 111.833 174.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.73 -46.55 84.89 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.31 0.644 . . . . 0.0 111.274 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.71 -31.32 71.46 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.82 -21.37 63.39 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 176.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.97 -28.64 7.94 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -75.1 -34.36 61.73 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.64 1.176 . . . . 0.0 111.601 168.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.06 -132.51 42.92 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.921 1.248 . . . . 0.0 113.353 173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -65.93 -16.89 64.27 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.046 0.938 . . . . 0.0 113.332 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -96.24 11.53 34.19 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.604 1.562 . . . . 0.0 113.321 177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -57.45 153.52 12.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.999 1.32 . . . . 0.0 112.344 168.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.07 146.7 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.256 1.022 . . . . 0.0 112.566 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -96.81 3.53 52.2 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -73.04 -16.4 61.49 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.818 1.247 . . . . 0.0 113.823 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.57 -140.15 28.81 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 124.236 0.922 . . . . 0.0 114.162 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.7 -160.32 9.0 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.902 1.239 . . . . 0.0 115.218 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.42 -144.79 17.43 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.314 1.435 . . . . 0.0 112.69 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 73.7 p -66.03 154.14 40.31 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.353 1.061 . . . . 0.0 113.445 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -173.77 -177.11 42.73 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.993 1.282 . . . . 0.0 113.302 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 68.54 -159.86 51.86 Favored Glycine 0 CA--C 1.539 1.593 0 C-N-CA 124.215 0.912 . . . . 0.0 114.196 -176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -75.0 -169.71 25.07 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 124.963 1.268 . . . . 0.0 114.316 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 33.4 t -149.28 131.67 15.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.425 1.09 . . . . 0.0 112.073 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -83.29 -174.3 50.29 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.413 1.483 . . . . 0.0 115.217 -174.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 171.51 179.73 42.74 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.09 1.329 . . . . 0.0 113.335 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.74 140.49 31.74 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 123.719 0.676 . . . . 0.0 112.613 174.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 29.7 t -71.16 143.32 50.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.005 0.922 . . . . 0.0 112.253 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 42.0 ttm -153.65 148.75 26.81 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.466 1.506 . . . . 0.0 110.588 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -75.01 -2.93 29.53 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 77.1 mttt 65.79 142.45 0.07 OUTLIER Pre-proline 0 N--CA 1.484 1.232 0 C-N-CA 129.854 3.261 . . . . 0.0 114.422 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.56 149.29 49.24 Favored 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 123.009 2.473 . . . . 0.0 113.567 -171.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 61.6 p -80.05 -9.65 59.71 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.451 1.1 . . . . 0.0 113.738 171.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 16.1 m -70.24 -9.75 56.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.746 1.618 . . . . 0.0 114.922 -176.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 8.5 t -149.82 168.1 24.67 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.067 1.347 . . . . 0.0 112.398 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -69.26 129.86 41.0 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.448 1.099 . . . . 0.0 112.481 -172.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.97 87.43 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.954 0.788 . . . . 0.0 113.851 -175.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -62.72 -33.64 75.52 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.329 1.051 . . . . 0.0 112.394 177.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -73.21 -53.57 10.6 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 126.397 1.879 . . . . 0.0 110.287 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.88 -47.39 85.19 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.829 0.852 . . . . 0.0 112.869 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -66.59 -49.05 67.63 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.681 -0.637 . . . . 0.0 112.155 -174.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -64.75 -44.53 89.81 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.807 0.843 . . . . 0.0 112.329 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 27.2 tp -67.23 -34.1 76.74 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.31 -0.869 . . . . 0.0 112.297 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 23.7 t -66.03 -44.3 85.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.326 0.65 . . . . 0.0 111.516 171.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -56.22 -48.5 76.32 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.631 1.105 . . . . 0.0 111.165 173.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.2 mp -69.43 -23.87 63.74 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 42.8 t -70.18 -40.24 74.77 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.005 -1.059 . . . . 0.0 111.877 167.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 81.7 mtt-85 -75.14 -41.59 58.03 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.646 1.578 . . . . 0.0 114.86 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.63 156.39 35.27 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.842 1.657 . . . . 0.0 113.066 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 40.2 t -70.76 155.89 40.2 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.965 1.306 . . . . 0.0 112.739 176.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.41 -37.78 57.45 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.104 1.362 . . . . 0.0 112.307 171.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -66.55 -40.41 89.04 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.796 0.838 . . . . 0.0 112.599 174.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.03 -38.87 83.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.016 0.926 . . . . 0.0 112.323 174.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.73 -41.03 94.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.283 1.433 . . . . 0.0 112.085 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.51 -47.29 84.57 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.535 0.607 . . . . 0.0 111.335 169.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.43 76.99 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.28 -38.47 90.36 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.17 0.896 . . . . 0.0 111.233 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.68 92.98 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.982 0.913 . . . . 0.0 111.738 173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -46.5 89.43 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.218 1.007 . . . . 0.0 111.194 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -62.58 -47.86 81.97 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.334 -0.854 . . . . 0.0 112.741 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.45 -23.2 62.67 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.518 1.054 . . . . 0.0 113.512 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -73.82 -40.69 63.16 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.864 1.266 . . . . 0.0 112.187 171.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -69.2 -28.33 66.29 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -175.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -86.7 -35.1 19.47 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 175.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -70.43 -20.87 62.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.106 1.321 . . . . 0.0 113.418 -174.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.7 pp -79.54 -9.94 59.71 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 174.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -124.17 -32.52 3.2 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 48.48 -155.64 0.08 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 126.917 2.087 . . . . 0.0 114.399 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 C-N-CA 125.544 1.545 . . . . 0.0 112.692 -178.842 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 CA-C-O 119.415 -0.658 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -61.01 163.73 15.83 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.096 3.198 . . . . 0.0 114.187 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.97 -168.44 54.11 Favored Glycine 0 CA--C 1.536 1.344 0 C-N-CA 124.133 0.873 . . . . 0.0 114.147 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 56.97 32.07 20.96 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.657 1.583 . . . . 0.0 114.133 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -67.87 -15.78 63.78 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.128 0.971 . . . . 0.0 113.499 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.97 149.88 0.11 Allowed Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 128.897 2.879 . . . . 0.0 115.761 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.55 130.61 19.91 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.138 2.558 . . . . 0.0 113.324 -176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.61 -13.63 42.23 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.044 1.337 . . . . 0.0 113.085 167.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -82.89 2.24 35.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.529 1.932 . . . . 0.0 114.415 -173.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.4 p -57.79 117.64 4.47 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.02 1.328 . . . . 0.0 111.789 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -70.19 -30.92 68.15 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.078 1.511 . . . . 0.0 115.078 -160.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.59 -35.91 82.08 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.198 1.363 . . . . 0.0 111.618 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 m -76.23 -39.17 55.19 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.081 0.953 . . . . 0.0 112.337 173.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -65.55 -47.54 75.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.51 0.724 . . . . 0.0 112.678 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.51 -25.2 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.1 1.36 . . . . 0.0 113.086 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -83.91 -18.89 35.86 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.039 -1.038 . . . . 0.0 113.792 171.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.71 -36.01 8.86 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.926 1.251 . . . . 0.0 114.419 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -73.7 173.39 9.87 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.299 1.44 . . . . 0.0 112.999 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.64 173.54 6.79 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.27 1.028 . . . . 0.0 113.507 -179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.21 -28.51 68.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.322 1.049 . . . . 0.0 113.587 -173.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.688 0.795 . . . . 0.0 112.431 173.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -76.54 -36.92 57.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 111.566 175.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.99 -47.83 84.22 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.065 0.546 . . . . 0.0 110.82 170.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.42 80.42 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.96 92.82 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -90.56 -29.03 18.09 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.97 -39.35 56.15 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.613 1.165 . . . . 0.0 112.086 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.93 -126.54 37.02 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.174 0.892 . . . . 0.0 112.904 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -61.84 -26.16 67.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.438 1.095 . . . . 0.0 113.131 177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -80.89 1.08 32.38 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.925 1.29 . . . . 0.0 113.712 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.6 148.82 36.9 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.156 -0.965 . . . . 0.0 111.862 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -62.67 146.2 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.109 0.963 . . . . 0.0 112.844 -171.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -103.79 9.85 36.81 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.529 1.132 . . . . 0.0 113.562 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -86.72 7.47 26.62 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.463 1.905 . . . . 0.0 113.588 177.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.69 29.88 37.77 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.15 -0.969 . . . . 0.0 114.361 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 89.8 -166.18 32.52 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 125.368 1.461 . . . . 0.0 113.734 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 154.01 52.84 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.463 1.03 . . . . 0.0 115.042 -173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 65.5 m -81.11 156.08 25.95 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.014 1.326 . . . . 0.0 113.431 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.74 171.92 54.94 Favored Glycine 0 CA--C 1.54 1.645 0 C-N-CA 124.257 0.932 . . . . 0.0 113.634 169.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.23 140.08 26.89 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.534 1.064 . . . . 0.0 113.723 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.01 150.04 23.63 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.928 1.251 . . . . 0.0 114.564 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -72.11 -26.69 62.24 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.442 1.097 . . . . 0.0 113.74 178.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.66 -7.64 65.6 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 -175.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.25 12.27 13.77 Favored Glycine 0 CA--C 1.541 1.703 0 C-N-CA 125.295 1.426 . . . . 0.0 115.957 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -73.93 -1.93 60.4 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.976 1.55 . . . . 0.0 116.976 -173.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.9 t -66.25 147.25 53.6 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.387 1.593 . . . . 0.0 112.731 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 96.4 mtp -69.5 138.22 53.2 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.284 1.034 . . . . 0.0 112.894 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -80.95 149.63 29.3 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.422 1.089 . . . . 0.0 112.595 176.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -143.48 154.24 59.84 Favored Pre-proline 0 N--CA 1.482 1.168 0 C-N-CA 126.952 2.101 . . . . 0.0 111.244 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -65.73 159.91 46.16 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 123.343 2.696 . . . . 0.0 113.185 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 80.7 p -68.19 159.51 30.97 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.023 1.329 . . . . 0.0 113.497 -178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -145.49 161.76 38.97 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.445 1.498 . . . . 0.0 110.935 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.2 t 54.13 -126.29 2.32 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.54 1.136 . . . . 0.0 111.049 -170.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -67.73 115.27 7.11 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 120.244 1.384 . . . . 0.0 111.426 173.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.0 -40.66 42.73 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.064 0.84 . . . . 0.0 113.453 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -62.03 -36.88 82.9 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.049 0.94 . . . . 0.0 112.01 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -67.34 -50.21 60.88 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.791 1.636 . . . . 0.0 111.582 -175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -61.8 -51.36 68.61 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.492 0.717 . . . . 0.0 112.478 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -63.43 -48.6 77.1 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.981 0.912 . . . . 0.0 112.496 -173.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -65.29 -51.8 58.37 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.636 0.774 . . . . 0.0 111.935 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -63.9 -37.77 88.63 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.48 -0.762 . . . . 0.0 112.388 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.9 t -63.73 -48.22 77.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.542 0.737 . . . . 0.0 112.015 175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.49 -38.93 85.11 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.432 -0.793 . . . . 0.0 112.728 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.5 -29.32 69.91 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.144 0.884 . . . . 0.0 112.686 174.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.0 -23.11 62.12 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 173.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -82.03 -38.18 25.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.58 1.552 . . . . 0.0 113.528 175.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 mp -65.0 152.85 42.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.752 1.221 . . . . 0.0 113.224 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.0 t -70.65 160.79 31.93 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.144 1.377 . . . . 0.0 113.002 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -55.09 -41.0 71.04 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.931 1.292 . . . . 0.0 111.851 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -65.6 -40.74 93.01 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.293 0.637 . . . . 0.0 112.631 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -68.57 -38.38 80.67 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.164 0.985 . . . . 0.0 112.549 176.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.7 -40.51 95.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.727 1.211 . . . . 0.0 111.976 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.0 mtm -63.06 -45.2 93.31 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 117.971 0.351 . . . . 0.0 111.669 170.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -41.45 71.6 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -174.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.19 -36.83 84.1 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 121.134 -0.979 . . . . 0.0 111.346 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.78 89.27 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.071 0.949 . . . . 0.0 112.044 175.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -62.69 -48.32 79.78 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.559 0.744 . . . . 0.0 110.945 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -62.24 -46.23 89.79 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.34 -27.54 67.97 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.344 0.975 . . . . 0.0 113.119 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -73.74 -38.1 64.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.094 0.958 . . . . 0.0 112.765 170.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -71.65 -34.14 69.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.617 0.767 . . . . 0.0 112.644 -177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -82.98 -27.33 30.52 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -75.84 -27.86 58.0 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 120.225 1.375 . . . . 0.0 113.571 -175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.41 -16.92 59.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -174.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -94.55 2.32 55.67 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.441 1.097 . . . . 0.0 113.853 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -67.11 153.05 44.62 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.016 0.926 . . . . 0.0 112.559 175.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.826 178.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 CA-C-O 119.839 -0.423 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -67.64 -13.25 38.28 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 124.072 3.182 . . . . 0.0 116.109 -174.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 79.7 11.43 84.7 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.367 0.984 . . . . 0.0 113.71 -170.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 97.4 p -150.26 169.95 20.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.836 2.054 . . . . 0.0 111.138 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.88 -32.28 73.5 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.09 141.89 0.05 OUTLIER Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 128.824 2.85 . . . . 0.0 115.35 -172.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.56 149.62 39.22 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.195 2.597 . . . . 0.0 112.773 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -117.25 -21.43 8.76 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.569 1.548 . . . . 0.0 112.823 168.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -74.38 -8.48 56.41 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.61 1.164 . . . . 0.0 114.065 -172.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 33.3 p -65.49 -33.7 76.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.637 1.175 . . . . 0.0 112.894 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -70.37 -43.11 70.81 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.155 -0.965 . . . . 0.0 111.273 174.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.94 -42.87 99.6 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.683 1.193 . . . . 0.0 110.682 176.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 39.6 t -62.61 -40.04 95.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.066 1.346 . . . . 0.0 112.141 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.01 -46.68 73.76 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.126 -0.984 . . . . 0.0 111.999 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 24.0 mm -63.75 -28.06 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.304 1.042 . . . . 0.0 112.457 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.7 -25.11 44.7 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.439 -1.413 . . . . 0.0 114.57 170.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.53 -36.62 29.41 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.228 0.918 . . . . 0.0 114.129 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 4.2 pp -78.01 171.42 15.04 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.389 1.476 . . . . 0.0 112.895 174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.91 177.04 5.46 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.024 1.33 . . . . 0.0 113.626 -177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 49.0 p-10 -58.93 -29.25 66.96 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -173.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -66.21 -34.84 78.93 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.992 0.917 . . . . 0.0 112.369 172.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -77.31 -34.64 55.39 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.217 1.007 . . . . 0.0 112.206 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.28 -48.06 83.16 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.462 0.705 . . . . 0.0 110.409 170.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.43 -33.44 71.26 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.04 -26.71 65.12 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -104.06 -29.71 10.72 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.33 -37.27 68.93 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.887 1.275 . . . . 0.0 111.743 169.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.93 -129.79 38.66 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.129 0.871 . . . . 0.0 112.502 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -64.34 -19.2 65.3 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -85.35 7.4 22.56 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.607 1.163 . . . . 0.0 114.007 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.22 155.81 16.73 Favored 'General case' 0 CA--C 1.551 1.019 0 O-C-N 120.884 -1.135 . . . . 0.0 112.376 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.461 HG22 HD21 ' B' ' 170' ' ' ASN . 7.0 tp -69.77 154.18 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.618 1.167 . . . . 0.0 113.203 -172.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.21 2.46 26.9 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -82.38 149.2 27.83 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.556 1.142 . . . . 0.0 112.919 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -83.41 -13.42 76.38 Favored Glycine 0 CA--C 1.539 1.532 0 N-CA-C 115.867 1.107 . . . . 0.0 115.867 -176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 172.45 -168.5 41.57 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 118.371 1.085 . . . . 0.0 113.998 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -176.85 -164.31 30.51 Favored Glycine 0 CA--C 1.538 1.515 0 C-N-CA 125.433 1.492 . . . . 0.0 113.303 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 8.0 t 57.51 49.65 12.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.281 1.433 . . . . 0.0 113.234 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.2 -15.95 73.09 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.261 1.41 . . . . 0.0 114.193 177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 81.4 -171.97 53.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.068 1.318 . . . . 0.0 113.829 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 175.35 -132.47 2.17 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 123.899 0.762 . . . . 0.0 113.064 -174.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 146.89 54.4 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.005 1.322 . . . . 0.0 113.186 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.13 -159.84 35.92 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 125.374 1.464 . . . . 0.0 114.055 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 79.65 7.29 88.61 Favored Glycine 0 CA--C 1.54 1.632 0 N-CA-C 116.061 1.184 . . . . 0.0 116.061 175.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.37 151.26 49.55 Favored Glycine 0 CA--C 1.538 1.508 0 CA-C-N 118.637 1.219 . . . . 0.0 113.553 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 89.8 p -157.77 153.66 26.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.941 1.297 . . . . 0.0 111.903 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 28.5 ttt -71.79 133.55 45.61 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.506 1.123 . . . . 0.0 112.242 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -78.59 156.35 29.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.374 1.07 . . . . 0.0 112.844 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -77.07 149.25 79.58 Favored Pre-proline 0 N--CA 1.476 0.833 0 C-N-CA 123.715 0.806 . . . . 0.0 110.986 164.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.66 166.58 29.04 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.615 2.877 . . . . 0.0 112.671 172.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.0 t -152.12 149.11 28.44 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.754 1.221 . . . . 0.0 111.609 169.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 60.2 m -79.3 -19.68 49.82 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 171.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 26.4 t -78.64 108.65 12.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.599 0.759 . . . . 0.0 111.271 -177.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 48.85 45.3 22.27 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 123.152 1.453 . . . . 0.0 114.338 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -65.34 -19.19 66.21 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 125.788 1.661 . . . . 0.0 113.949 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -59.58 -38.27 80.72 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.983 1.713 . . . . 0.0 113.353 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -76.75 -39.47 51.65 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.529 1.132 . . . . 0.0 112.934 173.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -72.41 -44.57 62.29 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.711 0.804 . . . . 0.0 112.291 -173.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -66.3 -28.88 69.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.33 1.052 . . . . 0.0 112.559 177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -77.51 -52.13 9.57 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.969 1.308 . . . . 0.0 111.864 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.4 tp -62.64 -36.96 84.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.942 0.897 . . . . 0.0 112.953 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 89.8 p -70.13 -19.78 63.2 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 79.7 mtt-85 -77.47 -49.46 14.73 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.855 -1.153 . . . . 0.0 111.157 161.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.17 -30.98 66.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.373 1.069 . . . . 0.0 113.408 -174.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 93.0 p -68.41 -34.35 75.85 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.399 0.999 . . . . 0.0 113.547 172.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -81.09 -36.62 30.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.76 1.624 . . . . 0.0 113.361 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.38 149.33 50.17 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.698 1.199 . . . . 0.0 112.609 -177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 45.3 t -72.61 156.46 38.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.986 1.314 . . . . 0.0 111.955 176.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -56.05 -35.89 67.42 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.992 -1.068 . . . . 0.0 112.841 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.461 HD21 HG22 ' B' ' 132' ' ' ILE . 16.0 m120 -62.85 -41.17 99.25 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.564 0.746 . . . . 0.0 112.053 173.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.21 -38.29 81.77 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.583 0.753 . . . . 0.0 111.991 174.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.58 -43.58 98.45 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.771 0.714 . . . . 0.0 112.25 174.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.2 mtm -61.23 -41.72 97.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.331 0.514 . . . . 0.0 111.463 173.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.83 -56.76 10.23 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.06 -37.28 82.09 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.181 0.901 . . . . 0.0 112.265 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.15 93.99 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.053 0.941 . . . . 0.0 112.213 176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.24 -42.22 75.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.405 -0.81 . . . . 0.0 110.756 175.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -57.36 -53.17 61.17 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.377 -0.827 . . . . 0.0 112.363 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.99 -27.88 66.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -74.17 -38.0 63.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.686 1.194 . . . . 0.0 112.351 174.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -71.76 -41.86 67.89 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.132 0.973 . . . . 0.0 112.061 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -75.97 -26.44 56.8 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -76.9 -32.23 57.29 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.055 1.298 . . . . 0.0 113.401 -177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.3 pp -78.46 -14.0 59.57 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -94.54 0.24 55.11 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.816 1.246 . . . . 0.0 113.648 175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.54 153.69 43.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.39 1.076 . . . . 0.0 112.396 175.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.38 0 C-N-CA 125.332 1.444 . . . . 0.0 113.397 179.349 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 119.702 -0.499 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -66.28 145.69 78.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.909 3.072 . . . . 0.0 112.79 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.54 155.79 41.97 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.644 1.116 . . . . 0.0 113.995 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -70.83 148.7 47.57 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.67 1.188 . . . . 0.0 112.424 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -72.54 -26.25 61.68 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.93 150.35 0.09 OUTLIER Pre-proline 0 CA--C 1.559 1.318 0 C-N-CA 127.996 2.519 . . . . 0.0 115.481 -173.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -73.51 111.84 3.39 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.766 2.311 . . . . 0.0 112.133 -178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.43 -15.13 60.92 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.637 1.175 . . . . 0.0 112.801 168.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -75.08 -3.92 35.47 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 126.235 1.814 . . . . 0.0 113.706 -177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.5 t -128.29 132.67 48.67 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.019 1.327 . . . . 0.0 112.14 172.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 pm0 -70.46 -21.52 62.78 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.818 1.247 . . . . 0.0 113.12 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.14 -55.96 13.8 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.314 0.961 . . . . 0.0 110.831 177.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.3 m -65.35 -28.78 69.53 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.764 0.826 . . . . 0.0 112.836 -178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -64.7 -53.33 48.92 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.091 0.956 . . . . 0.0 111.621 173.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.2 mm -70.15 -29.56 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.918 1.287 . . . . 0.0 112.986 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -72.22 -25.04 61.49 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 120.804 -1.185 . . . . 0.0 113.341 172.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.76 -35.92 27.08 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 123.977 0.798 . . . . 0.0 114.64 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.56 176.23 9.97 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.72 1.608 . . . . 0.0 112.99 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.56 178.53 6.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.04 1.336 . . . . 0.0 113.295 -177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -59.46 -28.94 67.44 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -174.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -65.01 -35.04 79.91 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.26 -0.9 . . . . 0.0 112.557 172.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -77.11 -38.64 51.82 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.542 1.137 . . . . 0.0 111.804 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.67 -45.47 94.02 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.226 0.61 . . . . 0.0 110.95 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.23 -33.58 75.79 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.84 78.91 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.491 -0.756 . . . . 0.0 112.914 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -29.45 25.83 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.3 mp -79.51 -40.33 29.92 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.089 0.955 . . . . 0.0 112.0 169.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.0 -117.05 9.74 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.483 1.04 . . . . 0.0 113.38 174.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.35 -35.93 60.8 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.486 1.514 . . . . 0.0 112.75 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -92.5 12.33 23.28 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.865 1.266 . . . . 0.0 114.333 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.92 147.97 48.8 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 120.678 -1.263 . . . . 0.0 112.182 177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -75.33 151.01 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.554 1.142 . . . . 0.0 113.311 -171.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.67 48.16 2.2 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.806 1.642 . . . . 0.0 112.11 173.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 167.25 24.94 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.037 1.335 . . . . 0.0 113.113 173.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.37 174.92 49.67 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.731 1.157 . . . . 0.0 115.001 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.85 -178.07 43.55 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.029 1.299 . . . . 0.0 113.15 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -68.61 135.74 29.08 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 124.235 0.922 . . . . 0.0 112.83 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 93.3 p -146.53 4.49 0.9 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -173.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.97 -159.68 53.33 Favored Glycine 0 CA--C 1.54 1.635 0 C-N-CA 124.165 0.888 . . . . 0.0 113.68 -175.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.89 13.98 78.66 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.518 1.056 . . . . 0.0 115.553 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.47 126.07 41.16 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 124.827 1.203 . . . . 0.0 112.147 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 m 56.65 15.68 2.25 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.018 1.727 . . . . 0.0 115.023 -172.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.38 145.69 44.59 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 124.516 1.055 . . . . 0.0 113.392 -178.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.81 -9.34 69.04 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 125.157 1.36 . . . . 0.0 115.163 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.59 -150.35 47.78 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 118.81 1.305 . . . . 0.0 114.546 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.9 t -153.46 153.78 33.13 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.428 1.491 . . . . 0.0 111.607 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 36.3 ttp -138.92 39.98 2.15 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.691 1.596 . . . . 0.0 110.753 172.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -63.55 151.14 42.27 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.269 1.427 . . . . 0.0 113.139 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.1 mtmm -141.91 152.73 62.95 Favored Pre-proline 0 N--CA 1.476 0.828 0 C-N-CA 126.863 2.065 . . . . 0.0 111.264 -173.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -63.72 145.64 91.28 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.495 2.797 . . . . 0.0 112.807 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.2 p -76.39 148.71 37.19 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.204 1.402 . . . . 0.0 112.739 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -78.6 -35.89 45.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.136 0.974 . . . . 0.0 112.464 170.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.4 t -155.93 152.35 28.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.841 1.657 . . . . 0.0 110.928 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 55.78 -168.8 0.09 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 126.155 1.782 . . . . 0.0 113.672 -171.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 170.75 -25.13 0.1 OUTLIER Glycine 0 CA--C 1.537 1.413 0 O-C-N 120.729 -1.232 . . . . 0.0 114.823 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -59.21 -36.65 75.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 0.0 113.305 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -66.86 -48.87 67.48 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.796 1.239 . . . . 0.0 112.934 -175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -78.5 -29.91 46.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.517 0.727 . . . . 0.0 112.175 177.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -62.87 -46.86 85.88 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.495 1.043 . . . . 0.0 112.325 173.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -63.4 -47.44 81.98 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.581 0.753 . . . . 0.0 111.596 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.65 -34.05 75.04 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 123.67 0.788 . . . . 0.0 112.885 179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 36.4 t -66.18 -27.92 68.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.426 1.49 . . . . 0.0 114.087 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -77.71 -47.3 19.46 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.676 -1.265 . . . . 0.0 110.864 167.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.2 mp -54.45 -39.38 67.35 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.107 1.363 . . . . 0.0 113.048 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 91.4 p -69.46 -27.41 65.21 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -83.95 -39.07 20.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.227 1.411 . . . . 0.0 113.575 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.87 149.6 49.22 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.359 1.064 . . . . 0.0 112.756 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.5 t -68.57 160.06 30.7 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.878 1.271 . . . . 0.0 112.18 174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -58.33 -38.14 76.54 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.944 -1.097 . . . . 0.0 112.432 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 32.1 m120 -60.21 -42.06 94.35 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.25 -0.906 . . . . 0.0 112.497 172.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -68.13 -42.2 80.52 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.794 0.837 . . . . 0.0 112.049 175.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -59.02 -44.3 91.71 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.627 1.171 . . . . 0.0 111.54 174.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 57.2 mtm -61.78 -45.99 91.49 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.08 0.552 . . . . 0.0 112.136 173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.05 -44.5 84.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 pp -68.75 -40.14 79.96 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.013 0.824 . . . . 0.0 111.397 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.31 86.6 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.428 1.091 . . . . 0.0 112.172 172.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.18 -44.3 88.9 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.978 0.808 . . . . 0.0 111.053 177.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -61.34 -44.34 97.35 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.946 0.898 . . . . 0.0 113.121 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.26 -23.82 60.37 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -73.57 -37.61 65.47 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.672 1.189 . . . . 0.0 111.707 172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.11 -38.19 90.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.044 1.338 . . . . 0.0 112.462 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -85.96 -22.84 27.16 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -81.1 -32.55 33.81 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.156 1.343 . . . . 0.0 112.659 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.58 -15.84 63.66 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -94.44 -5.39 46.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.697 1.199 . . . . 0.0 114.187 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -76.5 154.99 34.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.834 0.854 . . . . 0.0 112.553 176.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.369 0 C-N-CA 125.243 1.401 . . . . 0.0 114.061 179.166 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -63.68 -28.32 69.0 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 123.901 3.067 . . . . 0.0 115.204 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 77.11 -12.33 12.69 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 125.431 1.491 . . . . 0.0 115.512 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 44.1 p -74.93 136.86 41.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.324 1.45 . . . . 0.0 112.17 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -84.62 -21.46 30.3 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.86 150.18 0.1 OUTLIER Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 127.442 2.297 . . . . 0.0 114.646 -168.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 151.74 69.58 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.752 2.302 . . . . 0.0 112.899 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 pp -142.0 -16.16 0.77 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.422 1.489 . . . . 0.0 113.398 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 50.3 p-10 -111.65 13.13 21.2 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.744 2.018 . . . . 0.0 112.639 177.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 13.4 t -65.63 157.35 30.16 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.775 1.23 . . . . 0.0 112.494 177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -61.32 -33.83 74.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.341 1.056 . . . . 0.0 112.897 -171.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.22 -40.47 90.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.451 1.101 . . . . 0.0 111.427 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 28.8 m -65.89 -33.07 75.0 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.985 0.914 . . . . 0.0 112.908 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -76.24 -44.9 35.39 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.348 0.522 . . . . 0.0 111.991 174.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.409 HD13 HD21 ' B' ' 118' ' ' LEU . 25.7 mm -63.52 -31.99 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.358 1.063 . . . . 0.0 112.962 178.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -69.74 -29.18 66.48 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -86.21 -35.12 11.25 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.885 1.231 . . . . 0.0 114.524 -173.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.409 HD21 HD13 ' B' ' 115' ' ' ILE . 2.5 pp -75.74 178.59 6.0 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.828 1.251 . . . . 0.0 113.844 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 175.86 8.45 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.767 1.227 . . . . 0.0 113.145 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -59.19 -29.26 67.34 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -170.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -64.86 -33.76 76.77 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 174.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -77.18 -33.47 56.46 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.632 1.173 . . . . 0.0 111.996 175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.06 -49.19 73.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.092 0.557 . . . . 0.0 110.87 171.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.05 -31.42 68.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.39 63.76 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -112.4 -26.96 8.47 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.22 -35.82 58.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.353 1.061 . . . . 0.0 111.831 170.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.18 -129.05 45.42 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 123.846 0.736 . . . . 0.0 112.439 175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -60.46 -24.61 65.38 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.674 1.19 . . . . 0.0 113.466 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -84.31 1.85 43.0 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.809 1.244 . . . . 0.0 114.195 178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.75 146.06 53.34 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.086 -1.009 . . . . 0.0 111.932 173.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . . . . . . . . . 5.3 tp -62.62 149.64 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 124.123 0.969 . . . . 0.0 112.571 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.16 5.87 42.65 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -174.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -141.7 31.98 1.64 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.384 1.474 . . . . 0.0 113.658 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -58.9 120.38 22.3 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.005 1.288 . . . . 0.0 112.389 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 76.12 -6.16 37.26 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 125.021 1.295 . . . . 0.0 115.438 -174.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -101.97 -17.83 19.53 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.186 1.374 . . . . 0.0 114.682 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 31.0 t -64.82 139.85 58.81 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.813 1.245 . . . . 0.0 113.163 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -85.27 166.59 40.44 Favored Glycine 0 CA--C 1.542 1.763 0 C-N-CA 124.989 1.28 . . . . 0.0 114.769 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 71.89 -172.69 46.03 Favored Glycine 0 N--CA 1.477 1.386 0 C-N-CA 124.943 1.259 . . . . 0.0 114.513 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -179.49 117.66 0.57 Allowed Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.275 0.941 . . . . 0.0 113.456 177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 12.8 t -81.16 137.91 35.9 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.898 1.279 . . . . 0.0 112.304 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -85.71 152.78 26.54 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.878 0.751 . . . . 0.0 113.612 178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -167.13 152.76 21.81 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.889 0.757 . . . . 0.0 113.101 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 149.71 -52.85 0.52 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.086 1.326 . . . . 0.0 113.128 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 36.0 t -160.34 148.66 16.68 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.95 1.7 . . . . 0.0 110.935 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 88.5 mtp -144.77 148.71 34.41 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.876 1.67 . . . . 0.0 111.283 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -83.33 -4.24 58.27 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -70.04 149.24 96.29 Favored Pre-proline 0 N--CA 1.476 0.835 0 C-N-CA 125.321 1.448 . . . . 0.0 112.492 175.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -66.23 154.76 72.92 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.058 2.506 . . . . 0.0 112.817 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 13.0 t -154.49 165.34 36.74 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.638 1.575 . . . . 0.0 111.171 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 89.1 p -69.67 161.96 28.65 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.655 1.182 . . . . 0.0 113.116 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -24.59 63.39 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -68.91 123.92 22.31 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.885 -1.135 . . . . 0.0 112.211 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.67 -34.64 18.64 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 123.769 0.7 . . . . 0.0 114.415 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -64.24 -42.13 96.67 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.165 0.983 . . . . 0.0 112.206 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -70.63 -41.55 72.05 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.98 0.912 . . . . 0.0 112.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -66.39 -43.54 85.55 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.237 0.615 . . . . 0.0 112.003 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.89 -51.74 63.15 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.237 1.015 . . . . 0.0 112.443 176.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.58 -47.47 69.68 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.377 0.671 . . . . 0.0 111.895 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 26.5 tp -66.47 -36.51 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.166 -0.959 . . . . 0.0 112.39 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 37.8 t -66.96 -41.08 87.51 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.628 0.649 . . . . 0.0 112.081 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.7 ttm105 -61.77 -47.19 86.28 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.506 -0.746 . . . . 0.0 111.484 174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.94 -25.0 66.13 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 43.4 t -68.59 -35.56 77.53 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.833 -1.167 . . . . 0.0 112.424 171.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -70.85 -43.53 68.28 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.778 1.231 . . . . 0.0 113.336 175.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.09 154.64 40.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.194 1.397 . . . . 0.0 112.739 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 55.1 p -74.6 164.93 26.01 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 120.891 -1.13 . . . . 0.0 112.783 176.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -54.07 -43.47 70.3 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 121.019 -1.05 . . . . 0.0 111.827 171.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -63.12 -40.98 99.2 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.971 0.909 . . . . 0.0 112.151 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -64.99 -41.24 95.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.557 0.743 . . . . 0.0 112.408 172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.3 -41.53 97.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.347 1.059 . . . . 0.0 112.296 175.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 57.1 mtm -62.61 -40.88 98.37 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.422 0.556 . . . . 0.0 112.04 172.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.19 61.5 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.86 -38.62 91.57 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.014 0.824 . . . . 0.0 111.643 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.72 82.32 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.898 0.879 . . . . 0.0 112.384 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.51 -48.22 80.52 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.129 0.972 . . . . 0.0 110.936 175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -55.97 -52.3 64.64 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.839 1.255 . . . . 0.0 113.075 177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -69.34 -23.67 63.8 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -76.78 -40.29 48.68 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.644 1.111 . . . . 0.0 113.001 168.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -62.55 -36.96 84.28 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.755 0.822 . . . . 0.0 112.086 -178.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -82.23 -28.6 31.84 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -78.67 -29.86 45.89 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.491 1.496 . . . . 0.0 113.526 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.59 -19.38 61.49 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -95.93 -17.01 21.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -97.92 156.78 16.45 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.685 1.194 . . . . 0.0 112.659 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.171 0 C-N-CA 125.593 1.568 . . . . 0.0 112.846 177.934 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.47 -9.83 18.78 Favored 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 124.075 3.183 . . . . 0.0 114.462 -175.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.69 -41.14 2.82 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.742 1.639 . . . . 0.0 113.756 -176.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 84.2 p -156.54 164.74 37.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.791 1.636 . . . . 0.0 111.257 170.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -74.53 -17.06 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.92 150.46 97.82 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 124.907 1.283 . . . . 0.0 113.41 -179.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -76.41 60.38 6.42 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 124.742 3.628 . . . . 0.0 111.65 173.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -63.88 -13.69 47.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -169.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -115.32 5.06 14.55 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.194 1.398 . . . . 0.0 113.76 -177.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -70.7 146.29 50.0 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.557 -1.339 . . . . 0.0 113.822 -178.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -65.57 -30.79 71.57 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.555 1.142 . . . . 0.0 112.868 175.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.71 -35.43 76.29 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.267 1.027 . . . . 0.0 111.8 -177.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 t -64.91 -38.92 92.58 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.046 0.938 . . . . 0.0 112.137 178.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.28 -48.42 61.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.594 -0.691 . . . . 0.0 111.643 175.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mm -63.96 -31.79 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.131 1.372 . . . . 0.0 113.225 -179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -78.69 -20.79 49.32 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 173.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.67 -36.45 9.4 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.432 1.015 . . . . 0.0 114.479 -179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.15 174.86 7.36 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.183 1.393 . . . . 0.0 113.1 176.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.57 175.72 7.72 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.218 1.407 . . . . 0.0 113.609 -178.125 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -60.88 -27.11 67.9 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 -174.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -65.32 -31.82 73.15 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.903 0.881 . . . . 0.0 113.086 170.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -79.34 -36.41 39.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.289 1.036 . . . . 0.0 111.326 174.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.23 -47.78 78.33 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.634 0.773 . . . . 0.0 111.085 174.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.6 -34.86 71.6 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.145 -0.972 . . . . 0.0 112.957 176.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.98 -19.33 63.35 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 178.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -110.44 -28.03 8.74 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 119.53 1.059 . . . . 0.0 113.744 177.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.57 -39.67 64.5 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.89 1.276 . . . . 0.0 112.097 171.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.82 -124.83 36.67 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.661 1.124 . . . . 0.0 112.527 172.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -59.12 -32.51 69.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.775 1.23 . . . . 0.0 113.496 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.2 6.2 30.61 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -175.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -53.19 157.81 1.76 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.707 1.603 . . . . 0.0 114.418 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 tp -62.44 142.43 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.057 -1.027 . . . . 0.0 112.749 -176.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -101.16 53.54 0.84 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.762 1.625 . . . . 0.0 109.893 170.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 63.65 160.09 0.09 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 128.373 2.669 . . . . 0.0 115.45 -176.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.3 174.45 41.11 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 124.646 1.117 . . . . 0.0 114.008 -179.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.65 -168.28 39.78 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 125.115 1.34 . . . . 0.0 116.178 174.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.27 -174.26 44.3 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.483 1.516 . . . . 0.0 113.33 -177.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.8 t 57.92 -165.06 0.17 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.747 1.619 . . . . 0.0 113.95 -178.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.94 -15.46 80.99 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 124.961 1.267 . . . . 0.0 115.773 -176.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.33 115.62 0.58 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.641 1.591 . . . . 0.0 112.125 -175.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.77 -6.08 14.21 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 124.952 1.263 . . . . 0.0 114.768 -172.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.2 p -74.74 -6.64 50.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.745 2.018 . . . . 0.0 114.827 -178.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.59 -9.8 74.69 Favored Glycine 0 CA--C 1.543 1.837 0 C-N-CA 124.508 1.052 . . . . 0.0 115.426 176.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.54 158.56 26.67 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 125.179 1.371 . . . . 0.0 116.352 168.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.86 178.52 42.22 Favored Glycine 0 CA--C 1.541 1.667 0 C-N-CA 126.262 1.887 . . . . 0.0 112.728 -177.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.8 p -123.64 -7.67 7.98 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -177.483 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 75.6 mtp 59.61 -27.31 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 129.46 3.104 . . . . 0.0 118.314 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -74.17 139.23 44.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.584 1.554 . . . . 0.0 112.016 -175.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -135.13 145.29 53.63 Favored Pre-proline 0 N--CA 1.482 1.133 0 C-N-CA 125.159 1.384 . . . . 0.0 112.099 -172.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.86 151.87 73.89 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.431 2.754 . . . . 0.0 111.853 174.524 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.6 p 59.24 4.59 0.48 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.663 2.385 . . . . 0.0 117.312 175.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.2 t -67.34 141.39 57.14 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.032 -1.042 . . . . 0.0 112.493 178.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.5 t -159.29 -36.85 0.06 Allowed 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -65.8 -32.63 74.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.24 1.016 . . . . 0.0 113.544 -174.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.98 -47.54 3.84 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 126.533 2.016 . . . . 0.0 114.698 168.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.1 p-90 -61.51 -38.26 86.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.052 0.926 . . . . 0.0 112.596 -177.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.91 -39.64 83.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.157 1.383 . . . . 0.0 112.772 177.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.29 -44.68 78.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.042 0.937 . . . . 0.0 111.301 176.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -63.83 -45.6 88.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.011 0.925 . . . . 0.0 112.563 176.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.71 -50.77 71.11 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.962 0.905 . . . . 0.0 111.488 178.493 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.64 -39.65 85.06 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.858 0.863 . . . . 0.0 112.267 176.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.2 m -66.86 -26.69 67.02 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.5 mtp85 -78.94 -50.55 10.99 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.238 0.926 . . . . 0.0 111.184 170.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.45 -27.82 67.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -175.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.8 p -67.87 -41.23 83.15 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.861 1.21 . . . . 0.0 113.323 173.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -81.01 -28.41 35.48 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 178.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -61.12 145.87 49.45 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 118.964 0.802 . . . . 0.0 112.114 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.8 t -64.79 152.87 41.62 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.006 0.923 . . . . 0.0 111.537 176.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -57.14 -31.55 65.46 Favored 'General case' 0 N--CA 1.483 1.189 0 O-C-N 120.943 -1.098 . . . . 0.0 111.991 173.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -63.91 -42.66 97.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.741 0.816 . . . . 0.0 112.267 172.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.89 -36.73 82.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.858 0.863 . . . . 0.0 112.163 173.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.56 -43.76 98.01 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.203 0.911 . . . . 0.0 112.793 173.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 50.7 mtm -59.3 -43.97 92.58 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.507 0.594 . . . . 0.0 111.7 172.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.82 -46.02 63.53 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -177.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.34 -42.39 98.93 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.545 1.066 . . . . 0.0 111.818 179.598 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.81 89.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.675 0.79 . . . . 0.0 111.245 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.02 -51.64 63.26 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.241 1.016 . . . . 0.0 111.159 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -56.34 -52.25 65.24 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.865 0.757 . . . . 0.0 112.714 178.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.06 -24.46 65.07 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -174.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -77.74 -45.08 25.73 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.811 0.844 . . . . 0.0 112.233 168.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -64.64 -34.59 78.63 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.922 0.889 . . . . 0.0 112.358 -175.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -78.07 -31.12 50.04 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 174.734 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -76.65 -32.64 58.11 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.772 1.624 . . . . 0.0 112.997 -175.108 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.36 -12.19 61.3 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -103.66 4.08 35.07 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.152 1.381 . . . . 0.0 114.027 177.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -78.32 -1.56 33.81 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.292 0 C-N-CA 126.951 2.215 . . . . 0.0 113.063 -179.173 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.11 151.13 72.78 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 123.565 2.844 . . . . 0.0 112.943 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.32 147.34 35.78 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.2 0.905 . . . . 0.0 113.097 174.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 95.8 p -76.55 151.52 36.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.943 0.897 . . . . 0.0 112.723 176.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -83.25 -18.65 38.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.687 1.195 . . . . 0.0 114.159 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.71 145.31 0.08 OUTLIER Pre-proline 0 CA--C 1.557 1.244 0 C-N-CA 128.592 2.757 . . . . 0.0 115.248 -170.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -77.71 88.53 1.41 Allowed 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.744 2.963 . . . . 0.0 111.715 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 pp -76.45 -18.7 58.66 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.053 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -108.53 -2.66 18.73 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -171.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 12.2 t -71.42 144.75 49.67 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.115 -0.991 . . . . 0.0 113.59 -175.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -55.83 -29.14 59.32 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.015 1.326 . . . . 0.0 113.005 170.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.76 -29.37 70.09 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.219 -0.926 . . . . 0.0 112.486 175.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 -38.84 27.7 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.804 1.242 . . . . 0.0 112.06 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -61.93 -42.73 99.44 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.137 0.975 . . . . 0.0 111.979 176.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.6 mm -66.77 -24.82 33.35 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 124.755 1.222 . . . . 0.0 113.543 177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.04 -25.04 34.97 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 167.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -77.84 -32.35 45.64 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 121.264 -0.898 . . . . 0.0 114.708 -178.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.68 -178.94 4.43 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.973 1.709 . . . . 0.0 113.544 175.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.73 173.28 11.07 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.003 1.321 . . . . 0.0 113.388 176.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -59.53 -28.2 66.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -171.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.68 -31.39 72.03 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 173.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -74.35 -35.68 63.6 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.385 1.074 . . . . 0.0 112.031 173.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.52 -46.07 81.05 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.741 0.816 . . . . 0.0 110.694 172.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.86 70.28 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.24 -0.913 . . . . 0.0 112.866 175.204 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -69.21 -17.12 63.75 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 177.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.1 pp -116.81 -28.56 6.3 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.627 1.171 . . . . 0.0 114.132 179.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.47 -38.94 65.26 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.51 1.124 . . . . 0.0 111.429 169.638 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.44 -124.16 35.05 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.444 1.021 . . . . 0.0 113.244 176.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -61.88 -21.83 65.03 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 177.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.92 6.25 42.84 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.283 1.833 . . . . 0.0 113.069 177.606 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.99 147.0 40.54 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.161 -0.962 . . . . 0.0 112.093 173.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.506 HG22 HD21 ' B' ' 170' ' ' ASN . 6.6 tp -63.11 157.2 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -168.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 56.8 mmt-85 -118.01 54.46 0.92 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.011 2.124 . . . . 0.0 111.631 174.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 61.04 26.42 16.37 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.188 1.795 . . . . 0.0 114.621 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . 0.424 ' H ' HG13 ' B' ' 132' ' ' ILE . . . -80.29 0.42 84.37 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 126.495 1.998 . . . . 0.0 116.193 -178.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -73.35 172.66 49.98 Favored Glycine 0 CA--C 1.539 1.575 0 CA-C-N 119.065 1.433 . . . . 0.0 115.206 -176.532 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -166.48 154.13 24.42 Favored Glycine 0 CA--C 1.536 1.4 0 C-N-CA 124.172 0.892 . . . . 0.0 113.988 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 34.5 t -75.64 148.75 38.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.758 1.223 . . . . 0.0 111.682 174.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -160.83 -178.55 34.91 Favored Glycine 0 CA--C 1.533 1.204 0 O-C-N 121.154 -0.966 . . . . 0.0 114.426 -177.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 90.05 157.05 32.89 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.246 0.927 . . . . 0.0 113.372 -175.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . -57.91 130.27 50.76 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.825 1.202 . . . . 0.0 114.061 -175.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 15.8 m -65.62 -23.99 66.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.047 1.339 . . . . 0.0 114.492 -171.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -151.98 28.91 0.91 Allowed Glycine 0 CA--C 1.537 1.445 0 C-N-CA 125.737 1.636 . . . . 0.0 113.435 179.502 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . -67.86 152.5 52.58 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.697 1.141 . . . . 0.0 114.328 -174.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.49 170.76 40.99 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.113 1.34 . . . . 0.0 112.628 -179.227 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 70.7 m -71.59 141.83 50.01 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.661 0.784 . . . . 0.0 112.794 179.572 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.1 165.16 24.87 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.057 1.343 . . . . 0.0 112.014 172.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -73.59 -7.4 51.77 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 170.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.24 161.31 79.06 Favored Pre-proline 0 N--CA 1.478 0.973 0 C-N-CA 126.784 2.034 . . . . 0.0 112.435 174.434 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -57.15 154.66 32.74 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.296 2.664 . . . . 0.0 114.669 175.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 7.5 t -68.97 167.11 16.52 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.078 1.351 . . . . 0.0 113.091 176.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 45.0 t -141.7 139.46 32.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.588 1.555 . . . . 0.0 112.026 178.124 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 23.7 t -65.75 -25.07 67.11 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.945 1.298 . . . . 0.0 113.103 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -69.69 -11.0 60.51 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -178.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.46 -0.7 18.41 Favored Glycine 0 CA--C 1.539 1.594 0 C-N-CA 125.845 1.688 . . . . 0.0 116.659 -174.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -55.51 -36.45 66.72 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.481 1.64 . . . . 0.0 112.408 175.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -70.27 -36.81 74.67 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.05 0.94 . . . . 0.0 113.124 177.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -69.34 -42.67 74.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.998 0.919 . . . . 0.0 111.209 177.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -65.17 -40.57 94.49 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.321 -0.862 . . . . 0.0 112.394 176.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -66.89 -52.05 47.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.56 1.144 . . . . 0.0 111.594 177.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.87 -37.01 82.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.54 0.736 . . . . 0.0 112.746 176.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.3 t -58.0 -43.86 86.88 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.05 0.94 . . . . 0.0 111.931 176.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -72.0 -47.03 54.88 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.106 -0.996 . . . . 0.0 111.839 176.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 7.5 mp -61.03 -37.57 83.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.766 0.827 . . . . 0.0 112.718 -178.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 98.8 p -66.54 -29.45 69.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -91.31 -30.88 16.33 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.473 1.509 . . . . 0.0 114.222 -177.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 4.8 mp -64.17 157.72 24.91 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.81 1.244 . . . . 0.0 112.807 176.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 30.3 t -66.84 153.82 42.44 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.994 0.918 . . . . 0.0 112.528 177.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -54.46 -36.8 64.49 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.23 1.412 . . . . 0.0 111.949 167.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.506 HD21 HG22 ' B' ' 132' ' ' ILE . 33.2 m120 -68.09 -43.73 77.85 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.63 -0.669 . . . . 0.0 112.265 174.656 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.67 -37.09 86.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.287 1.035 . . . . 0.0 112.352 177.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.34 -43.05 96.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.653 1.181 . . . . 0.0 113.026 175.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -59.3 -46.45 88.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.857 1.208 . . . . 0.0 111.534 172.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.69 -44.16 64.71 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -174.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.1 pp -64.56 -40.68 96.01 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.088 0.858 . . . . 0.0 111.059 177.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.28 -45.33 88.49 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.923 0.889 . . . . 0.0 111.501 178.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.71 -47.37 84.78 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.525 0.73 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.47 -49.72 76.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.655 0.782 . . . . 0.0 112.665 178.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -72.96 -23.19 60.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -76.76 -34.95 58.01 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.974 0.91 . . . . 0.0 112.099 172.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -69.32 -35.88 76.4 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.779 0.831 . . . . 0.0 113.063 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -79.67 -36.8 37.16 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -67.76 -32.21 72.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.77 1.168 . . . . 0.0 113.236 -174.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.2 pp -74.3 -9.19 58.36 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -175.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -112.24 -3.67 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.77 1.228 . . . . 0.0 114.273 177.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -75.45 153.24 37.72 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 119.22 0.918 . . . . 0.0 112.541 172.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.49 -1.172 . . . . 0.0 112.716 178.336 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 CA-C-O 119.625 -0.542 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -70.4 160.57 49.08 Favored 'Trans proline' 0 CA--C 1.545 1.047 0 C-N-CA 124.039 3.159 . . . . 0.0 113.156 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.29 169.88 50.93 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 124.343 0.973 . . . . 0.0 114.09 172.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -153.56 149.57 27.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.173 1.389 . . . . 0.0 112.304 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -72.58 -12.39 61.04 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.096 1.358 . . . . 0.0 113.49 171.63 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.68 146.24 0.09 OUTLIER Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 127.97 2.508 . . . . 0.0 112.992 -161.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -71.81 117.46 5.16 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.67 2.247 . . . . 0.0 113.252 -168.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.48 -18.76 58.59 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.575 1.15 . . . . 0.0 112.414 164.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -68.44 -13.94 62.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.313 1.445 . . . . 0.0 113.975 -171.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 62.0 p -58.22 -40.26 81.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.083 0.953 . . . . 0.0 113.141 -177.073 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -76.56 -36.01 57.88 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.673 0.789 . . . . 0.0 112.83 176.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.36 -43.25 98.19 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.113 175.137 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.5 m -63.46 -31.79 73.04 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.275 1.03 . . . . 0.0 112.997 175.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.64 -47.46 69.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.041 -1.037 . . . . 0.0 111.538 173.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -66.35 -32.48 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.878 1.271 . . . . 0.0 112.777 177.324 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.33 -25.27 61.49 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.975 -1.078 . . . . 0.0 113.176 171.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.3 -37.46 8.98 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.806 1.193 . . . . 0.0 115.49 -176.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.69 169.95 13.35 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.28 1.432 . . . . 0.0 113.349 175.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.2 172.7 7.01 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.668 1.187 . . . . 0.0 113.835 -177.427 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -62.65 -24.21 67.5 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -177.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -66.49 -32.74 74.29 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.942 0.792 . . . . 0.0 112.63 169.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -76.53 -38.84 54.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.094 0.958 . . . . 0.0 111.207 174.086 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -62.31 -46.33 89.23 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.535 -0.728 . . . . 0.0 111.428 174.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.93 74.93 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.373 -0.829 . . . . 0.0 113.08 176.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -35.45 79.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 176.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.29 -27.91 16.53 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -177.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.9 mp -77.99 -40.27 39.66 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.65 1.18 . . . . 0.0 112.527 171.241 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.31 -122.59 30.37 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.167 0.889 . . . . 0.0 112.876 176.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.7 ptmm? -60.24 -30.53 69.48 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -83.86 3.87 31.89 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.744 1.218 . . . . 0.0 113.077 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -57.68 147.28 28.09 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.783 0.833 . . . . 0.0 113.206 177.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 tp -63.37 154.73 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.56 1.144 . . . . 0.0 112.988 -173.571 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.31 -6.58 44.07 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -174.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.52 -18.06 61.14 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.89 1.276 . . . . 0.0 113.67 171.387 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 75.89 -178.56 48.47 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.925 1.25 . . . . 0.0 114.136 -175.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.34 160.66 54.13 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.18 0.895 . . . . 0.0 113.656 174.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.07 173.56 45.67 Favored Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.784 -0.833 . . . . 0.0 114.346 -177.483 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.3 p -146.06 19.13 1.42 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.223 1.409 . . . . 0.0 113.772 -174.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.01 157.82 45.84 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.698 1.142 . . . . 0.0 114.483 -179.604 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.07 -167.08 36.04 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 124.955 1.264 . . . . 0.0 113.508 -177.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -175.13 -169.66 37.22 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.548 1.07 . . . . 0.0 114.033 179.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -151.68 145.19 24.87 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.824 1.249 . . . . 0.0 112.266 179.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 170.25 166.25 28.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.007 1.289 . . . . 0.0 113.538 179.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.68 -179.4 49.64 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.455 1.026 . . . . 0.0 114.284 175.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.01 164.32 35.61 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.54 1.067 . . . . 0.0 113.788 178.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.3 t -71.04 146.82 49.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.589 1.156 . . . . 0.0 112.536 178.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 28.4 ttt -151.2 150.4 30.56 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.447 1.499 . . . . 0.0 111.504 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -130.29 164.29 24.93 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.021 1.728 . . . . 0.0 111.571 174.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -67.97 145.37 97.77 Favored Pre-proline 0 N--CA 1.477 0.917 0 C-N-CA 124.206 1.002 . . . . 0.0 112.305 -175.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -66.81 158.93 53.9 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.484 2.789 . . . . 0.0 112.457 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 67.9 p -134.57 153.86 51.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.701 1.601 . . . . 0.0 111.78 -179.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.6 t -65.17 120.85 13.47 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.682 0.793 . . . . 0.0 111.281 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.0 p -163.52 171.8 15.34 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.787 1.635 . . . . 0.0 111.424 -176.663 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -71.64 -18.33 62.2 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.76 0.824 . . . . 0.0 112.916 174.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.71 -32.96 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 C-N-CA 127.003 2.239 . . . . 0.0 116.396 167.008 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 70.0 p-90 -60.28 -45.14 94.36 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.509 1.155 . . . . 0.0 112.962 -168.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 -36.77 85.41 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.191 0.996 . . . . 0.0 113.243 -177.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -73.11 -48.22 37.55 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.238 1.015 . . . . 0.0 111.651 179.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -61.12 -46.43 90.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.754 0.822 . . . . 0.0 111.436 178.128 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.14 -56.13 24.41 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.262 1.025 . . . . 0.0 111.557 -179.536 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.4 -39.03 85.88 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.667 0.667 . . . . 0.0 112.559 178.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.1 m -64.67 -47.46 78.34 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.784 -0.573 . . . . 0.0 112.268 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -70.41 -41.02 73.51 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.284 0.947 . . . . 0.0 113.027 178.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.6 mp -57.47 -30.9 65.43 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 119.735 1.152 . . . . 0.0 112.246 178.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 t -66.63 -33.35 75.47 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 121.368 -0.832 . . . . 0.0 113.143 174.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -90.12 -23.86 21.25 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.884 1.274 . . . . 0.0 113.712 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.3 153.16 35.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.826 0.851 . . . . 0.0 111.374 171.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -66.79 153.83 42.36 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.486 1.115 . . . . 0.0 112.417 175.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -51.84 -34.11 39.14 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.685 1.594 . . . . 0.0 111.96 166.339 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -70.07 -44.28 69.42 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.742 1.217 . . . . 0.0 112.738 174.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -66.97 -35.96 81.13 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.201 1.0 . . . . 0.0 112.515 176.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.8 mt -59.68 -45.91 90.65 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.967 0.907 . . . . 0.0 112.02 174.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 48.0 mtm -60.06 -44.27 94.83 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 171.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.99 -46.96 76.14 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -177.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.18 -35.84 78.67 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.367 -0.833 . . . . 0.0 111.943 178.32 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.0 89.63 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.706 0.802 . . . . 0.0 112.292 174.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.96 -40.7 97.01 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.308 -0.87 . . . . 0.0 111.052 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -56.53 -53.15 60.92 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.145 0.978 . . . . 0.0 112.832 172.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.34 -22.84 62.75 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -74.58 -36.66 63.05 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.849 1.26 . . . . 0.0 112.477 171.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.8 -32.69 72.58 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.459 1.104 . . . . 0.0 113.044 -179.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -87.55 -31.94 19.64 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.06 -23.72 64.07 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 120.687 -1.258 . . . . 0.0 113.619 -176.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 pp -80.48 -16.09 55.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.805 1.242 . . . . 0.0 114.132 176.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -82.46 -45.04 15.26 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.511 0.724 . . . . 0.0 111.165 179.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.68 152.84 44.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.658 1.183 . . . . 0.0 112.595 178.632 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 C-N-CA 125.444 1.497 . . . . 0.0 113.934 179.622 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.44 -32.1 16.35 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.18 2.586 . . . . 0.0 113.25 -178.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -90.01 155.39 24.49 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.032 1.301 . . . . 0.0 113.123 171.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 36.1 m -80.24 52.27 1.55 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.748 1.619 . . . . 0.0 113.196 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.18 -38.43 91.04 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 -169.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 59.72 151.25 0.09 OUTLIER Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 127.864 2.466 . . . . 0.0 114.337 -169.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.55 145.49 76.57 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.738 2.292 . . . . 0.0 112.398 175.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 pp -150.76 -24.26 0.22 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.391 1.476 . . . . 0.0 113.123 177.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -92.15 -0.29 57.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.164 1.786 . . . . 0.0 113.211 173.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 22.6 p -64.59 129.88 41.52 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.32 1.448 . . . . 0.0 111.756 176.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -67.09 -44.99 78.61 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.22 1.408 . . . . 0.0 112.69 -167.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -43.31 98.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.385 0.674 . . . . 0.0 111.248 -178.279 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 21.9 m -66.39 -35.8 81.23 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.789 0.836 . . . . 0.0 112.618 178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -63.96 -50.13 69.81 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.596 0.759 . . . . 0.0 111.679 173.347 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.69 -28.35 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 C-N-CA 124.98 1.312 . . . . 0.0 113.161 -179.502 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -76.15 -28.16 57.27 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.009 -1.057 . . . . 0.0 113.261 170.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -78.42 -38.0 26.17 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.42 1.009 . . . . 0.0 114.441 -177.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -73.55 175.15 7.33 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.505 1.522 . . . . 0.0 113.234 175.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.6 173.79 7.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.918 1.287 . . . . 0.0 113.561 -179.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.53 -28.14 68.19 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -172.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -66.7 -35.36 79.95 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.294 1.038 . . . . 0.0 112.144 173.469 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -72.73 -37.14 67.83 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.755 0.822 . . . . 0.0 111.733 173.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -61.65 -46.94 87.6 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.627 -0.671 . . . . 0.0 110.995 172.153 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.24 -32.4 72.19 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.148 0.885 . . . . 0.0 113.323 175.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.09 78.94 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 175.105 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.15 -30.5 15.92 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -177.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.7 mp -76.67 -36.64 57.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.85 1.26 . . . . 0.0 111.573 170.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.08 -130.0 38.38 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.352 0.977 . . . . 0.0 112.615 177.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -62.4 -23.62 66.94 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.36 176.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -80.81 1.24 31.42 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -58.13 145.21 37.66 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.262 -0.899 . . . . 0.0 111.547 173.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.501 HG22 HD21 ' B' ' 170' ' ' ASN . 6.8 tp -64.86 147.85 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.035 0.934 . . . . 0.0 113.397 -166.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -111.01 20.67 17.24 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.69 1.596 . . . . 0.0 112.821 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -118.89 10.24 12.21 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.272 1.829 . . . . 0.0 113.643 -173.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . 86.27 110.72 0.81 Allowed Glycine 0 CA--C 1.532 1.101 0 C-N-CA 125.468 1.509 . . . . 0.0 111.335 -169.569 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -78.64 171.77 55.16 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.953 0.787 . . . . 0.0 114.736 -178.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.9 -160.06 53.94 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 124.397 0.998 . . . . 0.0 115.157 174.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 87.9 p -80.92 10.65 4.78 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.227 1.811 . . . . 0.0 115.588 -172.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -58.52 150.58 34.16 Favored Glycine 0 CA--C 1.539 1.547 0 O-C-N 120.994 -1.066 . . . . 0.0 114.615 -177.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 88.1 -13.37 61.65 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 125.253 1.406 . . . . 0.0 115.355 -177.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 69.72 -170.09 43.82 Favored Glycine 0 CA--C 1.536 1.388 0 CA-C-N 118.825 1.312 . . . . 0.0 115.347 176.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.9 t -158.55 144.89 17.13 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.483 1.513 . . . . 0.0 111.963 -178.246 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . 165.66 -164.05 37.07 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.853 1.216 . . . . 0.0 113.508 177.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 85.82 -128.83 9.0 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.581 1.086 . . . . 0.0 114.227 174.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -63.87 -14.48 55.68 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 116.836 1.495 . . . . 0.0 116.836 -166.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 61.1 p -66.27 -13.65 60.76 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 118.99 1.395 . . . . 0.0 114.578 175.457 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 59.5 ttm -67.19 -35.23 79.18 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.048 0.939 . . . . 0.0 112.668 171.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -78.19 150.57 33.51 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.071 0.948 . . . . 0.0 110.924 171.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.44 149.14 39.82 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 124.589 1.156 . . . . 0.0 113.146 -176.454 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.28 172.3 12.42 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 124.148 3.232 . . . . 0.0 112.986 174.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 66.0 p -74.42 -0.21 16.63 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 115.282 1.586 . . . . 0.0 115.282 -177.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 32.9 t -146.86 150.22 34.83 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.603 1.561 . . . . 0.0 112.178 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 41.9 t -154.64 141.55 19.19 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.064 1.746 . . . . 0.0 110.962 -174.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -112.7 131.01 55.85 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.873 1.269 . . . . 0.0 111.242 177.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -63.76 -35.71 92.37 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 115.661 1.025 . . . . 0.0 115.661 -164.714 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -79.13 -33.65 44.07 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.796 0.838 . . . . 0.0 112.57 175.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -79.6 -59.24 2.82 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.364 1.465 . . . . 0.0 111.725 -168.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.08 -31.42 69.01 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.95 0.9 . . . . 0.0 112.841 -174.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.38 -46.79 72.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.8 0.84 . . . . 0.0 112.379 174.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -69.13 -43.7 73.84 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.13 0.972 . . . . 0.0 111.79 178.423 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 48.1 tp -62.09 -39.54 92.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.817 0.847 . . . . 0.0 112.114 175.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 30.6 t -62.44 -51.28 68.14 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.204 0.601 . . . . 0.0 111.004 172.734 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 35.0 ttm105 -57.24 -45.77 83.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.606 0.762 . . . . 0.0 112.371 -179.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.33 -19.15 62.34 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 25.9 t -73.66 -43.33 59.74 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.156 -1.59 . . . . 0.0 110.968 166.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -71.52 -38.98 71.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.391 1.876 . . . . 0.0 114.58 -177.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.2 mp -68.09 157.13 35.93 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.428 1.091 . . . . 0.0 112.393 178.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 20.2 m -72.16 152.33 42.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.242 1.017 . . . . 0.0 111.672 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.34 -30.38 66.67 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 120.777 -1.202 . . . . 0.0 113.345 178.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.501 HD21 HG22 ' B' ' 132' ' ' ILE . 22.8 m120 -65.73 -41.25 92.45 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.751 1.22 . . . . 0.0 112.583 171.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.24 -40.15 82.06 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.501 1.12 . . . . 0.0 111.824 176.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.11 -45.81 79.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.366 1.066 . . . . 0.0 112.236 172.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 60.5 mtm -62.29 -43.42 98.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.678 0.672 . . . . 0.0 112.279 174.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.77 -46.09 69.67 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 -177.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.47 -38.17 86.72 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.179 0.9 . . . . 0.0 111.401 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -66.77 -34.62 78.22 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.872 0.869 . . . . 0.0 112.769 177.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -48.38 59.06 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.635 0.774 . . . . 0.0 110.251 174.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -59.2 -49.31 78.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.18 -27.4 67.98 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -178.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -80.35 -32.82 37.69 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.626 1.57 . . . . 0.0 112.672 178.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -74.36 -38.35 63.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.923 0.889 . . . . 0.0 112.449 176.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -77.88 -28.84 50.03 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -73.23 -26.76 61.25 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 121.023 -1.048 . . . . 0.0 113.562 -175.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.1 pp -83.57 -11.88 56.82 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -103.25 -16.03 15.8 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 179.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -93.43 160.94 14.58 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.401 1.081 . . . . 0.0 113.153 -179.018 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.363 0 C-N-CA 125.387 1.47 . . . . 0.0 113.186 -175.607 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -58.12 142.45 97.03 Favored 'Trans proline' 0 CA--C 1.537 0.663 0 C-N-CA 123.512 2.808 . . . . 0.0 113.554 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.3 12.83 79.92 Favored Glycine 0 CA--C 1.54 1.623 0 N-CA-C 116.073 1.189 . . . . 0.0 116.073 175.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.0 m -65.75 143.83 57.27 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.164 1.482 . . . . 0.0 112.455 179.404 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -78.84 -11.2 59.98 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -177.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 64.3 150.4 0.11 Allowed Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 128.314 2.646 . . . . 0.0 115.206 -176.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.22 161.49 44.37 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.351 2.701 . . . . 0.0 113.089 179.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -118.99 -18.0 8.9 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.238 1.415 . . . . 0.0 113.485 173.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -70.3 -10.07 57.88 Favored 'General case' 0 CA--C 1.549 0.915 0 O-C-N 120.943 -1.098 . . . . 0.0 113.421 178.048 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.8 p -65.31 -24.3 67.24 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.202 1.401 . . . . 0.0 112.441 166.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -73.51 -33.75 64.94 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.857 -1.152 . . . . 0.0 112.659 175.349 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.68 -41.57 99.17 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.248 -0.907 . . . . 0.0 110.531 170.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.5 m -66.91 -33.41 75.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.018 0.927 . . . . 0.0 112.796 175.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.49 -47.9 68.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.856 0.862 . . . . 0.0 112.085 173.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -65.14 -31.13 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.807 1.243 . . . . 0.0 112.628 177.853 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.34 -28.21 67.78 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.435 1.094 . . . . 0.0 113.687 168.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -85.25 -22.12 52.72 Favored Glycine 0 CA--C 1.543 1.79 0 C-N-CA 124.464 1.031 . . . . 0.0 115.479 -174.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 pp -101.04 -179.1 3.95 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.762 1.625 . . . . 0.0 114.239 -174.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.8 175.22 8.49 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.334 1.454 . . . . 0.0 113.097 -176.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.85 -29.79 67.22 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -171.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -66.96 -32.1 73.12 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.669 -0.644 . . . . 0.0 112.624 175.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -79.78 -27.66 40.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.937 1.295 . . . . 0.0 112.013 175.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.33 -48.16 62.26 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.057 0.943 . . . . 0.0 111.065 169.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -31.66 67.09 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.938 0.895 . . . . 0.0 113.258 177.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.12 -17.41 64.45 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 pp -121.65 -25.78 5.03 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -70.3 -36.34 74.26 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.786 1.234 . . . . 0.0 112.128 171.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.52 -123.09 29.08 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.915 1.245 . . . . 0.0 114.009 171.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.0 -25.08 67.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.392 1.477 . . . . 0.0 113.168 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -97.51 12.64 32.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.451 1.5 . . . . 0.0 113.672 179.135 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -59.27 149.54 28.41 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 121.263 -0.898 . . . . 0.0 111.514 169.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG22 HD21 ' A' ' 70' ' ' ASN . 8.4 tp -58.99 151.23 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 113.161 -173.26 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -108.67 18.08 21.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.545 1.138 . . . . 0.0 113.92 -173.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -148.77 159.2 44.36 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.029 1.332 . . . . 0.0 112.763 178.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -81.53 -170.46 44.0 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.994 1.283 . . . . 0.0 114.729 179.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -157.85 168.76 34.5 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.087 1.327 . . . . 0.0 113.323 178.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.79 179.98 48.77 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.893 1.235 . . . . 0.0 114.847 -177.56 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -64.19 150.34 45.99 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.598 1.159 . . . . 0.0 112.863 177.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.49 -12.36 77.18 Favored Glycine 0 CA--C 1.54 1.627 0 C-N-CA 124.3 0.952 . . . . 0.0 114.315 169.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -64.39 145.0 49.24 Favored Glycine 0 CA--C 1.537 1.447 0 CA-C-N 118.598 1.199 . . . . 0.0 113.15 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 5.49 80.04 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.865 1.222 . . . . 0.0 115.443 -177.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.7 t -68.32 151.67 46.56 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 112.4 177.103 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.03 149.59 49.35 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.172 0.892 . . . . 0.0 114.335 -177.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 173.77 -169.74 42.83 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 125.082 1.325 . . . . 0.0 113.418 -179.646 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.06 -158.55 52.11 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.443 1.021 . . . . 0.0 114.508 -178.213 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 82.6 p -67.86 158.29 32.94 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.093 1.357 . . . . 0.0 112.964 177.845 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 26.1 ptp -151.39 173.78 14.13 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.525 1.53 . . . . 0.0 111.973 -177.494 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -61.26 160.57 10.32 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.513 1.125 . . . . 0.0 113.632 177.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -62.16 146.85 91.82 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.208 1.003 . . . . 0.0 111.552 172.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.58 158.45 50.85 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.986 3.124 . . . . 0.0 113.031 -177.231 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.2 p -70.07 148.47 48.76 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.74 1.216 . . . . 0.0 112.334 171.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.9 m -73.03 -20.13 61.06 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -171.352 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 m -143.32 145.71 32.93 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.388 1.075 . . . . 0.0 113.234 -170.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 55.52 28.93 12.49 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 116.911 2.189 . . . . 0.0 116.911 168.009 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.6 -9.46 65.23 Favored Glycine 0 CA--C 1.538 1.508 0 C-N-CA 126.054 1.788 . . . . 0.0 115.944 -172.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.8 p-90 -58.18 -38.2 76.21 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.894 1.347 . . . . 0.0 112.374 -179.119 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -71.43 -41.21 69.79 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.619 1.168 . . . . 0.0 111.623 -178.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.07 -42.5 72.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.61 1.164 . . . . 0.0 112.034 -178.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -63.25 -51.51 65.89 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 122.986 0.515 . . . . 0.0 111.675 177.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -64.76 -43.97 91.59 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.6 tp -65.73 -40.33 92.06 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.073 -1.017 . . . . 0.0 112.443 176.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 t -63.06 -43.24 99.15 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.48 0.712 . . . . 0.0 111.699 173.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -57.66 -47.14 83.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.685 1.194 . . . . 0.0 111.749 174.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mp -71.06 -25.51 62.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 177.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 p -71.03 -38.06 72.58 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 120.372 1.442 . . . . 0.0 112.509 172.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -65.13 -48.23 74.34 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 127.075 2.15 . . . . 0.0 113.012 173.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.66 150.36 48.59 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.314 1.046 . . . . 0.0 112.656 -175.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.7 t -68.89 158.27 34.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.493 1.517 . . . . 0.0 112.963 177.383 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -50.03 -40.56 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.312 1.445 . . . . 0.0 112.273 170.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.409 HD21 HG22 ' A' ' 32' ' ' ILE . 11.6 m120 -68.08 -39.36 82.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.324 1.05 . . . . 0.0 112.671 177.428 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -68.51 -39.61 81.15 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.938 0.895 . . . . 0.0 112.458 175.569 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.97 -40.48 93.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.589 1.156 . . . . 0.0 112.605 173.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 68.6 mtm -60.92 -45.73 93.47 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.904 0.774 . . . . 0.0 111.957 170.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.03 -44.65 65.39 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.86 -37.32 86.97 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.43 1.014 . . . . 0.0 111.925 179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.4 72.27 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.137 0.975 . . . . 0.0 112.037 176.403 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -43.44 98.84 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.568 0.747 . . . . 0.0 110.383 177.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -57.05 -56.98 14.79 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.445 1.098 . . . . 0.0 112.74 174.039 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.47 -27.02 67.47 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -176.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -71.3 -46.39 60.86 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.356 1.462 . . . . 0.0 111.831 171.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -68.17 -38.34 81.96 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.735 0.814 . . . . 0.0 112.222 -174.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -76.98 -25.7 53.05 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.179 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.72 -35.79 26.39 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.989 1.268 . . . . 0.0 113.139 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 pp -71.9 -17.76 62.08 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -174.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -89.54 -6.59 56.21 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 175.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -76.61 154.21 34.59 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.215 -0.928 . . . . 0.0 112.281 178.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.361 0 C-N-CA 125.357 1.456 . . . . 0.0 114.143 -178.937 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.475 0 CA-C-O 118.894 -0.948 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -59.7 154.57 48.24 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.229 3.286 . . . . 0.0 114.635 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -75.44 175.56 51.2 Favored Glycine 0 CA--C 1.541 1.687 0 C-N-CA 124.504 1.049 . . . . 0.0 114.125 174.512 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 87.0 p -152.72 166.66 31.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.034 1.334 . . . . 0.0 112.452 178.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.85 -13.11 60.87 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.521 1.304 . . . . 0.0 114.521 -179.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.99 147.56 85.68 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 125.18 1.392 . . . . 0.0 112.951 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.8 134.0 33.39 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.25 2.633 . . . . 0.0 112.51 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 pp -90.04 -12.99 36.91 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.067 1.347 . . . . 0.0 113.79 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -129.03 11.99 6.09 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.43 1.492 . . . . 0.0 114.207 -167.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 2.4 t -152.63 122.4 6.92 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.22 1.01 . . . . 0.0 111.447 171.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -27.95 23.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.496 1.118 . . . . 0.0 112.782 173.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.86 -38.38 88.04 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.489 1.041 . . . . 0.0 111.378 176.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -69.24 -37.55 78.05 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.654 0.782 . . . . 0.0 112.437 175.365 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.95 -53.45 17.75 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.398 -0.814 . . . . 0.0 112.701 179.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 30.8 mm -61.45 -27.41 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.992 1.717 . . . . 0.0 113.388 -174.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -74.84 -21.85 59.03 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 121.172 -0.955 . . . . 0.0 113.471 172.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -92.1 -42.77 4.57 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.764 1.173 . . . . 0.0 114.44 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 pp -74.3 163.64 27.57 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.527 1.131 . . . . 0.0 113.309 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.03 175.14 5.6 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.561 1.144 . . . . 0.0 113.557 -173.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 47.1 p-10 -58.65 -29.18 66.37 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -178.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -67.25 -34.0 76.52 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.318 1.047 . . . . 0.0 112.45 173.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -77.79 -32.13 52.23 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.696 1.199 . . . . 0.0 111.706 175.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.48 -47.14 77.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.43 0.692 . . . . 0.0 110.869 169.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.53 -32.22 70.12 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.346 -0.846 . . . . 0.0 113.255 176.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.08 -17.14 64.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 177.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 pp -119.91 -25.27 5.87 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 8.1 mp -73.02 -34.64 66.49 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.138 0.975 . . . . 0.0 112.368 170.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 56.61 -123.9 33.35 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 124.893 1.235 . . . . 0.0 113.183 174.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -62.65 -21.79 65.96 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.77 1.228 . . . . 0.0 113.62 179.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -89.06 1.25 55.85 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.796 1.238 . . . . 0.0 113.907 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.45 148.74 40.8 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.962 -1.086 . . . . 0.0 112.792 178.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.474 HG22 HD21 ' B' ' 170' ' ' ASN . 4.3 tp -66.87 145.36 13.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 121.243 -0.91 . . . . 0.0 112.765 -174.132 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -92.65 -3.04 55.59 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 174.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -68.68 151.75 46.27 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.861 1.264 . . . . 0.0 113.374 175.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.04 160.46 46.46 Favored Glycine 0 CA--C 1.54 1.6 0 C-N-CA 124.304 0.954 . . . . 0.0 113.984 176.504 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.54 156.21 49.44 Favored Glycine 0 CA--C 1.543 1.782 0 C-N-CA 124.523 1.058 . . . . 0.0 113.938 176.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.69 154.07 49.66 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.517 1.056 . . . . 0.0 113.739 177.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -73.21 149.14 43.11 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.353 1.061 . . . . 0.0 112.3 176.051 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 68.57 -152.64 52.52 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.297 0.951 . . . . 0.0 114.453 177.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -175.33 171.84 44.93 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.772 1.177 . . . . 0.0 113.54 178.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 179.86 176.75 47.54 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.642 1.115 . . . . 0.0 113.525 -178.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 78.9 p -70.66 153.0 43.27 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.246 1.419 . . . . 0.0 113.477 177.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.52 -165.18 36.24 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.558 1.075 . . . . 0.0 114.344 176.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 77.48 -158.32 47.15 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.681 1.134 . . . . 0.0 114.364 176.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 82.15 0.07 89.27 Favored Glycine 0 N--CA 1.474 1.233 0 C-N-CA 125.404 1.478 . . . . 0.0 115.374 -179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 97.1 p -61.88 -22.43 65.54 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -178.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 53.4 tpp -74.72 -23.36 58.58 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.502 1.121 . . . . 0.0 113.527 177.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -77.87 67.52 3.75 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.119 1.367 . . . . 0.0 113.554 -172.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.7 152.54 30.49 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 125.823 1.649 . . . . 0.0 112.631 176.109 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.36 155.02 56.13 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.127 2.551 . . . . 0.0 112.143 173.324 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 49.1 p -87.03 154.43 20.77 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 112.291 170.005 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 50.2 m -145.91 -15.48 0.47 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.942 1.697 . . . . 0.0 113.777 -178.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 9.6 t -148.92 -149.92 0.32 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.348 1.859 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -62.65 146.04 53.12 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.706 -1.247 . . . . 0.0 112.692 174.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -61.09 -40.61 98.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 123.762 0.696 . . . . 0.0 114.159 -176.515 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -63.03 -38.88 92.95 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.068 0.934 . . . . 0.0 111.651 174.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -72.14 -49.26 37.3 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.325 1.45 . . . . 0.0 111.056 -175.708 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -65.41 -36.11 82.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 112.405 178.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -68.05 -55.69 11.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.995 0.816 . . . . 0.0 111.575 173.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -62.75 -45.47 92.54 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.041 0.936 . . . . 0.0 112.653 -174.603 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.97 -40.33 87.43 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 121.282 -0.886 . . . . 0.0 112.876 178.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 26.9 t -59.49 -46.8 87.77 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.913 0.885 . . . . 0.0 111.973 173.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -63.51 -49.6 72.89 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.906 1.683 . . . . 0.0 111.721 179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.84 -31.62 72.68 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.099 0.959 . . . . 0.0 112.736 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 14.3 p -70.36 -30.33 67.24 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.506 1.503 . . . . 0.0 113.589 173.452 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -87.02 -31.99 20.26 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 113.753 -178.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.27 152.36 45.86 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.264 1.026 . . . . 0.0 112.764 175.457 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 38.0 t -69.38 156.57 38.6 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.355 1.462 . . . . 0.0 112.541 178.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -53.68 -36.74 62.49 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.849 1.26 . . . . 0.0 112.19 169.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.474 HD21 HG22 ' B' ' 132' ' ' ILE . 13.2 m120 -68.94 -43.52 74.91 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.501 0.72 . . . . 0.0 112.486 175.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -64.82 -41.18 95.96 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.129 0.972 . . . . 0.0 111.576 176.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 40.6 mt -60.66 -45.05 95.59 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.524 1.13 . . . . 0.0 112.319 176.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 69.4 mtm -60.65 -41.05 94.17 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.548 0.613 . . . . 0.0 111.851 173.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -71.81 -46.97 56.4 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.62 -35.42 80.75 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.034 0.834 . . . . 0.0 111.552 177.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -65.6 -45.02 84.79 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.5 0.72 . . . . 0.0 112.072 173.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -62.21 -43.41 98.89 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.134 -0.979 . . . . 0.0 111.057 176.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -61.84 -46.07 91.05 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.964 0.906 . . . . 0.0 112.501 176.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.0 -23.62 63.17 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.32 0.964 . . . . 0.0 113.135 177.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -76.83 -32.81 57.82 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.376 1.47 . . . . 0.0 113.007 171.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -74.32 -36.16 63.68 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.717 1.207 . . . . 0.0 112.854 177.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -81.09 -28.25 35.31 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 179.614 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -71.54 -29.59 64.93 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.369 0.986 . . . . 0.0 112.979 -176.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.04 -8.97 59.39 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -107.08 8.89 30.5 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.851 1.26 . . . . 0.0 113.963 176.001 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -66.42 155.96 35.99 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.82 1.248 . . . . 0.0 112.641 174.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.356 0 CA-C-O 117.748 -1.584 . . . . 0.0 114.293 178.18 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.433 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -69.38 154.54 69.1 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 124.131 3.221 . . . . 0.0 113.027 178.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.12 167.81 28.52 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.722 1.153 . . . . 0.0 114.885 179.413 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 t 61.23 159.18 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.308 2.243 . . . . 0.0 115.415 -173.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 8.3 m-30 -91.02 -17.51 26.14 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.821 1.648 . . . . 0.0 113.368 176.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.85 147.8 0.09 OUTLIER Pre-proline 0 CA--C 1.556 1.207 0 C-N-CA 128.88 2.872 . . . . 0.0 115.834 -175.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.7 150.79 51.05 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.263 2.642 . . . . 0.0 112.937 177.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -110.42 -20.44 12.59 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.38 1.472 . . . . 0.0 112.98 169.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.17 -27.6 65.82 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.552 1.541 . . . . 0.0 112.956 -177.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 38.8 p -61.03 -28.88 69.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.463 1.505 . . . . 0.0 112.853 176.057 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -80.25 -39.66 28.54 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.166 0.894 . . . . 0.0 111.947 177.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.77 -54.2 30.26 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.072 0.949 . . . . 0.0 110.859 177.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.3 m -67.28 -24.57 65.79 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -176.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -65.58 -51.45 59.63 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.842 0.746 . . . . 0.0 110.867 168.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.66 -30.48 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.12 1.368 . . . . 0.0 112.98 178.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.0 -27.17 67.21 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 120.94 -1.1 . . . . 0.0 113.461 171.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.59 -40.77 5.9 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.466 1.032 . . . . 0.0 115.176 -174.343 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.96 166.29 23.52 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.302 1.441 . . . . 0.0 113.329 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.06 177.15 4.76 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.068 1.747 . . . . 0.0 113.574 -172.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -58.35 -30.61 66.87 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -176.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -66.09 -35.52 80.74 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.149 -0.969 . . . . 0.0 112.578 172.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -77.3 -30.99 54.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.169 0.988 . . . . 0.0 112.497 175.218 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.3 mt -68.06 -46.79 70.11 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.724 0.81 . . . . 0.0 110.542 171.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -28.93 67.6 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.935 0.894 . . . . 0.0 113.068 176.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -17.52 64.91 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 176.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 pp -121.0 -26.87 5.07 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 176.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 mp -71.29 -34.15 70.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.248 1.019 . . . . 0.0 111.703 168.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.08 -135.74 45.93 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.226 1.394 . . . . 0.0 113.103 175.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -63.71 -17.6 63.15 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.645 1.178 . . . . 0.0 113.304 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -87.87 -0.58 57.16 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.284 1.434 . . . . 0.0 114.024 177.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -55.59 145.56 23.03 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.828 1.251 . . . . 0.0 112.869 176.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.43 HG22 HD21 ' A' ' 70' ' ' ASN . 2.3 tp -61.5 141.88 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.898 0.879 . . . . 0.0 112.755 -173.28 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.71 -10.78 52.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 173.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -80.13 165.62 22.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.366 1.467 . . . . 0.0 113.754 -175.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.74 157.72 29.2 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.291 1.425 . . . . 0.0 112.412 174.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.34 -173.15 40.37 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.194 0.902 . . . . 0.0 114.376 -173.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.69 43.45 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.255 0.931 . . . . 0.0 114.146 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.9 t -157.34 148.2 21.44 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.521 1.528 . . . . 0.0 110.613 178.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.13 171.08 40.31 Favored Glycine 0 CA--C 1.535 1.298 0 N-CA-C 115.074 0.79 . . . . 0.0 115.074 179.087 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -80.86 -178.53 52.39 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 125.065 1.316 . . . . 0.0 113.826 174.557 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.48 108.78 2.6 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.375 0.988 . . . . 0.0 112.924 177.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 83.4 p -78.58 157.75 28.67 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.733 1.213 . . . . 0.0 113.376 177.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 173.54 152.28 8.75 Favored Glycine 0 CA--C 1.545 1.919 0 C-N-CA 124.985 1.279 . . . . 0.0 112.93 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.95 -167.11 46.36 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 127.507 2.48 . . . . 0.0 115.073 -0.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.62 -149.55 43.58 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 124.628 1.108 . . . . 0.0 114.355 178.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.9 t 65.21 6.37 3.54 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.874 2.07 . . . . 0.0 116.079 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm 53.3 37.77 26.13 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 126.306 1.842 . . . . 0.0 114.24 173.366 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -62.28 148.28 45.45 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.661 0.784 . . . . 0.0 113.112 -177.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -93.33 159.33 35.46 Favored Pre-proline 0 N--CA 1.475 0.803 0 C-N-CA 124.964 1.306 . . . . 0.0 112.239 -179.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -58.37 151.85 57.99 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.273 2.648 . . . . 0.0 113.888 177.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -155.22 154.43 32.2 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.993 1.317 . . . . 0.0 111.697 178.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -72.63 -20.73 61.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.828 1.251 . . . . 0.0 113.082 176.152 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.2 m -72.0 127.52 32.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.152 0.981 . . . . 0.0 112.092 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 46.73 -115.14 0.57 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.412 1.885 . . . . 0.0 113.877 173.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.72 -37.54 2.8 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.826 1.679 . . . . 0.0 115.139 172.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -60.29 -36.63 78.31 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.339 1.055 . . . . 0.0 112.644 -179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -85.07 -43.1 14.21 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.878 1.671 . . . . 0.0 112.526 172.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -69.15 -46.8 66.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.277 1.031 . . . . 0.0 112.603 -168.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -70.29 -37.56 74.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.632 -0.667 . . . . 0.0 112.013 176.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -68.39 -48.13 65.52 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 124.581 1.152 . . . . 0.0 111.958 -178.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.91 -35.11 79.57 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.849 0.86 . . . . 0.0 111.773 177.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.7 m -62.94 -40.23 97.03 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.505 -0.747 . . . . 0.0 112.243 172.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -71.59 -39.48 70.49 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.092 -1.005 . . . . 0.0 112.175 177.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.93 -21.06 64.23 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 119.49 1.041 . . . . 0.0 112.422 171.742 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.4 t -76.23 -38.31 56.56 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.63 -1.294 . . . . 0.0 112.73 167.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -63.86 -48.88 74.96 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.184 1.394 . . . . 0.0 113.753 174.203 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.45 156.32 39.59 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.912 1.285 . . . . 0.0 114.071 -167.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.9 t -72.75 158.64 35.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.391 1.476 . . . . 0.0 112.787 175.774 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -50.47 -43.39 55.4 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.27 1.428 . . . . 0.0 112.536 175.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.43 HD21 HG22 ' A' ' 32' ' ' ILE . 11.9 m120 -64.64 -36.53 84.56 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.318 1.047 . . . . 0.0 113.341 175.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.99 -41.82 73.88 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.796 0.838 . . . . 0.0 111.345 176.08 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.31 -39.38 92.85 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.908 0.776 . . . . 0.0 112.578 172.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 55.7 mtm -59.03 -46.47 88.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.213 0.915 . . . . 0.0 111.612 170.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.68 58.0 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -174.388 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -62.44 -37.29 85.32 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.676 1.126 . . . . 0.0 111.791 178.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.49 74.0 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.877 0.871 . . . . 0.0 112.146 177.474 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.66 -45.41 83.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.918 0.887 . . . . 0.0 110.778 173.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -57.92 -50.94 71.66 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.78 1.232 . . . . 0.0 112.735 177.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.8 pp -65.94 -27.69 68.36 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 118.825 0.739 . . . . 0.0 112.601 -179.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -78.95 -33.51 45.21 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.23 1.012 . . . . 0.0 113.206 174.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -72.64 -38.45 67.7 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.583 0.753 . . . . 0.0 111.816 177.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -77.43 -18.33 57.32 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -179.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.77 -33.02 31.15 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.853 1.206 . . . . 0.0 112.46 179.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 pp -82.58 -14.87 54.09 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.35 -5.16 57.72 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.37 1.068 . . . . 0.0 113.387 175.766 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -67.77 155.89 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.712 1.205 . . . . 0.0 113.141 178.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.212 0 C-N-CA 125.629 1.585 . . . . 0.0 113.496 -178.45 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.511 -0.636 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.54 166.02 30.68 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 124.262 3.308 . . . . 0.0 113.217 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . -67.02 162.68 45.87 Favored Glycine 0 CA--C 1.54 1.622 0 C-N-CA 124.037 0.827 . . . . 0.0 113.058 169.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.502 1.121 . . . . 0.0 112.45 -174.465 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -68.55 -23.89 64.57 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.594 1.158 . . . . 0.0 112.814 168.2 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 60.35 158.89 0.11 Allowed Pre-proline 0 CA--C 1.562 1.416 0 C-N-CA 128.373 2.669 . . . . 0.0 115.62 -175.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.64 151.06 83.5 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.148 2.565 . . . . 0.0 113.238 176.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.79 -17.73 58.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.704 0.802 . . . . 0.0 112.851 167.712 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -85.77 3.94 39.11 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.382 1.873 . . . . 0.0 114.785 -175.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 77.6 p -62.07 154.92 25.47 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.09 0.956 . . . . 0.0 113.175 179.137 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -63.01 -40.72 98.6 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.592 1.157 . . . . 0.0 111.631 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.69 -42.48 95.3 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.74 0.816 . . . . 0.0 111.091 176.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -63.8 -41.04 97.98 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.323 0.649 . . . . 0.0 111.91 176.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -66.47 -51.86 52.29 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.457 -0.777 . . . . 0.0 112.442 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 32.5 mm -64.67 -29.44 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.218 1.407 . . . . 0.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -71.72 -23.17 61.58 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.81 -1.181 . . . . 0.0 113.208 169.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -89.77 -44.98 4.69 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.989 1.28 . . . . 0.0 114.491 -177.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.36 169.54 17.46 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.477 1.111 . . . . 0.0 113.642 178.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.73 177.34 6.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.629 1.172 . . . . 0.0 113.597 -172.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -58.05 -30.76 66.43 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 -170.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -66.25 -34.6 78.38 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.262 -0.899 . . . . 0.0 112.478 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -76.21 -36.28 58.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.887 1.275 . . . . 0.0 111.476 175.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.8 -48.05 80.81 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.964 0.906 . . . . 0.0 110.795 172.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.59 -32.62 71.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.798 0.839 . . . . 0.0 113.035 176.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.28 -25.67 65.27 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 177.802 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 pp -104.97 -27.61 11.57 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 178.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -74.24 -35.93 63.88 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.56 1.144 . . . . 0.0 112.192 171.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.9 -133.49 46.58 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.526 1.06 . . . . 0.0 112.921 173.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.28 -17.91 64.08 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -89.19 4.09 49.76 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.924 1.289 . . . . 0.0 113.653 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.2 147.19 25.81 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.113 -0.992 . . . . 0.0 112.769 176.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.436 HG22 HD21 ' B' ' 170' ' ' ASN . 5.9 tp -66.37 145.76 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 -169.318 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -97.47 0.34 47.46 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.828 1.251 . . . . 0.0 113.592 174.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -78.3 145.11 35.55 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.554 1.142 . . . . 0.0 112.735 -177.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -107.28 -161.82 21.63 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.787 1.661 . . . . 0.0 113.868 176.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 79.81 6.07 89.21 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 124.854 1.216 . . . . 0.0 115.764 174.953 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -72.72 169.74 52.01 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 118.844 1.322 . . . . 0.0 114.397 175.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 27.0 t -153.56 148.39 26.49 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.223 1.409 . . . . 0.0 112.064 177.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -72.06 149.53 44.47 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.873 1.225 . . . . 0.0 113.95 -177.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . 177.93 170.31 39.98 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.564 1.078 . . . . 0.0 113.414 179.008 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 173.29 174.7 40.52 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.664 1.126 . . . . 0.0 113.783 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 43.8 t -155.78 151.49 27.32 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.954 1.302 . . . . 0.0 111.689 179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -73.96 -10.0 80.36 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.301 0.953 . . . . 0.0 114.232 170.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 71.53 -156.82 53.03 Favored Glycine 0 CA--C 1.538 1.478 0 CA-C-N 118.688 1.244 . . . . 0.0 114.058 -179.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . 179.73 -14.4 0.03 OUTLIER Glycine 0 CA--C 1.533 1.198 0 N-CA-C 115.946 1.138 . . . . 0.0 115.946 179.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 76.0 p -81.1 -6.57 58.97 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.307 1.443 . . . . 0.0 114.86 175.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 63.6 ttp -62.86 139.5 58.73 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.714 1.206 . . . . 0.0 112.667 -178.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 57.57 32.22 21.5 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.215 1.406 . . . . 0.0 114.143 -179.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -131.3 153.86 81.78 Favored Pre-proline 0 N--CA 1.483 1.19 0 C-N-CA 126.384 1.874 . . . . 0.0 111.3 176.38 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -61.94 156.98 45.96 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.191 2.594 . . . . 0.0 113.964 178.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 9.3 t -138.28 152.78 48.86 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.83 1.252 . . . . 0.0 112.045 172.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 41.4 t -69.48 140.33 54.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.289 1.436 . . . . 0.0 112.849 -173.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 66.5 p -73.48 -22.84 60.05 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.661 1.184 . . . . 0.0 113.217 170.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -92.78 -13.92 28.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.202 1.401 . . . . 0.0 113.728 176.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.02 2.81 82.91 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.543 1.544 . . . . 0.0 114.339 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 50.3 p-90 -58.14 -37.29 74.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 118.368 1.084 . . . . 0.0 112.233 -173.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 -28.06 43.41 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -178.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -82.34 -50.85 8.47 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.286 1.034 . . . . 0.0 112.672 178.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -71.33 -41.56 69.67 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.712 -0.618 . . . . 0.0 112.457 -174.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -61.75 -48.69 79.56 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.573 -0.705 . . . . 0.0 111.606 177.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 40.8 tp -64.74 -32.63 74.4 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.659 -0.651 . . . . 0.0 111.976 176.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 41.5 t -63.7 -39.41 94.24 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.972 0.909 . . . . 0.0 112.964 173.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -65.56 -49.63 68.13 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 119.744 1.157 . . . . 0.0 110.178 170.296 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.91 -28.35 69.46 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.557 1.143 . . . . 0.0 113.337 -174.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 88.0 p -75.67 -30.89 59.54 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 120.02 1.282 . . . . 0.0 113.625 171.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -87.24 -33.94 19.13 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.731 1.613 . . . . 0.0 114.452 -176.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 7.6 mp -66.8 150.72 48.74 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.065 1.346 . . . . 0.0 112.694 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 41.2 t -68.93 155.04 40.98 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.939 1.296 . . . . 0.0 111.714 174.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.78 -33.72 68.82 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 120.933 -1.104 . . . . 0.0 112.373 175.29 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.436 HD21 HG22 ' B' ' 132' ' ' ILE . 31.3 m120 -63.08 -42.0 99.54 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.943 0.897 . . . . 0.0 112.52 170.764 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -66.78 -40.34 88.14 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.977 0.911 . . . . 0.0 112.235 174.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 21.0 mt -63.11 -42.9 99.66 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.662 0.665 . . . . 0.0 112.254 174.276 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.2 -46.0 79.62 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.659 0.663 . . . . 0.0 111.843 170.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.82 -42.23 61.19 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -174.56 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.61 -39.28 91.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.92 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.337 1.055 . . . . 0.0 112.367 176.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.74 -46.23 86.32 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.774 0.829 . . . . 0.0 110.981 175.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -62.19 -46.4 89.11 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.681 0.792 . . . . 0.0 112.942 179.157 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.6 -22.38 63.51 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 177.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -77.61 -38.48 48.0 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.097 0.959 . . . . 0.0 112.322 171.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -66.33 -31.47 72.28 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.166 0.987 . . . . 0.0 113.126 -177.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -82.75 -38.06 23.77 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.711 0.804 . . . . 0.0 113.061 174.366 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -70.93 -21.26 62.37 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.27 1.396 . . . . 0.0 113.873 -174.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.25 -6.25 50.58 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 174.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -134.35 -26.33 1.46 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 177.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 54.94 15.28 1.11 Allowed 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 117.65 2.463 . . . . 0.0 117.65 171.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.219 0 C-N-CA 127.683 2.563 . . . . 0.0 113.673 177.183 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 CA-C-O 119.837 -0.424 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -74.74 160.98 40.19 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.036 3.158 . . . . 0.0 112.599 176.072 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.86 170.58 54.65 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 123.815 0.721 . . . . 0.0 113.295 169.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.1 m -62.59 141.16 58.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.554 1.141 . . . . 0.0 112.484 178.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -69.18 -35.2 76.03 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.201 1.0 . . . . 0.0 113.515 -177.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 62.54 163.42 0.11 Allowed Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 128.075 2.55 . . . . 0.0 115.27 -177.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -64.0 167.26 14.45 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 123.604 2.87 . . . . 0.0 113.859 174.525 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -96.22 -34.89 11.47 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.337 1.055 . . . . 0.0 112.024 163.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -88.74 55.56 3.42 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.587 2.355 . . . . 0.0 110.167 171.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.2 p -61.49 175.07 0.64 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.346 1.859 . . . . 0.0 113.839 178.172 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -56.08 -27.94 55.63 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.875 1.27 . . . . 0.0 113.803 -177.164 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.06 -39.32 85.58 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.497 1.119 . . . . 0.0 111.847 177.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -64.81 -31.38 72.58 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.217 1.007 . . . . 0.0 112.731 176.571 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -76.78 -46.94 23.18 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.942 0.897 . . . . 0.0 111.605 176.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.6 mm -65.06 -32.78 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.892 1.277 . . . . 0.0 112.992 178.684 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -75.34 -18.18 60.06 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.01 0.924 . . . . 0.0 113.35 171.028 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.26 -39.94 5.9 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.388 1.47 . . . . 0.0 114.707 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -74.14 174.84 8.14 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.646 1.178 . . . . 0.0 113.534 176.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.77 177.04 7.83 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 124.92 1.288 . . . . 0.0 113.398 -175.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.29 -30.02 66.3 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.384 1.474 . . . . 0.0 114.305 -172.326 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.89 -32.05 73.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.999 0.92 . . . . 0.0 112.387 173.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -79.97 -39.07 30.88 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.271 1.028 . . . . 0.0 111.4 173.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -60.62 -45.31 94.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.306 0.642 . . . . 0.0 111.292 176.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.24 -32.16 73.68 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 176.349 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.54 -38.87 77.68 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.484 0.584 . . . . 0.0 112.535 175.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.4 -30.23 19.65 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.41 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.36 -38.27 30.75 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.219 1.007 . . . . 0.0 112.03 171.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.85 -124.15 30.07 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 123.421 0.534 . . . . 0.0 112.358 176.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.2 -25.32 66.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.77 1.228 . . . . 0.0 113.242 178.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -83.82 -0.76 52.44 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 177.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -63.25 137.96 58.38 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.146 -0.971 . . . . 0.0 112.292 177.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.413 HG22 HD21 ' A' ' 70' ' ' ASN . 6.0 tp -60.27 147.83 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.12 0.968 . . . . 0.0 112.276 -176.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -87.97 -8.31 55.85 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -73.53 144.43 46.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.793 1.237 . . . . 0.0 113.131 175.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.99 175.31 46.54 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.452 1.025 . . . . 0.0 114.184 174.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.32 71.69 Favored Glycine 0 CA--C 1.538 1.515 0 N-CA-C 115.306 0.882 . . . . 0.0 115.306 171.055 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.37 -20.81 69.89 Favored Glycine 0 CA--C 1.541 1.688 0 C-N-CA 124.694 1.14 . . . . 0.0 115.641 -175.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.7 t -68.97 130.52 43.01 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.637 1.219 . . . . 0.0 111.809 178.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.31 -158.64 31.57 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 124.831 1.205 . . . . 0.0 113.452 -178.169 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.66 -153.18 47.12 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.129 0.871 . . . . 0.0 114.557 176.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.53 -177.25 54.37 Favored Glycine 0 CA--C 1.539 1.551 0 C-N-CA 125.248 1.404 . . . . 0.0 114.732 -178.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 t -158.79 152.17 22.81 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.647 1.579 . . . . 0.0 111.918 -177.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.98 -14.46 80.24 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 124.293 0.949 . . . . 0.0 114.462 170.417 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.06 17.24 77.04 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 116.086 1.194 . . . . 0.0 116.086 173.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.6 134.85 38.47 Favored Glycine 0 CA--C 1.537 1.423 0 CA-C-N 118.795 1.297 . . . . 0.0 113.304 -179.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 64.6 p -75.32 -45.48 39.35 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.56 1.144 . . . . 0.0 113.853 -173.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 1.7 tmt? 61.68 155.17 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.611 2.364 . . . . 0.0 114.053 -171.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -75.09 38.2 0.13 Allowed 'General case' 0 CA--C 1.551 1.008 0 O-C-N 120.114 -1.616 . . . . 0.0 113.789 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -70.89 149.8 95.04 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 126.264 1.826 . . . . 0.0 113.314 -175.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -69.22 161.46 45.78 Favored 'Trans proline' 0 CA--C 1.543 0.97 0 C-N-CA 123.604 2.869 . . . . 0.0 112.601 175.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.5 p -69.11 147.22 51.76 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.86 1.264 . . . . 0.0 112.233 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.5 m -141.56 145.96 35.73 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.439 1.496 . . . . 0.0 112.066 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.9 m -72.77 152.71 41.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.625 1.17 . . . . 0.0 112.515 177.024 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 58.8 -84.22 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 127.518 2.327 . . . . 0.0 114.779 176.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.62 -15.49 9.61 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 125.541 1.543 . . . . 0.0 116.726 173.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -60.41 -42.45 96.02 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.293 1.547 . . . . 0.0 112.685 -177.245 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -68.09 -38.4 82.28 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.66 1.184 . . . . 0.0 113.057 178.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -68.43 -47.37 67.4 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.637 1.175 . . . . 0.0 111.261 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -60.87 -51.62 68.52 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.418 1.087 . . . . 0.0 111.516 176.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -66.36 -53.22 38.66 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.304 1.042 . . . . 0.0 112.627 -175.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.5 tp -65.59 -35.54 81.11 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.506 -0.746 . . . . 0.0 112.264 -177.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.6 t -63.72 -47.7 80.04 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.608 -0.683 . . . . 0.0 112.108 177.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -69.34 -37.88 77.9 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.596 1.089 . . . . 0.0 113.509 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.47 -27.96 68.95 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.865 0.757 . . . . 0.0 112.796 176.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.8 p -70.42 -29.7 66.38 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.587 1.085 . . . . 0.0 113.508 172.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -81.14 -33.72 32.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.588 1.555 . . . . 0.0 112.818 179.391 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.32 149.74 49.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.205 1.402 . . . . 0.0 112.445 -179.36 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 t -65.27 156.45 31.92 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.852 1.261 . . . . 0.0 112.312 174.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -57.16 -32.38 66.35 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.043 -1.036 . . . . 0.0 112.268 167.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.413 HD21 HG22 ' A' ' 32' ' ' ILE . 36.4 m120 -64.09 -44.81 91.22 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.354 0.662 . . . . 0.0 111.979 171.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -69.69 -36.8 76.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.969 0.908 . . . . 0.0 111.928 178.038 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 mt -61.27 -43.64 98.55 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.501 1.12 . . . . 0.0 112.111 173.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 32.7 mtm -59.83 -47.21 86.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.241 0.473 . . . . 0.0 111.776 169.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -46.44 77.76 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -175.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.22 -38.91 89.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.058 0.845 . . . . 0.0 111.74 178.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.24 87.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.587 0.755 . . . . 0.0 111.963 177.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -63.37 -45.71 89.87 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.605 0.762 . . . . 0.0 111.206 177.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -61.92 -46.39 89.53 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.559 0.744 . . . . 0.0 112.582 177.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.53 -25.69 63.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.133 0.879 . . . . 0.0 113.324 177.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.02 -34.16 64.03 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.601 1.16 . . . . 0.0 112.649 172.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.33 -37.21 74.64 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.396 1.078 . . . . 0.0 112.528 -179.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -81.01 -35.78 31.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -66.4 -30.67 71.1 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.794 -1.191 . . . . 0.0 112.776 -175.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 pp -77.02 -7.41 55.61 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.203 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -114.05 -0.03 14.17 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 174.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -67.7 143.88 55.73 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.216 -0.927 . . . . 0.0 112.121 169.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.313 0 C-N-CA 125.352 1.453 . . . . 0.0 113.851 179.799 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 CA-C-O 119.677 -0.513 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -58.37 145.95 91.8 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 124.177 3.251 . . . . 0.0 113.991 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' GLY . . . . . . . . . . . . . . . 148.7 -156.87 27.06 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.231 1.396 . . . . 0.0 112.786 -177.598 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 47.3 t -149.48 144.62 26.42 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.443 1.497 . . . . 0.0 111.427 173.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -79.92 -17.28 53.48 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.131 1.372 . . . . 0.0 114.058 -179.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . 61.79 153.59 0.11 Allowed Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 127.719 2.407 . . . . 0.0 114.93 -171.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.18 156.94 62.36 Favored 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 123.162 2.575 . . . . 0.0 113.887 179.315 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 pp -140.65 -30.21 0.65 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.292 1.837 . . . . 0.0 111.047 165.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -78.48 47.23 0.69 Allowed 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.809 2.443 . . . . 0.0 112.318 164.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -55.46 168.91 0.33 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.756 2.022 . . . . 0.0 114.152 177.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -56.03 -36.9 68.52 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.209 1.404 . . . . 0.0 112.599 -179.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.99 -48.49 76.19 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.568 0.747 . . . . 0.0 110.914 176.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 45.9 m -63.73 -31.27 72.4 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.237 1.015 . . . . 0.0 112.864 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -69.33 -53.9 17.26 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.66 0.784 . . . . 0.0 111.661 173.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 31.4 mm -60.43 -31.29 48.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.483 1.513 . . . . 0.0 113.074 177.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -70.42 -21.93 62.78 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.687 1.195 . . . . 0.0 113.579 171.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' GLY . . . . . . . . . . . . . . . -93.87 -42.53 4.09 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.234 1.397 . . . . 0.0 115.085 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.52 173.79 10.53 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.941 1.296 . . . . 0.0 113.828 -178.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.63 178.56 5.83 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.922 1.289 . . . . 0.0 113.574 -173.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 120' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -60.01 -32.08 70.54 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.868 1.267 . . . . 0.0 114.39 -168.745 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 121' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -66.01 -33.71 76.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.522 0.729 . . . . 0.0 112.368 174.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -76.74 -38.12 54.77 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.127 174.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 98.4 mt -60.25 -47.79 84.48 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.968 0.907 . . . . 0.0 110.963 174.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.79 81.68 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.43 84.66 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 175.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -32.93 30.97 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.678 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 9.1 mp -71.0 -49.16 48.3 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.524 1.056 . . . . 0.0 111.169 168.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.86 97.4 0.07 OUTLIER Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.086 1.327 . . . . 0.0 113.02 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt 62.3 -27.77 0.06 Allowed 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 128.379 2.672 . . . . 0.0 116.325 -177.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -81.77 1.86 32.64 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 113.904 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 131' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.72 151.68 10.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.913 1.685 . . . . 0.0 112.278 170.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 132' ' ' ILE . . . . . 0.577 HG22 HD21 ' B' ' 170' ' ' ASN . 3.5 tp -59.88 147.55 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.229 1.012 . . . . 0.0 113.03 -171.285 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -95.3 -5.54 43.33 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.254 1.022 . . . . 0.0 113.291 -179.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 134' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -81.54 154.8 26.06 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.754 1.622 . . . . 0.0 112.727 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.08 123.1 6.2 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.749 0.69 . . . . 0.0 112.823 173.008 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.17 164.7 10.98 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 125.022 1.296 . . . . 0.0 115.505 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -87.89 177.76 46.55 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.762 1.172 . . . . 0.0 113.98 176.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 90.5 p -118.24 12.19 13.39 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.705 1.602 . . . . 0.0 113.777 178.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.42 153.71 20.81 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 125.121 1.344 . . . . 0.0 114.502 -178.562 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . -91.51 -15.25 55.61 Favored Glycine 0 CA--C 1.54 1.604 0 C-N-CA 125.733 1.635 . . . . 0.0 114.096 166.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.41 -169.21 53.43 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 118.298 1.049 . . . . 0.0 114.305 178.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 142' ' ' SER . . . . . . . . . . . . . 23.7 m -90.7 -0.98 57.87 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 143' ' ' GLY . . . . . . . . . . . . . . . -62.42 138.2 45.21 Favored Glycine 0 CA--C 1.541 1.706 0 C-N-CA 124.266 0.936 . . . . 0.0 114.179 -175.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 144' ' ' GLY . . . . . . . . . . . . . . . 168.86 -163.86 37.56 Favored Glycine 0 CA--C 1.54 1.611 0 O-C-N 121.81 -0.818 . . . . 0.0 114.137 -177.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.22 -169.77 33.77 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.125 1.345 . . . . 0.0 113.377 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 146' ' ' SER . . . . . . . . . . . . . 8.4 t 60.3 -174.21 0.12 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.748 1.619 . . . . 0.0 113.886 -174.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 147' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -72.27 -10.29 59.59 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.029 1.732 . . . . 0.0 114.984 -176.113 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 148' ' ' ASN . . . . . . . . . . . . . 14.8 m120 60.63 -179.82 0.1 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.771 2.029 . . . . 0.0 113.863 -174.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.93 156.54 79.65 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 125.107 1.363 . . . . 0.0 113.439 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 150' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -59.45 159.27 23.99 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 123.49 2.793 . . . . 0.0 114.198 176.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 14.9 t -148.27 153.92 39.34 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.777 1.231 . . . . 0.0 112.162 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 152' ' ' SER . . . . . . . . . . . . . 18.7 t -159.58 -178.43 7.1 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.889 2.076 . . . . 0.0 110.347 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 153' ' ' SER . . . . . . . . . . . . . 33.5 t -58.96 -37.75 77.48 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.711 1.204 . . . . 0.0 113.874 -177.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 154' ' ' ASP . . . . . . . . . . . . . 51.0 p-10 -79.59 -11.12 59.89 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.107 1.363 . . . . 0.0 114.065 173.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 155' ' ' GLY . . . . . . . . . . . . . . . -68.55 -1.26 21.79 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.98 2.228 . . . . 0.0 116.057 -177.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 156' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -57.13 -33.25 67.17 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 118.742 1.271 . . . . 0.0 112.314 175.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 157' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -61.7 -53.27 58.35 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.886 1.274 . . . . 0.0 111.314 177.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -68.14 -36.72 80.14 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.709 1.604 . . . . 0.0 112.344 -176.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 159' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.07 -55.49 10.61 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.093 -1.004 . . . . 0.0 112.346 174.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -64.21 -50.75 66.82 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.537 1.135 . . . . 0.0 112.139 -175.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 161' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.97 -38.85 92.79 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.174 0.897 . . . . 0.0 112.332 -178.656 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 162' ' ' SER . . . . . . . . . . . . . 34.9 t -67.36 -43.84 80.45 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 175.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 163' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -61.74 -44.03 97.7 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.958 -1.089 . . . . 0.0 111.204 174.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 164' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.79 -34.24 75.55 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.658 0.783 . . . . 0.0 112.736 174.146 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 28.9 t -67.45 -37.77 83.46 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.14 0.882 . . . . 0.0 113.027 171.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 166' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -73.62 -26.35 60.74 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 176.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -75.63 149.47 38.2 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.992 1.317 . . . . 0.0 112.507 176.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 168' ' ' SER . . . . . . . . . . . . . 32.4 t -70.81 161.2 31.36 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.981 1.312 . . . . 0.0 112.916 175.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -50.15 -40.91 48.0 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.427 1.491 . . . . 0.0 112.272 169.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 170' ' ' ASN . . . . . 0.577 HD21 HG22 ' B' ' 132' ' ' ILE . 9.3 m120 -65.6 -42.64 91.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.426 1.09 . . . . 0.0 112.111 177.349 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 171' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -69.22 -37.51 78.07 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.94 1.296 . . . . 0.0 112.444 175.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 172' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.47 -44.09 97.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.928 1.291 . . . . 0.0 111.964 174.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 173' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.91 -42.17 99.7 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.975 -0.453 . . . . 0.0 111.954 171.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 174' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.97 70.21 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.161 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 175' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.06 -38.0 89.39 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.177 0.899 . . . . 0.0 111.657 178.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 176' ' ' ALA . . . . . . . . . . . . . . . -67.09 -42.33 84.8 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.278 1.031 . . . . 0.0 112.188 178.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 177' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.45 -46.3 83.73 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.661 0.784 . . . . 0.0 110.984 175.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 178' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -59.86 -48.46 81.62 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 179' ' ' LEU . . . . . . . . . . . . . 3.8 pp -66.78 -26.24 66.86 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.86 0.754 . . . . 0.0 112.706 -179.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 180' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -76.23 -37.27 57.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 171.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 181' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.48 -36.35 80.96 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.625 0.77 . . . . 0.0 112.023 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 182' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -84.43 -26.32 28.35 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 183' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.04 -31.25 58.74 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.358 1.435 . . . . 0.0 113.513 -177.863 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 184' ' ' LEU . . . . . . . . . . . . . 4.5 pp -71.76 -15.99 62.19 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.236 1.198 . . . . 0.0 114.236 -176.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 185' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -94.28 -0.3 55.13 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.52 1.128 . . . . 0.0 114.0 174.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 186' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -71.18 152.9 42.92 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.133 -0.98 . . . . 0.0 111.848 172.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 117.635 -1.647 . . . . 0.0 114.485 177.49 . . . . . . . . 0 0 . 1 stop_ save_