data_2jo4_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2jo4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.14 -10.78 0.39 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.732 1.613 . . . . 0.0 113.656 163.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.64 -81.08 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.9 2.08 . . . . 0.0 113.906 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.22 2.85 2.54 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.18 -51.06 5.78 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 124.568 1.147 . . . . 0.0 112.934 161.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -65.9 0.64 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.506 1.122 . . . . 0.0 113.496 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -24.41 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 123.156 0.582 . . . . 0.0 112.562 -168.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -76.1 -44.82 36.91 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.082 2.553 . . . . 0.0 109.647 -168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.12 78.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.293 1.037 . . . . 0.0 112.561 162.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.03 -35.49 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.834 -171.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.38 -20.49 65.56 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.39 -41.83 13.29 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 124.507 1.123 . . . . 0.0 113.185 172.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.29 -33.69 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 129.422 3.089 . . . . 0.0 109.171 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.41 -58.69 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 C-N-CA 125.715 1.606 . . . . 0.0 111.713 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -56.26 -39.93 73.39 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.578 0.751 . . . . 0.0 112.887 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.83 60.71 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 125.779 1.632 . . . . 0.0 114.372 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.01 -22.21 78.2 Favored Glycine 0 C--O 1.202 -1.852 0 C-N-CA 126.732 2.111 . . . . 0.0 112.791 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.51 29.3 72.92 Favored Glycine 0 N--CA 1.432 -1.59 0 CA-C-N 118.673 1.237 . . . . 0.0 114.777 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.177 -2.714 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -170.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.95 -10.92 57.35 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -7.85 0.25 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 127.245 2.218 . . . . 0.0 114.761 163.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.145 0.978 . . . . 0.0 112.652 -169.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.73 13.93 0.32 Allowed 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.35 -62.72 1.45 Allowed 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 119.473 -2.017 . . . . 0.0 112.386 153.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -35.14 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 122.111 0.958 . . . . 0.0 111.624 -169.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.16 -41.63 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 C-N-CA 125.737 1.615 . . . . 0.0 111.937 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -64.0 -38.31 90.59 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 123.697 0.799 . . . . 0.0 112.743 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.41 -52.72 64.39 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.72 164.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 0.7 OUTLIER -64.02 -44.82 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 120.14 1.337 . . . . 0.0 112.483 -173.346 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.3 -16.21 64.14 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -33.93 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.386 1.874 . . . . 0.0 111.93 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.96 -32.14 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.841 1.656 . . . . 0.0 109.63 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -59.26 -57.64 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 O-C-N 120.564 -1.335 . . . . 0.0 111.13 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -53.1 -44.64 67.77 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.566 1.546 . . . . 0.0 115.119 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.27 60.48 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.041 1.736 . . . . 0.0 113.701 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.55 -33.84 21.15 Favored Glycine 0 C--O 1.184 -2.969 0 C-N-CA 125.75 1.643 . . . . 0.0 113.786 -174.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.28 36.0 22.02 Favored Glycine 0 N--CA 1.42 -2.418 0 C-N-CA 127.553 2.502 . . . . 0.0 118.016 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.176 -2.804 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -175.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.066 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -55.67 -34.07 64.68 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 118.847 -2.408 . . . . 0.0 115.045 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.7 -12.69 1.97 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.467 1.907 . . . . 0.0 114.833 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' C' ' 51' ' ' ALA . . . -65.91 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.138 1.375 . . . . 0.0 112.225 -169.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.67 32.9 0.13 Allowed 'General case' 0 C--O 1.197 -1.67 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' C' ' 49' ' ' ALA . . . -121.65 -27.62 4.69 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 131.539 3.935 . . . . 0.0 112.825 170.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.44 -49.31 3.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.675 1.59 . . . . 0.0 112.527 167.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.15 -34.31 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 124.298 1.039 . . . . 0.0 111.504 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . 0.57 ' HG3' ' H ' ' C' ' 55' ' ' ALA . 18.2 ptmt -55.27 -61.3 2.42 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.72 1.208 . . . . 0.0 113.64 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . 0.57 ' H ' ' HG3' ' C' ' 54' ' ' LYS . . . -64.45 12.47 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.183 3.393 . . . . 0.0 115.427 166.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 mm -122.18 -50.07 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.949 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.87 -24.04 67.59 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 121.13 1.786 . . . . 0.0 113.676 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.37 -38.89 49.1 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.481 1.513 . . . . 0.0 113.116 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.4 -31.82 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.612 1.965 . . . . 0.0 110.89 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 mt -53.67 -51.56 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 O-C-N 120.018 -1.676 . . . . 0.0 110.873 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -61.26 -47.46 85.94 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 128.145 2.578 . . . . 0.0 111.445 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.56 71.4 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 125.875 1.67 . . . . 0.0 111.345 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.08 -35.86 89.67 Favored Glycine 0 C--O 1.198 -2.122 0 C-N-CA 130.433 3.873 . . . . 0.0 111.785 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.28 42.93 17.53 Favored Glycine 0 C--O 1.216 -0.974 0 C-N-CA 127.304 2.383 . . . . 0.0 113.704 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--O 1.175 -2.848 0 CA-C-O 123.71 1.719 . . . . 0.0 112.265 175.301 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.115 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -51.33 -51.48 53.99 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.037 1.735 . . . . 0.0 111.842 162.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.26 7.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.578 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.12 4.74 29.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.211 1.804 . . . . 0.0 115.134 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.39 -62.24 1.32 Allowed 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.987 -1.07 . . . . 0.0 110.109 150.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.23 65.64 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.389 1.876 . . . . 0.0 115.228 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -40.06 46.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.697 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -69.42 -44.25 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.398 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . 1.081 ' HZ2' ' CE ' ' D' ' 76' ' ' LYS . 88.0 mttt -71.13 -29.41 65.21 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.612 1.565 . . . . 0.0 114.284 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -64.58 0.9 Allowed 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.879 156.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.84 -39.79 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 118.43 -2.668 . . . . 0.0 112.064 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.68 -12.64 61.43 Favored 'General case' 0 C--O 1.196 -1.745 0 O-C-N 120.028 -1.67 . . . . 0.0 113.979 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.08 -35.65 10.35 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 119.573 -1.954 . . . . 0.0 113.464 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.93 -27.58 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.45 1.5 . . . . 0.0 109.294 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.25 -50.32 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 120.853 1.661 . . . . 0.0 111.992 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . 1.619 ' HZ1' ' CE ' ' D' ' 83' ' ' LYS . 11.3 tptt -53.93 -36.22 62.53 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.84 -42.43 14.15 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 125.323 1.449 . . . . 0.0 112.591 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.7 77.2 Favored Glycine 0 C--O 1.197 -2.186 0 C-N-CA 127.954 2.693 . . . . 0.0 115.063 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.66 32.62 57.13 Favored Glycine 0 C--O 1.182 -3.118 0 C-N-CA 125.21 1.386 . . . . 0.0 115.851 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--N 1.29 -1.996 0 C-N-CA 127.951 2.5 . . . . 0.0 117.024 177.071 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 5' ' ' ALA . 31.3 mtmt . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.33 1.03 0.09 Allowed 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.061 2.145 . . . . 0.0 116.387 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 3' ' ' LYS . . . -88.46 9.46 23.56 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 -160.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.88 -54.21 2.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.477 -1.39 . . . . 0.0 111.877 151.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.89 68.54 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 127.185 2.194 . . . . 0.0 113.47 -167.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.01 -40.27 15.98 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 119.494 1.043 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.47 -44.92 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.442 1.497 . . . . 0.0 112.502 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -65.22 -38.77 91.46 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.092 2.157 . . . . 0.0 110.27 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.25 5.38 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 118.745 0.702 . . . . 0.0 111.417 162.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -45.79 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.191 1.396 . . . . 0.0 113.357 -168.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.77 67.49 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.971 1.714 . . . . 0.0 113.987 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.61 -39.09 16.47 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.964 1.306 . . . . 0.0 112.34 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.76 -33.51 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 125.847 1.659 . . . . 0.0 109.593 172.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.21 -57.94 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 119.838 1.199 . . . . 0.0 112.13 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.65 32.04 Favored 'General case' 0 C--O 1.212 -0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 112.052 174.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.4 25.99 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.478 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.28 -39.18 44.41 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 128.28 2.848 . . . . 0.0 113.69 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 27.36 29.24 Favored Glycine 0 C--O 1.195 -2.323 0 C-N-CA 126.648 2.071 . . . . 0.0 114.06 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.179 -2.612 0 C-N-CA 126.272 1.829 . . . . 0.0 114.9 177.608 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.052 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -61.67 -16.08 45.74 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 167.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.61 -13.27 0.93 Allowed 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 125.488 1.515 . . . . 0.0 114.951 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -60.3 -92.99 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 129.402 3.081 . . . . 0.0 113.085 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.62 33.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.599 1.16 . . . . 0.0 112.588 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -112.83 -37.11 4.95 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 129.632 3.173 . . . . 0.0 111.934 166.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.87 -56.78 2.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 124.582 1.153 . . . . 0.0 111.313 172.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mm -52.68 -29.66 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 C-N-CA 126.26 1.824 . . . . 0.0 113.499 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.532 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 37.7 pttt -60.72 -60.7 3.38 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 123.687 1.708 . . . . 0.0 114.113 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.532 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -53.98 -48.07 70.73 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.623 -2.081 . . . . 0.0 111.467 167.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mm -67.66 -41.32 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 124.572 1.149 . . . . 0.0 110.948 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.22 66.31 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 121.359 1.89 . . . . 0.0 114.965 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.39 -38.03 16.53 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 126.966 2.106 . . . . 0.0 113.166 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.87 -34.94 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.476 2.311 . . . . 0.0 109.34 173.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 22.3 mt -64.54 -51.7 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 124.807 1.243 . . . . 0.0 111.256 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -56.69 -42.27 78.79 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 123.688 0.795 . . . . 0.0 113.138 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.69 68.26 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.21 2.204 . . . . 0.0 112.531 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.69 -15.1 81.5 Favored Glycine 0 C--O 1.218 -0.848 0 C-N-CA 127.786 2.613 . . . . 0.0 116.817 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.49 77.7 Favored Glycine 0 C--O 1.211 -1.293 0 O-C-N 120.857 -1.378 . . . . 0.0 115.102 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 C--O 1.2 -1.533 0 C-N-CA 127.504 2.322 . . . . 0.0 113.433 173.503 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.82 0 N-CA-C 115.448 1.648 . . . . 0.0 115.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' C' ' 49' ' ' ALA . 90.3 mttt -64.79 -13.98 57.38 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 173.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -4.58 0.53 Allowed 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.338 1.855 . . . . 0.0 114.816 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -74.76 -71.17 0.36 Allowed 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.725 1.61 . . . . 0.0 115.201 -167.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.47 -2.01 15.22 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.655 1.982 . . . . 0.0 115.957 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.66 -55.43 4.12 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.175 -0.953 . . . . 0.0 110.111 159.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.69 -69.54 0.24 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 126.466 1.906 . . . . 0.0 113.61 -173.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -18.89 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 O-C-N 120.692 -1.255 . . . . 0.0 112.257 -166.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -78.16 -40.7 37.09 Favored 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 127.766 2.427 . . . . 0.0 110.215 -171.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.07 95.52 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.467 -0.771 . . . . 0.0 112.98 161.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.15 -27.24 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.466 -166.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.4 65.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.168 -2.207 . . . . 0.0 113.397 167.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.69 -40.01 23.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.597 1.559 . . . . 0.0 113.054 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 mt -67.62 -28.17 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 126.38 1.872 . . . . 0.0 111.187 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.4 mt -61.51 -53.27 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.146 -1.596 . . . . 0.0 110.011 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.75 -41.84 99.39 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.805 1.642 . . . . 0.0 111.599 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.44 57.67 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 125.589 1.555 . . . . 0.0 113.861 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.59 -33.66 55.47 Favored Glycine 0 C--O 1.193 -2.463 0 C-N-CA 129.375 3.369 . . . . 0.0 112.815 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.15 25.42 34.01 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-N 119.505 1.652 . . . . 0.0 113.161 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--O 1.187 -2.209 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 177.597 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.539 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -77.67 -43.22 31.97 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 129.212 3.005 . . . . 0.0 112.689 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.83 -34.59 5.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.217 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.55 5.65 23.35 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.048 1.739 . . . . 0.0 114.559 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.97 -56.85 2.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.925 -0.56 . . . . 0.0 111.871 149.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.83 -40.62 60.81 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 127.54 2.336 . . . . 0.0 113.928 -170.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.72 22.56 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 123.582 1.658 . . . . 0.0 112.974 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.17 -42.83 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.202 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -62.01 -34.69 76.66 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 124.497 1.119 . . . . 0.0 111.885 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.72 -60.44 3.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.4 1.08 . . . . 0.0 109.312 165.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.298 1.5 tt -62.27 -45.75 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 O-C-N 120.626 -1.296 . . . . 0.0 111.696 -169.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.62 -16.75 63.44 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.97 -44.03 11.92 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 125.125 1.37 . . . . 0.0 110.761 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.43 -34.02 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 C-N-CA 126.855 2.062 . . . . 0.0 111.036 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.1 -48.48 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.41 1.484 . . . . 0.0 110.803 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -65.11 -46.51 80.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 126.585 1.954 . . . . 0.0 112.443 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -39.28 51.97 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.424 1.89 . . . . 0.0 113.103 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.65 80.42 Favored Glycine 0 C--O 1.212 -1.247 0 C-N-CA 125.8 1.667 . . . . 0.0 112.957 169.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.02 8.36 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 126.58 2.038 . . . . 0.0 112.842 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 C--O 1.205 -1.244 0 CA-C-N 119.158 1.479 . . . . 0.0 111.858 174.427 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.59 -11.48 1.35 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 126.995 2.118 . . . . 0.0 114.092 167.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.57 -87.19 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.871 1.668 . . . . 0.0 113.416 -167.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.44 1.29 Allowed 'General case' 0 N--CA 1.437 -1.092 0 O-C-N 119.559 -1.963 . . . . 0.0 115.214 -167.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.16 -44.32 9.32 Favored 'General case' 0 C--O 1.184 -2.394 0 C-N-CA 125.781 1.633 . . . . 0.0 111.633 164.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.0 -37.89 12.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 118.698 -2.502 . . . . 0.0 110.458 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.97 -39.35 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 124.896 1.278 . . . . 0.0 110.919 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -53.9 -51.02 65.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 119.575 1.08 . . . . 0.0 113.097 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.33 6.46 0.78 Allowed 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.233 2.213 . . . . 0.0 115.953 172.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -109.64 -61.99 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.416 2.286 . . . . 0.0 110.774 156.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -33.39 64.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 123.754 2.979 . . . . 0.0 113.733 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.08 76.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.339 1.456 . . . . 0.0 113.072 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.82 -34.43 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.645 1.978 . . . . 0.0 110.872 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.6 mt -51.86 -46.82 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-N 121.344 1.884 . . . . 0.0 110.948 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -75.22 -44.69 44.84 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.331 1.452 . . . . 0.0 113.859 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.65 -43.04 17.42 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.72 -36.28 93.09 Favored Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 125.713 1.625 . . . . 0.0 112.849 163.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 62.35 3.35 Favored Glycine 0 C--O 1.213 -1.181 0 C-N-CA 127.04 2.257 . . . . 0.0 112.315 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.428 -1.557 0 CA-C-N 120.172 1.986 . . . . 0.0 115.424 -175.024 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.49 -15.66 7.63 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.51 -13.42 0.37 Allowed 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 127.391 2.277 . . . . 0.0 112.876 165.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.034 2.534 . . . . 0.0 110.446 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.17 -26.98 68.08 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.04 -12.21 60.4 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.53 -69.22 0.82 Allowed 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.282 -1.512 . . . . 0.0 110.106 150.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 mm -58.78 -27.74 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 127.456 2.302 . . . . 0.0 113.631 -157.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.55 32.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.799 -1.188 . . . . 0.0 111.793 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.75 85.99 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.049 1.34 . . . . 0.0 110.915 163.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . 1.595 HD11 ' CG1' ' B' ' 34' ' ' ILE . 0.1 OUTLIER -72.93 -38.98 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 120.249 -1.532 . . . . 0.0 110.925 -168.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.65 64.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 120.938 1.699 . . . . 0.0 113.386 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.03 -39.44 12.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.36 1.864 . . . . 0.0 113.279 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.44 -31.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.661 1.985 . . . . 0.0 110.371 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.77 -53.45 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 O-C-N 120.213 -1.554 . . . . 0.0 111.383 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.42 -35.53 72.21 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.965 2.106 . . . . 0.0 113.106 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.38 -29.67 33.91 Favored 'General case' 0 C--O 1.205 -1.281 0 C-N-CA 124.879 1.271 . . . . 0.0 113.68 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.28 56.9 Favored Glycine 0 C--O 1.214 -1.097 0 C-N-CA 127.957 2.694 . . . . 0.0 111.438 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 29.35 24.47 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 126.181 1.848 . . . . 0.0 114.119 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--O 1.19 -2.036 0 C-N-CA 127.939 2.496 . . . . 0.0 114.531 -171.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . 1.168 ' HZ1' ' CE ' ' C' ' 47' ' ' LYS . 60.5 mttp -62.09 -17.26 57.08 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 126.235 1.814 . . . . 0.0 114.694 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -11.79 0.65 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.866 2.067 . . . . 0.0 114.219 167.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.79 -87.79 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.414 2.286 . . . . 0.0 110.672 -165.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.543 -1.348 . . . . 0.0 113.878 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.1 55.91 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 115.115 175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.48 -61.48 1.42 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.322 1.419 . . . . 0.0 110.345 156.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mm -65.72 -27.56 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.546 1.538 . . . . 0.0 112.204 -158.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -72.48 -40.01 67.27 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 121.214 -0.929 . . . . 0.0 112.61 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -39.87 80.55 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 123.735 0.647 . . . . 0.0 111.896 165.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . 0.404 ' HA ' ' HB ' ' C' ' 59' ' ' ILE 0.262 46.6 mt -79.1 -33.36 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-O 117.59 -1.195 . . . . 0.0 110.344 -166.237 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.82 -18.36 64.04 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 121.663 2.029 . . . . 0.0 114.217 171.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.37 -36.99 14.3 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 126.807 2.043 . . . . 0.0 113.152 171.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' C' ' 56' ' ' ILE . 22.0 mt -64.48 -35.38 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.748 2.019 . . . . 0.0 111.238 170.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 14.4 mt -57.32 -52.71 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.284 -2.135 . . . . 0.0 111.553 171.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -59.4 -38.14 79.8 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 125.654 1.582 . . . . 0.0 113.229 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.7 -35.72 60.21 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 113.778 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.84 -25.56 71.47 Favored Glycine 0 C--O 1.214 -1.101 0 C-N-CA 126.865 2.174 . . . . 0.0 113.976 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.49 41.94 35.0 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 118.592 1.196 . . . . 0.0 114.2 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.185 -2.329 0 C-N-CA 127.403 2.281 . . . . 0.0 113.264 175.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -57.95 -43.3 86.3 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 124.896 1.278 . . . . 0.0 112.148 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -8.99 29.43 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.49 2.716 . . . . 0.0 114.528 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.82 12.25 15.61 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -156.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 -58.13 2.1 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 153.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.36 79.63 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 118.606 -2.559 . . . . 0.0 114.67 -166.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.0 44.66 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 121.417 0.627 . . . . 0.0 112.154 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 43.6 mm -69.18 -38.76 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.588 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.27 -30.43 64.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.685 1.194 . . . . 0.0 112.16 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -62.11 2.13 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 125.615 1.822 . . . . 0.0 111.462 159.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 tt -67.81 -41.91 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.87 -167.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.31 -18.06 65.13 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 120.769 1.622 . . . . 0.0 114.18 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.86 -44.1 11.33 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.347 1.459 . . . . 0.0 111.981 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.71 -30.52 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 126.422 1.889 . . . . 0.0 110.418 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.22 -52.41 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 O-C-N 121.301 -0.874 . . . . 0.0 110.394 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -61.72 -45.81 92.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.0 66.91 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.95 -35.96 53.03 Favored Glycine 0 C--O 1.212 -1.224 0 C-N-CA 127.915 2.674 . . . . 0.0 112.097 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.21 5.73 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 124.971 1.272 . . . . 0.0 114.192 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.173 -2.921 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.302 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm . . . . . 0 C--O 1.203 -1.374 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.53 -8.51 6.45 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.904 2.081 . . . . 0.0 113.537 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.289 . . -63.8 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.531 -169.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.13 62.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 120.841 1.655 . . . . 0.0 114.232 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.5 53.86 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.977 ' HB3' ' CA ' ' A' ' 8' ' ' ALA . . . -101.82 -65.49 0.98 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.496 0.665 . . . . 0.0 111.541 156.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mm -59.45 -30.14 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 124.367 1.067 . . . . 0.0 113.724 -160.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -42.04 63.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 123.368 0.667 . . . . 0.0 111.932 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.13 83.42 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.727 0.811 . . . . 0.0 111.17 166.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.68 -40.75 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 119.716 1.143 . . . . 0.0 110.711 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.77 -19.81 66.03 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 120.804 1.638 . . . . 0.0 114.573 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.79 -41.3 19.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.385 1.074 . . . . 0.0 112.532 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mt -67.43 -26.81 36.72 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 C-N-CA 127.497 2.319 . . . . 0.0 110.748 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.72 -50.72 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 O-C-N 120.287 -1.508 . . . . 0.0 111.976 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -62.95 -48.1 80.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.936 1.295 . . . . 0.0 113.556 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.99 -36.14 62.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.471 1.109 . . . . 0.0 113.434 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.87 97.12 Favored Glycine 0 C--O 1.211 -1.297 0 C-N-CA 126.164 1.84 . . . . 0.0 112.298 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.07 43.39 3.82 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 125.522 1.534 . . . . 0.0 113.622 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--O 1.206 -1.221 0 C-N-CA 125.555 1.542 . . . . 0.0 114.956 -178.665 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.396 -3.155 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -67.62 -11.41 58.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.39 -18.6 0.41 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 161.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.39 -86.98 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.899 1.679 . . . . 0.0 111.434 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.11 8.17 0.81 Allowed 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 -48.13 6.49 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 118.883 -2.386 . . . . 0.0 113.103 164.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.69 -37.15 15.76 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.782 -1.199 . . . . 0.0 111.072 -175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mm -60.4 -42.38 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -56.08 -49.38 73.96 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 123.338 0.655 . . . . 0.0 112.517 172.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.32 -0.06 4.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 171.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.277 0.3 OUTLIER -106.83 -57.1 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 126.685 1.994 . . . . 0.0 112.98 164.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.14 72.16 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 123.395 2.816 . . . . 0.0 113.775 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.3 86.81 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.535 1.134 . . . . 0.0 111.89 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 -32.76 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 128.132 2.573 . . . . 0.0 110.249 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.56 -49.72 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 121.024 1.738 . . . . 0.0 110.163 170.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -72.67 -46.47 53.69 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.701 1.601 . . . . 0.0 112.28 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 -39.55 31.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 120.561 -1.337 . . . . 0.0 112.627 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 -43.7 92.75 Favored Glycine 0 C--O 1.197 -2.213 0 C-N-CA 125.08 1.324 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.84 51.53 2.82 Favored Glycine 0 C--O 1.208 -1.511 0 C-N-CA 125.905 1.717 . . . . 0.0 115.319 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 . . . . . 0 C--O 1.17 -3.126 0 O-C-N 120.31 -1.7 . . . . 0.0 114.554 176.28 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.58 -9.61 6.32 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.348 1.859 . . . . 0.0 115.771 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.44 -11.05 0.17 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.581 1.952 . . . . 0.0 114.873 158.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.72 -79.44 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.678 2.391 . . . . 0.0 111.718 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.9 11.3 1.45 Allowed 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 119.902 -1.749 . . . . 0.0 114.391 -170.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.85 -55.45 3.63 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.465 1.906 . . . . 0.0 111.626 158.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.41 18.32 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.009 0.923 . . . . 0.0 111.283 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 124.7 1.2 . . . . 0.0 111.959 171.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.94 -40.35 97.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.2 49.66 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.109 0.964 . . . . 0.0 112.467 163.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -41.42 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 118.748 -2.47 . . . . 0.0 112.02 -171.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.36 -21.8 66.24 Favored 'General case' 0 C--O 1.21 -1.012 0 O-C-N 119.942 -1.724 . . . . 0.0 113.0 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.55 -41.74 13.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.849 -1.157 . . . . 0.0 112.963 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 52.8 mt -62.35 -32.73 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.807 1.643 . . . . 0.0 111.459 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.78 -50.82 78.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 O-C-N 120.443 -1.41 . . . . 0.0 110.0 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.75 -40.29 83.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.063 1.745 . . . . 0.0 113.746 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.08 -38.11 61.38 Favored 'General case' 0 C--O 1.194 -1.821 0 C-N-CA 125.501 1.52 . . . . 0.0 114.015 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.28 90.96 Favored Glycine 0 C--O 1.211 -1.318 0 C-N-CA 127.797 2.617 . . . . 0.0 113.483 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.38 32.27 20.07 Favored Glycine 0 C--O 1.2 -2.03 0 C-N-CA 125.557 1.551 . . . . 0.0 113.597 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.176 -2.783 0 C-N-CA 130.197 3.399 . . . . 0.0 115.074 -170.029 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' D' ' 71' ' ' ALA . 56.4 mtpt -60.2 -8.66 2.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -1.85 0.17 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.717 1.607 . . . . 0.0 114.657 165.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -75.29 1.67 13.07 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -167.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.36 -34.25 5.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 120.268 -1.52 . . . . 0.0 111.041 154.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -11.14 30.74 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.638 1.975 . . . . 0.0 115.854 -175.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.53 -54.87 2.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 119.672 1.124 . . . . 0.0 112.542 152.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.35 -33.05 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 125.316 1.447 . . . . 0.0 113.832 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -73.33 -35.95 66.11 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 112.06 -173.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.82 73.41 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.548 0.69 . . . . 0.0 111.798 161.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.86 -38.47 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 O-C-N 119.705 -1.872 . . . . 0.0 112.35 -166.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.96 62.28 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 120.267 -1.521 . . . . 0.0 114.603 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.64 -38.92 11.09 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.935 2.094 . . . . 0.0 110.829 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.48 -36.69 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.703 2.401 . . . . 0.0 110.03 172.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt -59.75 -51.9 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 124.288 1.035 . . . . 0.0 112.045 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -55.86 -41.76 74.84 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.901 1.281 . . . . 0.0 112.767 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.58 -31.8 60.11 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.545 1.938 . . . . 0.0 113.102 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.18 45.55 Favored Glycine 0 C--O 1.191 -2.542 0 C-N-CA 128.814 3.102 . . . . 0.0 111.78 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 14.65 31.78 Favored Glycine 0 N--CA 1.421 -2.307 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 1 C--O 1.138 -4.776 0 C-N-CA 125.28 1.432 . . . . 0.0 111.741 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 N--CA 1.44 -0.975 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.85 24.67 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.988 2.515 . . . . 0.0 113.709 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.286 . . -65.59 -82.34 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.923 1.689 . . . . 0.0 112.043 -165.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.13 -14.05 21.79 Favored 'General case' 1 C--O 1.133 -5.052 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -20.9 61.03 Favored 'General case' 1 C--O 1.152 -4.07 0 O-C-N 118.327 -2.733 . . . . 0.0 113.295 169.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.3 -49.98 2.93 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 122.637 2.471 . . . . 0.0 112.015 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -65.79 -34.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 C-N-CA 125.098 1.359 . . . . 0.0 112.537 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -71.68 -35.14 70.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.832 0.742 . . . . 0.0 110.694 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -55.15 31.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.579 1.552 . . . . 0.0 111.508 161.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.21 -40.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 120.787 -1.195 . . . . 0.0 110.718 -165.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.25 64.8 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.81 -40.76 12.93 Favored 'General case' 0 C--O 1.203 -1.359 0 C-N-CA 124.402 1.081 . . . . 0.0 112.757 168.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.16 -30.53 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 C-N-CA 127.285 2.234 . . . . 0.0 112.486 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.91 -46.6 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.091 -2.256 . . . . 0.0 111.599 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -73.78 -41.68 62.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.853 1.661 . . . . 0.0 112.99 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.33 -43.43 12.89 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.32 99.17 Favored Glycine 0 C--O 1.205 -1.709 0 C-N-CA 128.033 2.73 . . . . 0.0 110.361 166.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.1 53.33 2.54 Favored Glycine 0 C--O 1.187 -2.838 0 C-N-CA 126.818 2.152 . . . . 0.0 114.622 167.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--O 1.191 -1.985 0 CA-C-N 118.809 1.305 . . . . 0.0 111.87 166.112 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.893 0 N-CA-C 116.871 2.175 . . . . 0.0 116.871 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 1.225 ' HZ1' ' CE ' ' B' ' 25' ' ' LYS . 35.7 mtmm -65.0 -20.26 66.41 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 121.825 2.102 . . . . 0.0 112.94 173.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.34 -9.78 1.73 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -68.95 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.313 1.445 . . . . 0.0 112.924 -170.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.21 23.06 0.09 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.955 1.302 . . . . 0.0 113.622 -170.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.43 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -113.59 -22.24 10.39 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 131.752 4.021 . . . . 0.0 112.776 169.049 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.55 -55.57 2.41 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 125.203 1.401 . . . . 0.0 110.439 171.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -48.41 -36.59 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 128.142 2.577 . . . . 0.0 111.181 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.59 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 17.8 ptmt -50.96 -61.49 2.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.59 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -67.71 11.53 0.13 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 130.443 3.497 . . . . 0.0 114.11 170.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.69 -53.3 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 116.851 -1.547 . . . . 0.0 109.776 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.58 68.47 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 123.597 2.908 . . . . 0.0 115.221 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.82 68.96 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 125.2 1.4 . . . . 0.0 112.106 169.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.65 -35.12 59.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 128.056 2.542 . . . . 0.0 111.288 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.37 -54.12 24.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 120.493 -1.379 . . . . 0.0 111.765 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -57.86 -42.73 85.13 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 124.177 0.991 . . . . 0.0 113.652 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.7 -35.27 62.73 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.72 63.17 Favored Glycine 0 C--O 1.198 -2.148 0 C-N-CA 128.59 2.995 . . . . 0.0 114.37 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.27 39.09 9.36 Favored Glycine 0 C--O 1.198 -2.134 0 CA-C-N 119.585 1.693 . . . . 0.0 115.047 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.181 -2.503 0 C-N-CA 126.328 1.851 . . . . 0.0 115.56 175.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.23 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.73 -29.19 64.55 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 120.76 1.618 . . . . 0.0 112.796 163.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.96 -5.46 9.5 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.917 2.087 . . . . 0.0 114.432 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . 0.299 . . -64.6 -87.86 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.115 1.766 . . . . 0.0 112.686 -164.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.91 -22.53 65.66 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.99 -4.33 16.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 115.413 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.21 -57.59 1.76 Allowed 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.866 0.866 . . . . 0.0 111.222 162.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.56 -26.21 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 112.461 -167.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -37.01 57.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.243 -1.535 . . . . 0.0 111.696 -174.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.43 78.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 162.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -69.31 -37.96 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 118.175 -0.916 . . . . 0.0 108.674 -170.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.73 63.64 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 121.245 1.839 . . . . 0.0 115.661 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.27 -40.77 10.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 111.07 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.2 -34.37 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 C-N-CA 128.563 2.745 . . . . 0.0 108.908 168.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -51.2 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 120.148 1.34 . . . . 0.0 111.504 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -59.12 -38.47 79.67 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 126.907 2.083 . . . . 0.0 112.253 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.08 70.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 125.942 1.697 . . . . 0.0 113.432 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.55 -24.94 73.95 Favored Glycine 0 C--O 1.205 -1.676 0 C-N-CA 128.542 2.972 . . . . 0.0 115.02 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 18.34 71.69 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 116.658 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.179 -2.608 0 C-N-CA 127.714 2.406 . . . . 0.0 115.972 177.48 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.675 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.92 -42.08 27.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.675 1.59 . . . . 0.0 113.833 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . 0.968 ' HB3' ' CA ' ' D' ' 70' ' ' ALA . . . -44.71 -37.24 3.59 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 127.16 2.184 . . . . 0.0 111.295 162.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.43 5.51 17.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.317 1.847 . . . . 0.0 113.724 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.58 -52.65 2.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 119.365 -2.084 . . . . 0.0 112.668 147.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.47 56.45 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 127.816 2.446 . . . . 0.0 115.073 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.31 -45.21 10.22 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-O 123.018 1.39 . . . . 0.0 111.636 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 37.6 mm -55.46 -45.22 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 C-N-CA 124.96 1.304 . . . . 0.0 113.88 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -62.89 -37.61 87.6 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.527 1.531 . . . . 0.0 113.905 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.25 27.42 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.806 0.691 . . . . 0.0 110.139 163.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -42.9 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 119.831 -1.793 . . . . 0.0 112.727 -167.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -14.1 62.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.7 -38.63 11.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.571 1.549 . . . . 0.0 112.17 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.2 -32.51 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 126.419 1.888 . . . . 0.0 109.818 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -57.71 -50.16 78.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 120.526 1.512 . . . . 0.0 111.9 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -67.15 -34.58 77.88 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.246 2.218 . . . . 0.0 114.535 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.68 -41.55 26.61 Favored 'General case' 0 C--O 1.195 -1.804 0 C-N-CA 125.94 1.696 . . . . 0.0 113.773 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.78 -34.18 88.03 Favored Glycine 0 C--O 1.21 -1.35 0 C-N-CA 127.166 2.317 . . . . 0.0 113.958 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.63 39.84 39.84 Favored Glycine 0 C--O 1.203 -1.788 0 C-N-CA 127.104 2.287 . . . . 0.0 113.052 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.193 -1.91 0 C-N-CA 128.415 2.686 . . . . 0.0 115.761 -175.001 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--O 1.206 -1.21 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -18.3 6.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 124.775 1.23 . . . . 0.0 113.472 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.89 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 124.703 1.201 . . . . 0.0 111.153 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.98 9.68 0.37 Allowed 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.182 -1.574 . . . . 0.0 114.85 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.76 -58.0 2.98 Favored 'General case' 0 C--O 1.207 -1.136 0 O-C-N 120.631 -1.293 . . . . 0.0 112.204 156.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 -41.74 14.2 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.341 -2.1 . . . . 0.0 110.772 -168.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.025 HD13 ' CG1' ' A' ' 9' ' ' ILE . 44.6 mm -55.52 -44.16 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.408 1.483 . . . . 0.0 111.951 170.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.86 -40.51 95.6 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.39 78.22 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 111.698 166.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.292 0.4 OUTLIER -64.09 -44.04 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 O-C-N 119.647 -1.908 . . . . 0.0 110.239 -174.031 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.09 -20.33 65.87 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.236 -2.165 . . . . 0.0 114.034 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.53 -40.74 17.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 124.649 1.18 . . . . 0.0 113.01 170.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.25 -32.62 59.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 125.44 1.496 . . . . 0.0 112.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.1 mt -60.27 -54.76 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.766 1.626 . . . . 0.0 111.989 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -54.59 -39.72 68.13 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 127.361 2.264 . . . . 0.0 113.243 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.13 -25.01 32.33 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.04 -25.43 52.27 Favored Glycine 0 C--O 1.196 -2.223 0 C-N-CA 129.116 3.246 . . . . 0.0 116.305 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.04 53.42 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 118.745 1.272 . . . . 0.0 114.434 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.181 -2.511 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 177.402 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.524 0 N-CA-C 118.669 2.841 . . . . 0.0 118.669 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 1.133 ' HZ1' ' CE ' ' B' ' 25' ' ' LYS . 33.2 mttt -70.46 -12.05 61.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 121.301 1.864 . . . . 0.0 114.691 173.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.59 -4.99 0.48 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 127.753 2.421 . . . . 0.0 113.683 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -84.45 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.87 2.468 . . . . 0.0 113.696 -172.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.98 13.31 0.89 Allowed 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.838 -1.164 . . . . 0.0 112.083 -174.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.85 -1.74 33.95 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 119.446 -2.034 . . . . 0.0 113.966 164.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.4 -43.06 1.04 Allowed 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 164.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -31.15 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 120.709 -1.244 . . . . 0.0 111.391 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -71.09 -38.7 72.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.911 1.232 . . . . 0.0 111.817 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.85 79.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 123.127 0.571 . . . . 0.0 111.712 165.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -45.2 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 117.69 -1.148 . . . . 0.0 111.072 -172.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . 0.251 . . -69.91 -1.75 10.44 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 121.33 1.877 . . . . 0.0 114.905 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.38 -41.14 7.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 127.367 2.267 . . . . 0.0 112.627 165.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.6 -26.46 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 126.728 2.011 . . . . 0.0 112.107 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.44 ' HA ' ' CD1' ' B' ' 43' ' ' TYR . 4.6 mm -53.26 -64.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 126.314 1.846 . . . . 0.0 110.062 165.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . 1.139 ' HZ1' ' CE ' ' B' ' 39' ' ' LYS . 56.9 mttp -60.41 -42.31 95.69 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 126.918 2.087 . . . . 0.0 113.53 -177.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.51 -32.33 25.97 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.689 1.596 . . . . 0.0 113.066 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -30.16 76.48 Favored Glycine 0 C--O 1.202 -1.879 0 C-N-CA 127.345 2.402 . . . . 0.0 112.729 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.08 47.75 22.79 Favored Glycine 0 C--O 1.202 -1.883 0 CA-C-N 119.502 1.651 . . . . 0.0 112.227 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 2.0 m-85 . . . . . 1 C--O 1.148 -4.247 0 C-N-CA 127.15 2.18 . . . . 0.0 116.727 -174.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.53 -12.5 6.54 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.884 1.673 . . . . 0.0 114.89 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.89 -9.13 0.21 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.688 1.595 . . . . 0.0 115.128 162.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.03 -87.35 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.428 3.091 . . . . 0.0 112.478 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.12 68.47 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.32 -13.27 17.99 Favored 'General case' 0 C--O 1.19 -2.069 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.19 -61.14 1.67 Allowed 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 126.163 1.785 . . . . 0.0 110.574 157.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 35.4 mm -60.8 -27.62 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 114.183 -163.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.03 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.368 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.13 94.82 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.879 0.872 . . . . 0.0 111.968 162.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -77.87 -37.09 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.37 -164.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -22.12 66.78 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 121.146 1.794 . . . . 0.0 113.057 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.39 -40.2 18.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.307 1.843 . . . . 0.0 112.607 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.41 -32.16 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 125.291 1.437 . . . . 0.0 111.992 171.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.23 -51.09 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.971 1.308 . . . . 0.0 111.198 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.89 -40.81 73.52 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 125.666 1.586 . . . . 0.0 112.274 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.26 63.25 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 124.566 1.147 . . . . 0.0 112.73 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.13 72.14 Favored Glycine 0 C--O 1.17 -3.894 0 C-N-CA 128.984 3.183 . . . . 0.0 116.503 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.54 22.63 69.53 Favored Glycine 0 C--N 1.301 -1.368 0 CA-C-N 121.668 2.734 . . . . 0.0 116.238 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--O 1.201 -1.45 0 C-N-CA 128.082 2.553 . . . . 0.0 115.627 176.314 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.549 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' D' ' 71' ' ' ALA . 32.9 mmmt -67.4 -23.86 65.61 Favored 'General case' 0 N--CA 1.44 -0.975 0 O-C-N 118.769 -2.457 . . . . 0.0 112.461 173.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -3.84 0.16 Allowed 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -84.45 9.92 12.14 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -163.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.1 -51.94 2.8 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 118.061 0.392 . . . . 0.0 111.223 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.19 94.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.326 1.451 . . . . 0.0 114.771 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.44 -41.22 56.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.68 0.752 . . . . 0.0 110.668 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.59 -39.97 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 124.894 1.278 . . . . 0.0 111.997 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -63.18 -39.45 94.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.402 1.881 . . . . 0.0 112.736 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.93 0.892 . . . . 0.0 110.285 163.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -43.43 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 O-C-N 120.668 -1.27 . . . . 0.0 112.747 -167.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.38 68.0 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 121.619 2.009 . . . . 0.0 113.761 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.57 30.79 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 120.364 -1.46 . . . . 0.0 112.55 171.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.93 -36.29 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 127.09 2.156 . . . . 0.0 111.088 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mt -52.5 -50.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 120.891 -1.131 . . . . 0.0 111.347 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -70.3 -40.89 73.96 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 113.46 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.65 59.45 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.407 1.483 . . . . 0.0 112.215 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.54 64.81 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 128.527 2.965 . . . . 0.0 113.83 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.84 43.28 10.14 Favored Glycine 0 C--O 1.193 -2.435 0 C-N-CA 125.153 1.358 . . . . 0.0 114.101 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.179 -2.607 0 C-N-CA 126.067 1.747 . . . . 0.0 115.034 -175.061 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -5.23 0.21 Allowed 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 120.439 -1.413 . . . . 0.0 114.588 159.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.35 -84.12 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.154 2.181 . . . . 0.0 112.573 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.55 68.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.48 1.037 . . . . 0.0 113.767 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.11 65.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 120.416 -1.428 . . . . 0.0 114.531 173.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.3 -63.16 1.2 Allowed 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.789 0.835 . . . . 0.0 112.178 165.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.36 -30.44 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.979 2.512 . . . . 0.0 113.758 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.27 -37.55 60.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.85 80.75 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 160.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.73 -37.36 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 120.771 -1.206 . . . . 0.0 111.587 -167.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.92 63.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 172.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.44 -30.64 12.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.178 1.391 . . . . 0.0 111.795 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.35 -36.94 78.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 C-N-CA 128.188 2.595 . . . . 0.0 109.251 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mt -55.14 -53.92 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 120.041 1.292 . . . . 0.0 111.913 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -58.95 -35.97 74.03 Favored 'General case' 0 C--O 1.18 -2.556 0 C-N-CA 127.555 2.342 . . . . 0.0 113.768 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.1 40.48 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 125.645 1.578 . . . . 0.0 114.957 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.98 75.59 Favored Glycine 0 C--O 1.183 -3.091 0 C-N-CA 128.445 2.926 . . . . 0.0 112.722 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.14 25.79 36.01 Favored Glycine 0 C--O 1.196 -2.25 0 CA-C-N 119.684 1.742 . . . . 0.0 117.402 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--O 1.166 -3.32 0 C-N-CA 127.19 2.196 . . . . 0.0 115.111 -178.604 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.719 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' B' ' 27' ' ' ALA . 55.8 mtmt -65.39 -22.05 66.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.274 1.43 . . . . 0.0 113.666 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.77 -8.64 0.98 Allowed 'General case' 0 N--CA 1.427 -1.578 0 C-N-CA 125.201 1.401 . . . . 0.0 113.66 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' B' ' 25' ' ' LYS . . . -62.85 -85.16 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.656 1.982 . . . . 0.0 111.475 -172.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.07 10.91 1.03 Allowed 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -169.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.15 -59.42 2.26 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 127.498 2.319 . . . . 0.0 110.723 162.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.92 -35.32 24.15 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 111.216 -170.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.06 -39.18 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 124.397 1.079 . . . . 0.0 110.829 173.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -61.01 -45.43 94.84 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 120.937 -1.102 . . . . 0.0 112.068 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.45 13.39 0.09 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.914 2.085 . . . . 0.0 116.206 167.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mm -122.03 -60.22 2.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 129.016 2.926 . . . . 0.0 108.99 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.14 67.68 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 118.323 -2.736 . . . . 0.0 115.147 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 -36.62 19.98 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 125.317 1.447 . . . . 0.0 113.669 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.36 -36.18 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 127.301 2.241 . . . . 0.0 111.602 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.37 -49.01 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 120.425 -1.422 . . . . 0.0 110.743 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -53.41 -44.59 68.86 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.089 0.955 . . . . 0.0 112.124 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.63 -31.04 29.02 Favored 'General case' 0 C--O 1.201 -1.5 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.78 -35.5 58.58 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.292 2.853 . . . . 0.0 113.771 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.65 41.13 57.68 Favored Glycine 0 N--CA 1.437 -1.235 0 C-N-CA 123.68 0.657 . . . . 0.0 112.761 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.173 -2.932 0 C-N-CA 126.981 2.113 . . . . 0.0 115.732 -173.319 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.37 -60.26 0.22 Allowed 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.67 66.02 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 125.08 1.352 . . . . 0.0 110.696 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -83.82 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.249 1.42 . . . . 0.0 111.38 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.43 6.52 1.02 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.4 -55.14 3.78 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 127.849 2.46 . . . . 0.0 110.598 164.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.5 -35.94 24.48 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 120.824 -1.172 . . . . 0.0 112.472 -171.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.2 -37.46 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 123.795 0.838 . . . . 0.0 112.504 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -65.08 -38.08 89.6 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 125.517 1.527 . . . . 0.0 110.765 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.748 0.819 . . . . 0.0 111.265 165.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.4 -42.41 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 O-C-N 120.713 -1.242 . . . . 0.0 111.978 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.42 67.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.381 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.34 -45.54 14.77 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.737 2.015 . . . . 0.0 112.873 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.54 -34.15 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 125.913 1.685 . . . . 0.0 112.096 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -51.17 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 124.414 1.086 . . . . 0.0 111.291 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.07 -45.2 95.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.283 1.833 . . . . 0.0 113.795 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.34 77.89 Favored 'General case' 0 C--O 1.211 -0.971 0 C-N-CA 123.665 0.786 . . . . 0.0 112.772 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.45 -32.82 59.35 Favored Glycine 0 C--O 1.205 -1.702 0 C-N-CA 127.332 2.396 . . . . 0.0 112.79 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.36 25.28 26.51 Favored Glycine 0 C--O 1.22 -0.78 0 O-C-N 119.4 -2.236 . . . . 0.0 115.115 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.174 -2.875 0 C-N-CA 125.79 1.636 . . . . 0.0 114.824 179.731 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.392 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -108.19 -24.71 11.41 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 127.305 2.242 . . . . 0.0 114.035 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.72 -34.98 1.01 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 126.231 1.812 . . . . 0.0 111.334 164.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.12 -1.41 40.08 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.59 -55.65 2.36 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 120.297 -1.502 . . . . 0.0 112.111 150.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.28 -37.75 62.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 128.09 2.556 . . . . 0.0 114.705 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -45.83 17.46 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.26 1.028 . . . . 0.0 109.909 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.7 -39.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.844 1.658 . . . . 0.0 112.339 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.11 -36.43 72.16 Favored 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 126.466 1.906 . . . . 0.0 113.248 -173.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.23 53.83 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 124.038 0.935 . . . . 0.0 111.426 160.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.96 -41.12 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 121.439 -0.788 . . . . 0.0 112.159 -165.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.19 69.05 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 119.712 -1.868 . . . . 0.0 114.415 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.91 34.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 120.877 -1.139 . . . . 0.0 112.022 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.69 -36.5 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.162 2.585 . . . . 0.0 110.978 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -55.24 -53.39 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.533 1.533 . . . . 0.0 110.973 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -61.85 -40.85 96.79 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 127.05 2.14 . . . . 0.0 112.271 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.55 -36.54 32.91 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 123.634 0.774 . . . . 0.0 111.212 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.33 -39.4 97.18 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 127.963 2.697 . . . . 0.0 114.535 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.24 9.23 Favored Glycine 0 C--O 1.202 -1.901 0 CA-C-O 118.774 -1.015 . . . . 0.0 115.382 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--O 1.177 -2.758 0 CA-C-O 122.876 1.322 . . . . 0.0 110.916 170.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.429 -1.511 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.27 -12.75 22.36 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.615 2.766 . . . . 0.0 114.512 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.341 . . -66.11 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -161.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.97 -27.78 54.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.06 -17.12 63.08 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.55 -64.85 1.1 Allowed 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.6 -1.312 . . . . 0.0 111.093 154.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.9 mm -59.21 -31.96 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 124.474 1.11 . . . . 0.0 113.597 -162.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -73.98 -36.82 64.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 120.298 1.408 . . . . 0.0 113.439 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -43.86 67.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.304 0.642 . . . . 0.0 111.088 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.2 mm -72.82 -38.95 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 O-C-N 119.559 -1.963 . . . . 0.0 110.86 -167.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.28 66.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.88 -42.34 13.29 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 111.918 173.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.9 mt -58.12 -39.66 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.587 1.955 . . . . 0.0 110.882 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.6 -52.51 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.041 1.336 . . . . 0.0 113.033 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.5 -36.54 78.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.716 0.806 . . . . 0.0 112.109 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -24.96 43.45 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 171.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.98 -34.01 59.16 Favored Glycine 0 C--O 1.207 -1.558 0 C-N-CA 128.014 2.721 . . . . 0.0 113.38 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.57 13.74 62.65 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 118.597 1.199 . . . . 0.0 115.444 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 . . . . . 0 C--O 1.203 -1.393 0 C-N-CA 126.513 1.925 . . . . 0.0 113.22 -178.322 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.037 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.54 -8.88 10.75 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.014 -1.679 . . . . 0.0 114.944 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.03 -4.7 0.35 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 161.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.88 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.09 0.79 4.2 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -165.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.95 -52.11 5.65 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 118.35 -2.719 . . . . 0.0 112.225 164.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.07 -39.02 21.73 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.96 -37.37 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 127.339 2.256 . . . . 0.0 110.984 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -63.82 -45.65 88.64 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.884 0.874 . . . . 0.0 111.118 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 5.01 1.02 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.873 2.069 . . . . 0.0 115.889 165.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.03 -56.23 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 125.728 1.611 . . . . 0.0 112.238 167.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.58 -26.68 68.72 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 121.943 2.156 . . . . 0.0 113.559 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.67 -40.77 63.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.163 1.385 . . . . 0.0 114.173 168.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.6 -33.0 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.986 2.114 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.11 -52.75 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 O-C-N 120.09 -1.631 . . . . 0.0 110.617 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -65.03 -42.23 94.52 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.222 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.29 -36.19 54.44 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 125.933 1.693 . . . . 0.0 113.823 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.6 -33.96 33.02 Favored Glycine 0 N--CA 1.434 -1.468 0 C-N-CA 127.111 2.291 . . . . 0.0 111.309 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.77 50.32 6.55 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 119.422 1.611 . . . . 0.0 116.015 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 C--O 1.184 -2.36 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -179.16 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.363 -4.818 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.23 -12.96 6.16 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.888 1.675 . . . . 0.0 114.429 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -1.48 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 162.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.96 -93.54 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.068 2.947 . . . . 0.0 111.721 -171.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.06 52.24 Favored 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.23 -61.61 1.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 120.85 -1.156 . . . . 0.0 109.506 165.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.49 -30.83 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.405 1.482 . . . . 0.0 113.215 -165.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -36.37 69.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.425 -1.422 . . . . 0.0 110.884 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.98 82.08 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.389 1.076 . . . . 0.0 113.567 162.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . 0.401 ' HA ' ' HB ' ' C' ' 59' ' ' ILE . 8.9 mm -72.63 -34.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.098 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.79 66.21 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 121.72 2.054 . . . . 0.0 114.281 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 -36.38 17.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.358 1.463 . . . . 0.0 113.547 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' C' ' 56' ' ' ILE . 36.6 mt -62.85 -33.81 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.592 1.957 . . . . 0.0 111.169 169.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.25 -46.02 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 O-C-N 120.113 -1.617 . . . . 0.0 112.574 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -60.23 -39.59 87.25 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.499 1.92 . . . . 0.0 114.169 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.01 -42.56 57.2 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 112.628 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.52 -34.67 76.74 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 126.663 2.078 . . . . 0.0 115.807 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.56 32.97 17.64 Favored Glycine 0 C--O 1.215 -1.085 0 C-N-CA 125.144 1.355 . . . . 0.0 114.923 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.175 -2.84 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -173.054 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.713 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.86 -36.18 50.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.932 0.893 . . . . 0.0 112.503 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.04 -35.41 4.82 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.2 1.8 . . . . 0.0 112.454 166.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.64 3.46 32.76 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.149 1.78 . . . . 0.0 114.468 -171.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.24 -56.41 2.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 O-C-N 120.77 -1.206 . . . . 0.0 111.476 152.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.18 72.76 Favored 'General case' 0 C--O 1.196 -1.723 0 C-N-CA 126.301 1.84 . . . . 0.0 113.392 -168.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -39.68 21.55 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 119.762 1.164 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.7 mm -62.08 -43.7 98.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 124.121 0.968 . . . . 0.0 111.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -66.33 -37.27 84.96 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.496 1.119 . . . . 0.0 112.604 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.93 -60.15 4.0 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 123.85 0.719 . . . . 0.0 111.397 161.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.256 0.4 OUTLIER -68.49 -41.75 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 O-C-N 118.875 -2.391 . . . . 0.0 111.74 -166.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.43 65.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 120.96 1.709 . . . . 0.0 114.035 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.99 -45.5 15.25 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 126.073 1.749 . . . . 0.0 112.459 169.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.12 -26.69 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 126.27 1.828 . . . . 0.0 111.698 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 mt -61.04 -50.12 81.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 120.149 -1.595 . . . . 0.0 111.703 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -69.99 -42.01 73.64 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.289 1.035 . . . . 0.0 113.008 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.13 -36.91 69.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 123.19 1.472 . . . . 0.0 114.048 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.45 65.74 Favored Glycine 0 C--O 1.204 -1.739 0 C-N-CA 129.171 3.272 . . . . 0.0 111.003 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.58 50.81 7.74 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 115.472 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.433 -1.318 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -178.385 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.29 -28.57 12.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.053 1.741 . . . . 0.0 113.384 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.07 8.69 25.51 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -160.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.15 -58.26 2.18 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 124.576 1.15 . . . . 0.0 111.238 149.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.72 -43.46 47.72 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 127.507 2.323 . . . . 0.0 113.163 -171.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.13 -40.71 19.43 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 121.33 -0.856 . . . . 0.0 112.394 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -59.22 -42.35 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 123.872 0.869 . . . . 0.0 112.163 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.83 -55.02 40.56 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.875 2.07 . . . . 0.0 109.348 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 11.73 0.14 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 170.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.16 -64.56 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 127.644 2.378 . . . . 0.0 109.755 161.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -27.24 69.0 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 123.533 2.879 . . . . 0.0 113.027 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.31 57.18 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.122 0.969 . . . . 0.0 111.876 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.66 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 127.157 2.183 . . . . 0.0 112.793 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.61 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 123.959 0.904 . . . . 0.0 109.3 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -47.79 82.85 Favored 'General case' 0 C--O 1.208 -1.117 0 C-N-CA 125.539 1.535 . . . . 0.0 112.5 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.99 17.0 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 124.039 0.936 . . . . 0.0 112.212 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.1 -33.35 83.1 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 127.703 2.573 . . . . 0.0 113.841 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 55.23 7.85 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.242 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.183 -2.405 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.403 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.499 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' B' ' 27' ' ' ALA . 62.9 mttt -65.81 -6.2 11.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 120.042 -1.661 . . . . 0.0 114.861 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 0.98 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 158.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' B' ' 25' ' ' LYS . . . -72.56 -81.29 0.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.463 1.505 . . . . 0.0 114.239 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.07 9.18 2.09 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 -162.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -52.93 5.7 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.001 1.72 . . . . 0.0 109.083 158.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -49.73 10.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.857 1.263 . . . . 0.0 109.826 -166.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mm -59.2 -36.92 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 128.322 2.649 . . . . 0.0 111.755 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -61.81 -51.43 68.3 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.954 0.901 . . . . 0.0 110.372 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 17.27 0.09 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.471 1.908 . . . . 0.0 115.149 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 mm -127.15 -51.41 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 C-N-CA 126.432 1.893 . . . . 0.0 112.308 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -27.04 68.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 122.153 2.251 . . . . 0.0 115.537 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.21 -44.94 51.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.359 1.463 . . . . 0.0 112.321 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.41 -34.63 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 127.507 2.323 . . . . 0.0 112.859 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.28 -49.94 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 125.291 1.437 . . . . 0.0 111.054 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.03 -40.37 75.23 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.351 2.26 . . . . 0.0 113.004 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.13 -30.16 60.72 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 126.085 1.754 . . . . 0.0 113.834 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.04 -25.02 58.62 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 127.587 2.518 . . . . 0.0 113.796 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.05 38.46 11.24 Favored Glycine 0 C--O 1.195 -2.3 0 C-N-CA 124.755 1.169 . . . . 0.0 115.92 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . 1.119 ' O ' ' CA ' ' B' ' 43' ' ' TYR . 11.0 m-85 . . . . . 1 C--O 0.645 -30.745 1 CA-C-O 134.435 6.826 . . . . 0.0 114.998 171.738 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.149 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 49' ' ' ALA . 66.3 mmtt -66.53 -16.96 64.54 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 119.736 -1.852 . . . . 0.0 113.92 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.72 -4.61 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 126.748 2.019 . . . . 0.0 114.664 167.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -59.89 -93.18 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.559 2.344 . . . . 0.0 112.059 -169.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.91 63.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 121.274 1.852 . . . . 0.0 114.791 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.96 -24.34 62.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 119.778 -1.826 . . . . 0.0 114.492 172.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.85 -62.06 1.3 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.696 1.236 . . . . 0.0 110.767 162.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.06 -25.68 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 124.799 1.24 . . . . 0.0 112.215 -161.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -36.19 54.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 119.761 1.164 . . . . 0.0 110.86 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.75 73.33 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 161.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -67.11 -39.41 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 O-C-N 120.182 -1.574 . . . . 0.0 110.738 -171.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.14 -21.94 66.85 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.65 -37.02 17.12 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.08 -35.94 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 126.182 1.793 . . . . 0.0 110.578 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.69 -54.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 O-C-N 120.336 -1.477 . . . . 0.0 112.822 170.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -40.3 71.97 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 125.106 1.362 . . . . 0.0 111.846 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.73 -22.4 40.3 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 125.299 1.439 . . . . 0.0 112.713 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.32 -29.97 69.72 Favored Glycine 0 C--O 1.174 -3.642 0 C-N-CA 128.073 2.749 . . . . 0.0 114.258 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.84 16.31 58.31 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 119.652 1.726 . . . . 0.0 115.783 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.434 -1.263 0 C-N-CA 126.969 2.108 . . . . 0.0 115.418 177.457 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.172 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' D' ' 71' ' ' ALA . 8.2 mttp -69.49 -15.97 63.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.322 -1.486 . . . . 0.0 113.315 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.51 -0.99 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 129.546 3.138 . . . . 0.0 115.235 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -85.11 14.11 5.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.824 2.449 . . . . 0.0 115.597 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.06 -58.25 2.05 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 119.551 -1.968 . . . . 0.0 110.233 151.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.63 51.9 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 128.737 2.815 . . . . 0.0 114.857 -169.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.79 25.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.423 0.63 . . . . 0.0 111.983 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 46.1 mm -71.19 -39.82 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 125.083 1.353 . . . . 0.0 111.18 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -66.11 -36.61 83.63 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 126.504 1.922 . . . . 0.0 114.078 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -64.04 0.96 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.593 0.757 . . . . 0.0 112.701 157.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.32 -43.13 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.165 -165.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.83 65.4 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.05 -37.43 17.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.037 1.335 . . . . 0.0 110.455 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.12 -34.17 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 128.559 2.744 . . . . 0.0 110.469 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.04 -54.65 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 119.643 1.11 . . . . 0.0 112.108 169.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . 1.183 ' HZ2' ' CE ' ' D' ' 83' ' ' LYS . 57.9 mttm -58.72 -41.45 86.4 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.102 1.361 . . . . 0.0 114.212 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.82 56.78 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.26 -19.38 72.1 Favored Glycine 0 C--O 1.216 -1.026 0 C-N-CA 128.218 2.818 . . . . 0.0 113.829 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.41 52.13 54.51 Favored Glycine 0 C--O 1.21 -1.389 0 CA-C-N 118.903 1.352 . . . . 0.0 113.678 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.183 -2.395 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -171.378 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.44 -0.96 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.99 -7.48 0.48 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.463 2.305 . . . . 0.0 114.473 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 7' ' ' ALA 0.264 . . -54.32 -89.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.239 2.616 . . . . 0.0 113.829 -177.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 36.29 0.39 Allowed 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.086 -1.634 . . . . 0.0 112.761 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 5' ' ' ALA . . . -116.3 -39.03 3.45 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 131.523 3.929 . . . . 0.0 111.185 168.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.03 -45.36 5.43 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 125.763 1.625 . . . . 0.0 110.993 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -60.62 -33.23 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 124.646 1.178 . . . . 0.0 111.088 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG3' ' H ' ' A' ' 11' ' ' ALA . 25.5 pttt -57.18 -56.69 18.48 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.849 0.749 . . . . 0.0 112.027 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 10' ' ' LYS . . . -52.24 -48.08 65.38 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.722 -2.035 . . . . 0.0 111.511 170.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -42.38 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.152 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -18.84 65.57 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 121.408 1.913 . . . . 0.0 113.986 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.16 -43.5 14.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.847 1.259 . . . . 0.0 112.446 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.09 -28.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 126.939 2.096 . . . . 0.0 109.259 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.78 -52.32 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 120.787 1.63 . . . . 0.0 110.819 170.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -65.29 -43.58 90.69 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.763 1.625 . . . . 0.0 113.514 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.21 -31.68 23.06 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 124.304 1.042 . . . . 0.0 112.827 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.06 -47.95 50.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 128.613 3.006 . . . . 0.0 110.983 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.59 36.09 3.62 Favored Glycine 0 C--O 1.203 -1.782 0 C-N-CA 126.396 1.951 . . . . 0.0 115.7 173.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--O 1.198 -1.629 0 CA-C-N 119.939 1.87 . . . . 0.0 111.62 175.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.124 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 1.17 ' HZ2' ' CE ' ' B' ' 25' ' ' LYS . 36.1 mtmt -61.9 -11.17 11.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -17.25 0.1 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.379 1.872 . . . . 0.0 114.18 160.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -63.32 -89.96 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 128.244 2.617 . . . . 0.0 113.783 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.14 35.41 0.38 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 121.469 0.652 . . . . 0.0 111.727 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -110.1 -35.03 6.22 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 127.995 2.518 . . . . 0.0 112.231 160.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.73 -54.9 3.07 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.752 1.263 . . . . 0.0 112.087 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.79 -34.0 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 126.747 2.019 . . . . 0.0 112.871 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.471 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 8.5 ptmt -52.01 -61.58 2.17 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 123.303 1.525 . . . . 0.0 114.175 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.471 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -57.41 -45.26 84.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 112.662 -2.063 . . . . 0.0 110.586 171.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mm -68.23 -44.06 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.552 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.66 64.94 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 121.313 1.87 . . . . 0.0 114.573 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.97 -36.92 13.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.589 1.955 . . . . 0.0 112.694 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.66 -37.65 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 126.885 2.074 . . . . 0.0 110.65 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.38 -51.11 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 C-N-CA 123.114 0.566 . . . . 0.0 112.2 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.13 -42.07 69.08 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 125.083 1.353 . . . . 0.0 112.586 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.38 56.13 Favored 'General case' 0 C--O 1.2 -1.531 0 C-N-CA 126.556 1.942 . . . . 0.0 115.883 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.41 -17.59 54.79 Favored Glycine 0 C--O 1.213 -1.203 0 C-N-CA 128.108 2.766 . . . . 0.0 116.908 -165.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 118.181 0.99 . . . . 0.0 113.435 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 C--O 1.156 -3.865 0 C-N-CA 127.463 2.305 . . . . 0.0 115.531 173.77 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.531 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' C' ' 49' ' ' ALA . 71.0 mmtt -61.62 -17.12 53.95 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.49 2.316 . . . . 0.0 113.517 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -3.55 0.21 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 129.513 3.125 . . . . 0.0 114.548 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -67.81 -80.15 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.891 2.476 . . . . 0.0 114.196 -163.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -0.51 2.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.45 -64.92 1.08 Allowed 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.708 -1.245 . . . . 0.0 110.057 159.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.78 3.07 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 119.017 0.826 . . . . 0.0 112.247 -169.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -13.74 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 119.414 1.006 . . . . 0.0 111.545 -165.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.97 -40.11 12.56 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 127.037 2.135 . . . . 0.0 108.476 -165.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.51 -46.97 77.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 123.574 0.75 . . . . 0.0 110.929 160.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.6 -39.29 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 O-C-N 119.974 -1.703 . . . . 0.0 111.138 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.01 -23.98 66.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.62 -37.35 18.15 Favored 'General case' 0 C--O 1.21 -0.99 0 C-N-CA 125.512 1.525 . . . . 0.0 111.816 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.16 -34.16 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 O-C-N 119.965 -1.709 . . . . 0.0 111.186 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 124.865 1.266 . . . . 0.0 112.675 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.8 -38.74 92.22 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . 1.083 ' HB1' ' CA ' ' C' ' 62' ' ' ALA . . . -65.75 -31.55 72.6 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.117 1.767 . . . . 0.0 114.028 165.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.33 79.91 Favored Glycine 0 C--O 1.177 -3.425 0 C-N-CA 128.183 2.801 . . . . 0.0 115.921 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.97 20.16 79.85 Favored Glycine 0 C--N 1.298 -1.55 0 O-C-N 119.63 -2.1 . . . . 0.0 115.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.438 -1.034 0 C-N-CA 127.559 2.344 . . . . 0.0 116.853 177.509 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.117 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' D' ' 71' ' ' ALA . 46.8 mmtm -65.18 -14.93 61.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.78 1.05 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -81.63 5.93 16.68 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 127.279 2.232 . . . . 0.0 115.514 -165.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.45 -55.76 2.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 118.111 0.414 . . . . 0.0 110.592 154.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.83 75.62 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.678 1.991 . . . . 0.0 113.819 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.8 32.5 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 122.851 1.31 . . . . 0.0 110.839 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mm -67.62 -44.03 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.69 -1.257 . . . . 0.0 113.358 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.76 -31.16 71.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.407 1.483 . . . . 0.0 112.308 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.77 -64.19 0.99 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.529 0.681 . . . . 0.0 110.931 160.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.287 1.3 tt -69.42 -41.23 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 O-C-N 119.909 -1.745 . . . . 0.0 110.973 -164.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -22.46 66.97 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.37 -36.95 16.29 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 125.098 1.359 . . . . 0.0 111.643 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 125.238 1.415 . . . . 0.0 111.379 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mt -59.69 -50.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.093 1.757 . . . . 0.0 111.66 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -61.85 -30.19 70.68 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.05 33.21 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 125.848 1.659 . . . . 0.0 114.941 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.83 -22.64 27.69 Favored Glycine 0 C--O 1.179 -3.296 0 C-N-CA 128.463 2.935 . . . . 0.0 115.516 -163.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.51 37.03 89.51 Favored Glycine 0 C--O 1.196 -2.28 0 CA-C-N 119.326 1.563 . . . . 0.0 115.909 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--O 1.193 -1.916 0 O-C-N 120.162 -1.787 . . . . 0.0 114.55 177.117 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.956 ' H1 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.208 -1.112 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.43 -15.27 35.37 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -58.95 -12.45 4.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.851 2.46 . . . . 0.0 113.938 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.14 -10.78 0.39 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.732 1.613 . . . . 0.0 113.656 163.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.64 -81.08 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.9 2.08 . . . . 0.0 113.906 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.22 2.85 2.54 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.18 -51.06 5.78 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 124.568 1.147 . . . . 0.0 112.934 161.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -65.9 0.64 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.506 1.122 . . . . 0.0 113.496 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -24.41 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 123.156 0.582 . . . . 0.0 112.562 -168.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -76.1 -44.82 36.91 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.082 2.553 . . . . 0.0 109.647 -168.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.12 78.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.293 1.037 . . . . 0.0 112.561 162.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.03 -35.49 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.834 -171.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.38 -20.49 65.56 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.39 -41.83 13.29 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 124.507 1.123 . . . . 0.0 113.185 172.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.29 -33.69 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 129.422 3.089 . . . . 0.0 109.171 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.41 -58.69 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 C-N-CA 125.715 1.606 . . . . 0.0 111.713 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -56.26 -39.93 73.39 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.578 0.751 . . . . 0.0 112.887 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.83 60.71 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 125.779 1.632 . . . . 0.0 114.372 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.01 -22.21 78.2 Favored Glycine 0 C--O 1.202 -1.852 0 C-N-CA 126.732 2.111 . . . . 0.0 112.791 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.51 29.3 72.92 Favored Glycine 0 N--CA 1.432 -1.59 0 CA-C-N 118.673 1.237 . . . . 0.0 114.777 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -51.68 -31.72 27.0 Favored 'General case' 0 C--O 1.177 -2.714 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.816 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -1.555 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.72 16.98 1.12 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 129.043 2.937 . . . . 0.0 116.984 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.95 -10.92 57.35 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -7.85 0.25 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 127.245 2.218 . . . . 0.0 114.761 163.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.145 0.978 . . . . 0.0 112.652 -169.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.73 13.93 0.32 Allowed 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.35 -62.72 1.45 Allowed 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 119.473 -2.017 . . . . 0.0 112.386 153.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -35.14 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 122.111 0.958 . . . . 0.0 111.624 -169.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.16 -41.63 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 C-N-CA 125.737 1.615 . . . . 0.0 111.937 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -64.0 -38.31 90.59 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 123.697 0.799 . . . . 0.0 112.743 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.41 -52.72 64.39 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.72 164.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 0.7 OUTLIER -64.02 -44.82 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 120.14 1.337 . . . . 0.0 112.483 -173.346 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.3 -16.21 64.14 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -33.93 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.386 1.874 . . . . 0.0 111.93 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.96 -32.14 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.841 1.656 . . . . 0.0 109.63 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 54.1 mt -59.26 -57.64 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 O-C-N 120.564 -1.335 . . . . 0.0 111.13 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -53.1 -44.64 67.77 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.566 1.546 . . . . 0.0 115.119 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.27 60.48 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.041 1.736 . . . . 0.0 113.701 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.55 -33.84 21.15 Favored Glycine 0 C--O 1.184 -2.969 0 C-N-CA 125.75 1.643 . . . . 0.0 113.786 -174.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.28 36.0 22.02 Favored Glycine 0 N--CA 1.42 -2.418 0 C-N-CA 127.553 2.502 . . . . 0.0 118.016 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -54.65 -25.94 30.04 Favored 'General case' 0 C--O 1.176 -2.804 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.865 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 0.98 ' H3 ' ' CH3' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.207 -1.183 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.15 -5.67 28.79 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -55.67 -34.07 64.68 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 118.847 -2.408 . . . . 0.0 115.045 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.7 -12.69 1.97 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.467 1.907 . . . . 0.0 114.833 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' C' ' 51' ' ' ALA . . . -65.91 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.138 1.375 . . . . 0.0 112.225 -169.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.67 32.9 0.13 Allowed 'General case' 0 C--O 1.197 -1.67 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' C' ' 49' ' ' ALA . . . -121.65 -27.62 4.69 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 131.539 3.935 . . . . 0.0 112.825 170.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.44 -49.31 3.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.675 1.59 . . . . 0.0 112.527 167.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.15 -34.31 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 124.298 1.039 . . . . 0.0 111.504 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . 0.57 ' HG3' ' H ' ' C' ' 55' ' ' ALA . 18.2 ptmt -55.27 -61.3 2.42 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.72 1.208 . . . . 0.0 113.64 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . 0.57 ' H ' ' HG3' ' C' ' 54' ' ' LYS . . . -64.45 12.47 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.183 3.393 . . . . 0.0 115.427 166.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 mm -122.18 -50.07 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.949 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.87 -24.04 67.59 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 121.13 1.786 . . . . 0.0 113.676 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.37 -38.89 49.1 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.481 1.513 . . . . 0.0 113.116 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.4 -31.82 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.612 1.965 . . . . 0.0 110.89 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 mt -53.67 -51.56 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 O-C-N 120.018 -1.676 . . . . 0.0 110.873 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -61.26 -47.46 85.94 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 128.145 2.578 . . . . 0.0 111.445 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.56 71.4 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 125.875 1.67 . . . . 0.0 111.345 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.08 -35.86 89.67 Favored Glycine 0 C--O 1.198 -2.122 0 C-N-CA 130.433 3.873 . . . . 0.0 111.785 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.28 42.93 17.53 Favored Glycine 0 C--O 1.216 -0.974 0 C-N-CA 127.304 2.383 . . . . 0.0 113.704 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -63.99 135.03 56.11 Favored 'General case' 0 C--O 1.175 -2.848 0 CA-C-O 123.71 1.719 . . . . 0.0 112.265 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.267 -2.992 0 O-C-N 117.306 -3.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.974 ' H1 ' ' C ' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.174 -2.884 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.82 60.81 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -51.33 -51.48 53.99 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.037 1.735 . . . . 0.0 111.842 162.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.26 7.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.578 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.12 4.74 29.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.211 1.804 . . . . 0.0 115.134 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.39 -62.24 1.32 Allowed 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.987 -1.07 . . . . 0.0 110.109 150.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.23 65.64 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.389 1.876 . . . . 0.0 115.228 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -40.06 46.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.697 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -69.42 -44.25 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.398 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . 1.081 ' HZ2' ' CE ' ' D' ' 76' ' ' LYS . 88.0 mttt -71.13 -29.41 65.21 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.612 1.565 . . . . 0.0 114.284 -177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -64.58 0.9 Allowed 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.879 156.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.84 -39.79 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 118.43 -2.668 . . . . 0.0 112.064 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.68 -12.64 61.43 Favored 'General case' 0 C--O 1.196 -1.745 0 O-C-N 120.028 -1.67 . . . . 0.0 113.979 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.08 -35.65 10.35 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 119.573 -1.954 . . . . 0.0 113.464 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 83.8 mt -70.93 -27.58 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.45 1.5 . . . . 0.0 109.294 174.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.25 -50.32 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 120.853 1.661 . . . . 0.0 111.992 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . 1.619 ' HZ1' ' CE ' ' D' ' 83' ' ' LYS . 11.3 tptt -53.93 -36.22 62.53 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 173.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.84 -42.43 14.15 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 125.323 1.449 . . . . 0.0 112.591 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.7 77.2 Favored Glycine 0 C--O 1.197 -2.186 0 C-N-CA 127.954 2.693 . . . . 0.0 115.063 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.66 32.62 57.13 Favored Glycine 0 C--O 1.182 -3.118 0 C-N-CA 125.21 1.386 . . . . 0.0 115.851 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -52.08 -25.19 8.12 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 127.951 2.5 . . . . 0.0 117.024 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.256 -3.469 0 O-C-N 119.198 -2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.33 15.35 0.66 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 130.271 3.429 . . . . 0.0 116.827 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 5' ' ' ALA . 31.3 mtmt -67.21 -14.32 62.8 Favored 'General case' 0 N--CA 1.439 -0.976 0 O-C-N 119.284 -2.135 . . . . 0.0 116.274 177.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.33 1.03 0.09 Allowed 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.061 2.145 . . . . 0.0 116.387 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 3' ' ' LYS . . . -88.46 9.46 23.56 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 -160.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.88 -54.21 2.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.477 -1.39 . . . . 0.0 111.877 151.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.89 68.54 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 127.185 2.194 . . . . 0.0 113.47 -167.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.01 -40.27 15.98 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 119.494 1.043 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.47 -44.92 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.442 1.497 . . . . 0.0 112.502 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -65.22 -38.77 91.46 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.092 2.157 . . . . 0.0 110.27 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.25 5.38 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 118.745 0.702 . . . . 0.0 111.417 162.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -45.79 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.191 1.396 . . . . 0.0 113.357 -168.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.77 67.49 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.971 1.714 . . . . 0.0 113.987 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.61 -39.09 16.47 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.964 1.306 . . . . 0.0 112.34 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.76 -33.51 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 125.847 1.659 . . . . 0.0 109.593 172.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.21 -57.94 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 119.838 1.199 . . . . 0.0 112.13 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.65 32.04 Favored 'General case' 0 C--O 1.212 -0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 112.052 174.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.4 25.99 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.478 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.28 -39.18 44.41 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 128.28 2.848 . . . . 0.0 113.69 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 27.36 29.24 Favored Glycine 0 C--O 1.195 -2.323 0 C-N-CA 126.648 2.071 . . . . 0.0 114.06 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -54.63 -30.64 55.51 Favored 'General case' 0 C--O 1.179 -2.612 0 C-N-CA 126.272 1.829 . . . . 0.0 114.9 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -8.84 9.26 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -61.67 -16.08 45.74 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 167.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.61 -13.27 0.93 Allowed 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 125.488 1.515 . . . . 0.0 114.951 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.494 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -60.3 -92.99 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 129.402 3.081 . . . . 0.0 113.085 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.62 33.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.599 1.16 . . . . 0.0 112.588 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -112.83 -37.11 4.95 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 129.632 3.173 . . . . 0.0 111.934 166.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.87 -56.78 2.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 124.582 1.153 . . . . 0.0 111.313 172.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mm -52.68 -29.66 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 C-N-CA 126.26 1.824 . . . . 0.0 113.499 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.532 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 37.7 pttt -60.72 -60.7 3.38 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 123.687 1.708 . . . . 0.0 114.113 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.532 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -53.98 -48.07 70.73 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.623 -2.081 . . . . 0.0 111.467 167.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mm -67.66 -41.32 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 124.572 1.149 . . . . 0.0 110.948 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.22 66.31 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 121.359 1.89 . . . . 0.0 114.965 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.39 -38.03 16.53 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 126.966 2.106 . . . . 0.0 113.166 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.87 -34.94 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.476 2.311 . . . . 0.0 109.34 173.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 22.3 mt -64.54 -51.7 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 124.807 1.243 . . . . 0.0 111.256 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -56.69 -42.27 78.79 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 123.688 0.795 . . . . 0.0 113.138 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.69 68.26 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.21 2.204 . . . . 0.0 112.531 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.69 -15.1 81.5 Favored Glycine 0 C--O 1.218 -0.848 0 C-N-CA 127.786 2.613 . . . . 0.0 116.817 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.49 77.7 Favored Glycine 0 C--O 1.211 -1.293 0 O-C-N 120.857 -1.378 . . . . 0.0 115.102 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -58.24 -35.01 71.06 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 127.504 2.322 . . . . 0.0 113.433 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 O-C-N 119.448 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 0.942 ' H1 ' ' C ' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.215 -0.758 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.77 -18.32 20.94 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 125.981 1.713 . . . . 0.0 115.448 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' C' ' 49' ' ' ALA . 90.3 mttt -64.79 -13.98 57.38 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 173.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -4.58 0.53 Allowed 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.338 1.855 . . . . 0.0 114.816 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -74.76 -71.17 0.36 Allowed 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.725 1.61 . . . . 0.0 115.201 -167.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.47 -2.01 15.22 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.655 1.982 . . . . 0.0 115.957 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.66 -55.43 4.12 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.175 -0.953 . . . . 0.0 110.111 159.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.69 -69.54 0.24 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 126.466 1.906 . . . . 0.0 113.61 -173.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -18.89 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 O-C-N 120.692 -1.255 . . . . 0.0 112.257 -166.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -78.16 -40.7 37.09 Favored 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 127.766 2.427 . . . . 0.0 110.215 -171.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.07 95.52 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.467 -0.771 . . . . 0.0 112.98 161.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.15 -27.24 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.466 -166.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.4 65.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.168 -2.207 . . . . 0.0 113.397 167.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.69 -40.01 23.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.597 1.559 . . . . 0.0 113.054 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 mt -67.62 -28.17 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 126.38 1.872 . . . . 0.0 111.187 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.4 mt -61.51 -53.27 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.146 -1.596 . . . . 0.0 110.011 172.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.75 -41.84 99.39 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.805 1.642 . . . . 0.0 111.599 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.44 57.67 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 125.589 1.555 . . . . 0.0 113.861 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.59 -33.66 55.47 Favored Glycine 0 C--O 1.193 -2.463 0 C-N-CA 129.375 3.369 . . . . 0.0 112.815 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.15 25.42 34.01 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-N 119.505 1.652 . . . . 0.0 113.161 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -58.83 -20.65 52.53 Favored 'General case' 0 C--O 1.187 -2.209 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.649 0 O-C-N 118.988 -2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.966 ' H2 ' ' C ' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.177 -2.749 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.91 -47.55 51.85 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 125.602 1.561 . . . . 0.0 114.869 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -77.67 -43.22 31.97 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 129.212 3.005 . . . . 0.0 112.689 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.83 -34.59 5.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.217 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.55 5.65 23.35 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.048 1.739 . . . . 0.0 114.559 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.97 -56.85 2.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.925 -0.56 . . . . 0.0 111.871 149.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.83 -40.62 60.81 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 127.54 2.336 . . . . 0.0 113.928 -170.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.72 22.56 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 123.582 1.658 . . . . 0.0 112.974 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.17 -42.83 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.202 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -62.01 -34.69 76.66 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 124.497 1.119 . . . . 0.0 111.885 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.72 -60.44 3.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.4 1.08 . . . . 0.0 109.312 165.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.298 1.5 tt -62.27 -45.75 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 O-C-N 120.626 -1.296 . . . . 0.0 111.696 -169.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.62 -16.75 63.44 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.97 -44.03 11.92 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 125.125 1.37 . . . . 0.0 110.761 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.43 -34.02 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 C-N-CA 126.855 2.062 . . . . 0.0 111.036 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 60.0 mt -62.1 -48.48 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.41 1.484 . . . . 0.0 110.803 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -65.11 -46.51 80.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 126.585 1.954 . . . . 0.0 112.443 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -39.28 51.97 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.424 1.89 . . . . 0.0 113.103 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.65 80.42 Favored Glycine 0 C--O 1.212 -1.247 0 C-N-CA 125.8 1.667 . . . . 0.0 112.957 169.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.02 8.36 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 126.58 2.038 . . . . 0.0 112.842 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -57.42 150.54 18.3 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 119.158 1.479 . . . . 0.0 111.858 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.187 0 O-C-N 118.888 -2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.255 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.02 61.98 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.05 -16.6 45.49 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 126.083 1.753 . . . . 0.0 113.619 173.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.59 -11.48 1.35 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 126.995 2.118 . . . . 0.0 114.092 167.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.57 -87.19 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.871 1.668 . . . . 0.0 113.416 -167.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.44 1.29 Allowed 'General case' 0 N--CA 1.437 -1.092 0 O-C-N 119.559 -1.963 . . . . 0.0 115.214 -167.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.16 -44.32 9.32 Favored 'General case' 0 C--O 1.184 -2.394 0 C-N-CA 125.781 1.633 . . . . 0.0 111.633 164.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.0 -37.89 12.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 118.698 -2.502 . . . . 0.0 110.458 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.97 -39.35 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 124.896 1.278 . . . . 0.0 110.919 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -53.9 -51.02 65.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 119.575 1.08 . . . . 0.0 113.097 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.33 6.46 0.78 Allowed 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.233 2.213 . . . . 0.0 115.953 172.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -109.64 -61.99 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.416 2.286 . . . . 0.0 110.774 156.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -33.39 64.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 123.754 2.979 . . . . 0.0 113.733 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.08 76.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.339 1.456 . . . . 0.0 113.072 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.82 -34.43 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.645 1.978 . . . . 0.0 110.872 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.6 mt -51.86 -46.82 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-N 121.344 1.884 . . . . 0.0 110.948 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -75.22 -44.69 44.84 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.331 1.452 . . . . 0.0 113.859 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.65 -43.04 17.42 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.72 -36.28 93.09 Favored Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 125.713 1.625 . . . . 0.0 112.849 163.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 62.35 3.35 Favored Glycine 0 C--O 1.213 -1.181 0 C-N-CA 127.04 2.257 . . . . 0.0 112.315 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -53.21 -43.47 67.23 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 120.172 1.986 . . . . 0.0 115.424 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.96 ' H1 ' ' C ' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.206 -1.194 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -22.06 56.64 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.49 -15.66 7.63 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.51 -13.42 0.37 Allowed 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 127.391 2.277 . . . . 0.0 112.876 165.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.034 2.534 . . . . 0.0 110.446 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.17 -26.98 68.08 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.04 -12.21 60.4 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.53 -69.22 0.82 Allowed 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.282 -1.512 . . . . 0.0 110.106 150.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 mm -58.78 -27.74 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 127.456 2.302 . . . . 0.0 113.631 -157.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.55 32.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.799 -1.188 . . . . 0.0 111.793 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.75 85.99 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.049 1.34 . . . . 0.0 110.915 163.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . 1.595 HD11 ' CG1' ' B' ' 34' ' ' ILE . 0.1 OUTLIER -72.93 -38.98 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 120.249 -1.532 . . . . 0.0 110.925 -168.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.65 64.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 120.938 1.699 . . . . 0.0 113.386 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.03 -39.44 12.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.36 1.864 . . . . 0.0 113.279 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.44 -31.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.661 1.985 . . . . 0.0 110.371 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.77 -53.45 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 O-C-N 120.213 -1.554 . . . . 0.0 111.383 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.42 -35.53 72.21 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.965 2.106 . . . . 0.0 113.106 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.38 -29.67 33.91 Favored 'General case' 0 C--O 1.205 -1.281 0 C-N-CA 124.879 1.271 . . . . 0.0 113.68 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.28 56.9 Favored Glycine 0 C--O 1.214 -1.097 0 C-N-CA 127.957 2.694 . . . . 0.0 111.438 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 29.35 24.47 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 126.181 1.848 . . . . 0.0 114.119 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -54.72 -29.4 53.34 Favored 'General case' 0 C--O 1.19 -2.036 0 C-N-CA 127.939 2.496 . . . . 0.0 114.531 -171.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.071 0 O-C-N 118.382 -2.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 0.978 ' H3 ' ' C ' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.21 -1.005 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.92 6.16 1.14 Allowed 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 127.424 2.29 . . . . 0.0 117.064 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . 1.168 ' HZ1' ' CE ' ' C' ' 47' ' ' LYS . 60.5 mttp -62.09 -17.26 57.08 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 126.235 1.814 . . . . 0.0 114.694 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -11.79 0.65 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.866 2.067 . . . . 0.0 114.219 167.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.79 -87.79 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.414 2.286 . . . . 0.0 110.672 -165.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.543 -1.348 . . . . 0.0 113.878 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.1 55.91 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 115.115 175.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.48 -61.48 1.42 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.322 1.419 . . . . 0.0 110.345 156.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mm -65.72 -27.56 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.546 1.538 . . . . 0.0 112.204 -158.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -72.48 -40.01 67.27 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 121.214 -0.929 . . . . 0.0 112.61 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -39.87 80.55 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 123.735 0.647 . . . . 0.0 111.896 165.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . 0.404 ' HA ' ' HB ' ' C' ' 59' ' ' ILE 0.262 46.6 mt -79.1 -33.36 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-O 117.59 -1.195 . . . . 0.0 110.344 -166.237 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.82 -18.36 64.04 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 121.663 2.029 . . . . 0.0 114.217 171.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.37 -36.99 14.3 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 126.807 2.043 . . . . 0.0 113.152 171.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' C' ' 56' ' ' ILE . 22.0 mt -64.48 -35.38 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.748 2.019 . . . . 0.0 111.238 170.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 14.4 mt -57.32 -52.71 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.284 -2.135 . . . . 0.0 111.553 171.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -59.4 -38.14 79.8 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 125.654 1.582 . . . . 0.0 113.229 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.7 -35.72 60.21 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 113.778 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.84 -25.56 71.47 Favored Glycine 0 C--O 1.214 -1.101 0 C-N-CA 126.865 2.174 . . . . 0.0 113.976 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.49 41.94 35.0 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 118.592 1.196 . . . . 0.0 114.2 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.67 -24.69 67.89 Favored 'General case' 0 C--O 1.185 -2.329 0 C-N-CA 127.403 2.281 . . . . 0.0 113.264 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.439 0 O-C-N 118.849 -2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.73 20.2 2.87 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.429 1.492 . . . . 0.0 113.995 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -57.95 -43.3 86.3 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 124.896 1.278 . . . . 0.0 112.148 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -8.99 29.43 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.49 2.716 . . . . 0.0 114.528 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.82 12.25 15.61 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -156.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 -58.13 2.1 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 153.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.36 79.63 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 118.606 -2.559 . . . . 0.0 114.67 -166.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.0 44.66 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 121.417 0.627 . . . . 0.0 112.154 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 43.6 mm -69.18 -38.76 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.588 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.27 -30.43 64.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.685 1.194 . . . . 0.0 112.16 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -62.11 2.13 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 125.615 1.822 . . . . 0.0 111.462 159.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 tt -67.81 -41.91 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.87 -167.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.31 -18.06 65.13 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 120.769 1.622 . . . . 0.0 114.18 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.86 -44.1 11.33 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.347 1.459 . . . . 0.0 111.981 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -64.71 -30.52 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 126.422 1.889 . . . . 0.0 110.418 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.22 -52.41 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 O-C-N 121.301 -0.874 . . . . 0.0 110.394 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -61.72 -45.81 92.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.0 66.91 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.95 -35.96 53.03 Favored Glycine 0 C--O 1.212 -1.224 0 C-N-CA 127.915 2.674 . . . . 0.0 112.097 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.21 5.73 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 124.971 1.272 . . . . 0.0 114.192 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -61.9 -29.24 70.07 Favored 'General case' 0 C--O 1.173 -2.921 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.494 0 O-C-N 118.182 -2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.956 ' H3 ' ' C ' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.176 -2.775 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.51 11.42 0.12 Allowed 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 130.564 3.546 . . . . 0.0 118.008 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -62.66 -21.72 65.92 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.53 -8.51 6.45 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.904 2.081 . . . . 0.0 113.537 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.289 . . -63.8 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.531 -169.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.13 62.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 120.841 1.655 . . . . 0.0 114.232 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.5 53.86 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.977 ' HB3' ' CA ' ' A' ' 8' ' ' ALA . . . -101.82 -65.49 0.98 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.496 0.665 . . . . 0.0 111.541 156.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mm -59.45 -30.14 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 124.367 1.067 . . . . 0.0 113.724 -160.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -42.04 63.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 123.368 0.667 . . . . 0.0 111.932 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.13 83.42 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.727 0.811 . . . . 0.0 111.17 166.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.68 -40.75 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 119.716 1.143 . . . . 0.0 110.711 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.77 -19.81 66.03 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 120.804 1.638 . . . . 0.0 114.573 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.79 -41.3 19.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.385 1.074 . . . . 0.0 112.532 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mt -67.43 -26.81 36.72 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 C-N-CA 127.497 2.319 . . . . 0.0 110.748 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.72 -50.72 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 O-C-N 120.287 -1.508 . . . . 0.0 111.976 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -62.95 -48.1 80.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.936 1.295 . . . . 0.0 113.556 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.99 -36.14 62.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.471 1.109 . . . . 0.0 113.434 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.87 97.12 Favored Glycine 0 C--O 1.211 -1.297 0 C-N-CA 126.164 1.84 . . . . 0.0 112.298 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.07 43.39 3.82 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 125.522 1.534 . . . . 0.0 113.622 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.7 -25.82 68.11 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 125.555 1.542 . . . . 0.0 114.956 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 O-C-N 119.556 -1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.99 151.43 47.67 Favored 'General case' 0 N--CA 1.396 -3.155 0 C-N-CA 128.879 2.872 . . . . 0.0 114.625 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -67.62 -11.41 58.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.39 -18.6 0.41 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 161.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.39 -86.98 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.899 1.679 . . . . 0.0 111.434 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.11 8.17 0.81 Allowed 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 -48.13 6.49 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 118.883 -2.386 . . . . 0.0 113.103 164.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.69 -37.15 15.76 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.782 -1.199 . . . . 0.0 111.072 -175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mm -60.4 -42.38 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -56.08 -49.38 73.96 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 123.338 0.655 . . . . 0.0 112.517 172.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.32 -0.06 4.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 171.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.277 0.3 OUTLIER -106.83 -57.1 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 126.685 1.994 . . . . 0.0 112.98 164.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.14 72.16 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 123.395 2.816 . . . . 0.0 113.775 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.3 86.81 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.535 1.134 . . . . 0.0 111.89 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -74.24 -32.76 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 128.132 2.573 . . . . 0.0 110.249 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.56 -49.72 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 121.024 1.738 . . . . 0.0 110.163 170.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -72.67 -46.47 53.69 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.701 1.601 . . . . 0.0 112.28 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 -39.55 31.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 120.561 -1.337 . . . . 0.0 112.627 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 -43.7 92.75 Favored Glycine 0 C--O 1.197 -2.213 0 C-N-CA 125.08 1.324 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.84 51.53 2.82 Favored Glycine 0 C--O 1.208 -1.511 0 C-N-CA 125.905 1.717 . . . . 0.0 115.319 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -59.31 -29.18 67.43 Favored 'General case' 0 C--O 1.17 -3.126 0 O-C-N 120.31 -1.7 . . . . 0.0 114.554 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.788 0 CA-C-N 120.897 1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.85 61.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.58 -9.61 6.32 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.348 1.859 . . . . 0.0 115.771 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.44 -11.05 0.17 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.581 1.952 . . . . 0.0 114.873 158.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.72 -79.44 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.678 2.391 . . . . 0.0 111.718 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.9 11.3 1.45 Allowed 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 119.902 -1.749 . . . . 0.0 114.391 -170.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.85 -55.45 3.63 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.465 1.906 . . . . 0.0 111.626 158.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.41 18.32 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.009 0.923 . . . . 0.0 111.283 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 124.7 1.2 . . . . 0.0 111.959 171.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.94 -40.35 97.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.2 49.66 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.109 0.964 . . . . 0.0 112.467 163.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -41.42 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 118.748 -2.47 . . . . 0.0 112.02 -171.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.36 -21.8 66.24 Favored 'General case' 0 C--O 1.21 -1.012 0 O-C-N 119.942 -1.724 . . . . 0.0 113.0 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.55 -41.74 13.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.849 -1.157 . . . . 0.0 112.963 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 52.8 mt -62.35 -32.73 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.807 1.643 . . . . 0.0 111.459 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.78 -50.82 78.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 O-C-N 120.443 -1.41 . . . . 0.0 110.0 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.75 -40.29 83.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.063 1.745 . . . . 0.0 113.746 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.08 -38.11 61.38 Favored 'General case' 0 C--O 1.194 -1.821 0 C-N-CA 125.501 1.52 . . . . 0.0 114.015 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.28 90.96 Favored Glycine 0 C--O 1.211 -1.318 0 C-N-CA 127.797 2.617 . . . . 0.0 113.483 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.38 32.27 20.07 Favored Glycine 0 C--O 1.2 -2.03 0 C-N-CA 125.557 1.551 . . . . 0.0 113.597 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -54.02 -21.84 9.2 Favored 'General case' 0 C--O 1.176 -2.783 0 C-N-CA 130.197 3.399 . . . . 0.0 115.074 -170.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.278 -2.515 0 O-C-N 118.027 -2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -23.65 14.83 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.407 ' C ' ' H ' ' D' ' 71' ' ' ALA . 56.4 mtpt -60.2 -8.66 2.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -1.85 0.17 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.717 1.607 . . . . 0.0 114.657 165.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -75.29 1.67 13.07 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -167.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.36 -34.25 5.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 120.268 -1.52 . . . . 0.0 111.041 154.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -11.14 30.74 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.638 1.975 . . . . 0.0 115.854 -175.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.53 -54.87 2.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 119.672 1.124 . . . . 0.0 112.542 152.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.35 -33.05 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 125.316 1.447 . . . . 0.0 113.832 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -73.33 -35.95 66.11 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 112.06 -173.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.82 73.41 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.548 0.69 . . . . 0.0 111.798 161.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.86 -38.47 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 O-C-N 119.705 -1.872 . . . . 0.0 112.35 -166.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.96 62.28 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 120.267 -1.521 . . . . 0.0 114.603 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.64 -38.92 11.09 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.935 2.094 . . . . 0.0 110.829 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.48 -36.69 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.703 2.401 . . . . 0.0 110.03 172.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt -59.75 -51.9 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 124.288 1.035 . . . . 0.0 112.045 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -55.86 -41.76 74.84 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.901 1.281 . . . . 0.0 112.767 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.58 -31.8 60.11 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.545 1.938 . . . . 0.0 113.102 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.18 45.55 Favored Glycine 0 C--O 1.191 -2.542 0 C-N-CA 128.814 3.102 . . . . 0.0 111.78 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 14.65 31.78 Favored Glycine 0 N--CA 1.421 -2.307 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -50.1 119.74 3.87 Favored 'General case' 1 C--O 1.138 -4.776 0 C-N-CA 125.28 1.432 . . . . 0.0 111.741 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.242 -4.087 0 O-C-N 116.988 -3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.989 ' H1 ' ' C ' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.165 -3.372 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.55 -54.07 42.64 Favored 'General case' 0 N--CA 1.394 -3.229 0 C-N-CA 127.64 2.376 . . . . 0.0 115.207 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.36 -34.7 36.27 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 120.587 -1.321 . . . . 0.0 114.166 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.85 24.67 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.988 2.515 . . . . 0.0 113.709 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.286 . . -65.59 -82.34 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.923 1.689 . . . . 0.0 112.043 -165.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.13 -14.05 21.79 Favored 'General case' 1 C--O 1.133 -5.052 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -20.9 61.03 Favored 'General case' 1 C--O 1.152 -4.07 0 O-C-N 118.327 -2.733 . . . . 0.0 113.295 169.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.3 -49.98 2.93 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 122.637 2.471 . . . . 0.0 112.015 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -65.79 -34.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 C-N-CA 125.098 1.359 . . . . 0.0 112.537 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -71.68 -35.14 70.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.832 0.742 . . . . 0.0 110.694 -176.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -55.15 31.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.579 1.552 . . . . 0.0 111.508 161.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.21 -40.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 120.787 -1.195 . . . . 0.0 110.718 -165.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.25 64.8 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.81 -40.76 12.93 Favored 'General case' 0 C--O 1.203 -1.359 0 C-N-CA 124.402 1.081 . . . . 0.0 112.757 168.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.0 mt -67.16 -30.53 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 C-N-CA 127.285 2.234 . . . . 0.0 112.486 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.3 mt -56.91 -46.6 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.091 -2.256 . . . . 0.0 111.599 172.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -73.78 -41.68 62.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.853 1.661 . . . . 0.0 112.99 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.33 -43.43 12.89 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.32 99.17 Favored Glycine 0 C--O 1.205 -1.709 0 C-N-CA 128.033 2.73 . . . . 0.0 110.361 166.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.1 53.33 2.54 Favored Glycine 0 C--O 1.187 -2.838 0 C-N-CA 126.818 2.152 . . . . 0.0 114.622 167.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -59.82 144.54 48.28 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 118.809 1.305 . . . . 0.0 111.87 166.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 118.297 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -14.34 9.72 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.871 2.175 . . . . 0.0 116.871 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 1.225 ' HZ1' ' CE ' ' B' ' 25' ' ' LYS . 35.7 mtmm -65.0 -20.26 66.41 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 121.825 2.102 . . . . 0.0 112.94 173.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.34 -9.78 1.73 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -68.95 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.313 1.445 . . . . 0.0 112.924 -170.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.21 23.06 0.09 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.955 1.302 . . . . 0.0 113.622 -170.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.43 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -113.59 -22.24 10.39 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 131.752 4.021 . . . . 0.0 112.776 169.049 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.55 -55.57 2.41 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 125.203 1.401 . . . . 0.0 110.439 171.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -48.41 -36.59 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 128.142 2.577 . . . . 0.0 111.181 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.59 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 17.8 ptmt -50.96 -61.49 2.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.59 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -67.71 11.53 0.13 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 130.443 3.497 . . . . 0.0 114.11 170.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.69 -53.3 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 116.851 -1.547 . . . . 0.0 109.776 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.58 68.47 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 123.597 2.908 . . . . 0.0 115.221 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.82 68.96 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 125.2 1.4 . . . . 0.0 112.106 169.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.65 -35.12 59.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 128.056 2.542 . . . . 0.0 111.288 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.37 -54.12 24.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 120.493 -1.379 . . . . 0.0 111.765 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -57.86 -42.73 85.13 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 124.177 0.991 . . . . 0.0 113.652 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.7 -35.27 62.73 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.72 63.17 Favored Glycine 0 C--O 1.198 -2.148 0 C-N-CA 128.59 2.995 . . . . 0.0 114.37 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.27 39.09 9.36 Favored Glycine 0 C--O 1.198 -2.134 0 CA-C-N 119.585 1.693 . . . . 0.0 115.047 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -61.97 -22.89 66.03 Favored 'General case' 0 C--O 1.181 -2.503 0 C-N-CA 126.328 1.851 . . . . 0.0 115.56 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.685 0 O-C-N 116.764 -3.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 0.971 ' H2 ' ' CH3' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.208 -1.12 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -3.75 1.38 Allowed 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.716 1.607 . . . . 0.0 114.496 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.73 -29.19 64.55 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 120.76 1.618 . . . . 0.0 112.796 163.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.96 -5.46 9.5 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.917 2.087 . . . . 0.0 114.432 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . 0.299 . . -64.6 -87.86 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.115 1.766 . . . . 0.0 112.686 -164.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.91 -22.53 65.66 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.99 -4.33 16.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 115.413 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -122.21 -57.59 1.76 Allowed 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.866 0.866 . . . . 0.0 111.222 162.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.56 -26.21 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 112.461 -167.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -37.01 57.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.243 -1.535 . . . . 0.0 111.696 -174.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.43 78.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 162.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -69.31 -37.96 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 118.175 -0.916 . . . . 0.0 108.674 -170.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.73 63.64 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 121.245 1.839 . . . . 0.0 115.661 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.27 -40.77 10.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 111.07 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.2 -34.37 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 C-N-CA 128.563 2.745 . . . . 0.0 108.908 168.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -51.2 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 120.148 1.34 . . . . 0.0 111.504 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -59.12 -38.47 79.67 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 126.907 2.083 . . . . 0.0 112.253 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.08 70.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 125.942 1.697 . . . . 0.0 113.432 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.55 -24.94 73.95 Favored Glycine 0 C--O 1.205 -1.676 0 C-N-CA 128.542 2.972 . . . . 0.0 115.02 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 18.34 71.69 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 116.658 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -51.74 -25.54 7.65 Favored 'General case' 0 C--O 1.179 -2.608 0 C-N-CA 127.714 2.406 . . . . 0.0 115.972 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.265 -3.065 0 O-C-N 118.371 -2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.921 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.84 -30.21 26.67 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.92 -42.08 27.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.675 1.59 . . . . 0.0 113.833 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . 0.968 ' HB3' ' CA ' ' D' ' 70' ' ' ALA . . . -44.71 -37.24 3.59 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 127.16 2.184 . . . . 0.0 111.295 162.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.43 5.51 17.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.317 1.847 . . . . 0.0 113.724 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.58 -52.65 2.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 119.365 -2.084 . . . . 0.0 112.668 147.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.47 56.45 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 127.816 2.446 . . . . 0.0 115.073 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.31 -45.21 10.22 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-O 123.018 1.39 . . . . 0.0 111.636 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 37.6 mm -55.46 -45.22 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 C-N-CA 124.96 1.304 . . . . 0.0 113.88 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -62.89 -37.61 87.6 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.527 1.531 . . . . 0.0 113.905 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.25 27.42 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.806 0.691 . . . . 0.0 110.139 163.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -42.9 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 119.831 -1.793 . . . . 0.0 112.727 -167.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -14.1 62.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.7 -38.63 11.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.571 1.549 . . . . 0.0 112.17 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.2 -32.51 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 126.419 1.888 . . . . 0.0 109.818 174.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -57.71 -50.16 78.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 120.526 1.512 . . . . 0.0 111.9 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -67.15 -34.58 77.88 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.246 2.218 . . . . 0.0 114.535 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.68 -41.55 26.61 Favored 'General case' 0 C--O 1.195 -1.804 0 C-N-CA 125.94 1.696 . . . . 0.0 113.773 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.78 -34.18 88.03 Favored Glycine 0 C--O 1.21 -1.35 0 C-N-CA 127.166 2.317 . . . . 0.0 113.958 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.63 39.84 39.84 Favored Glycine 0 C--O 1.203 -1.788 0 C-N-CA 127.104 2.287 . . . . 0.0 113.052 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -47.52 -35.04 8.29 Favored 'General case' 0 C--O 1.193 -1.91 0 C-N-CA 128.415 2.686 . . . . 0.0 115.761 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.276 -2.615 0 O-C-N 117.767 -3.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.968 ' H2 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.206 -1.221 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.14 24.95 5.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 127.16 2.184 . . . . 0.0 114.101 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.62 -32.16 66.97 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -18.3 6.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 124.775 1.23 . . . . 0.0 113.472 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.89 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 124.703 1.201 . . . . 0.0 111.153 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.98 9.68 0.37 Allowed 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.182 -1.574 . . . . 0.0 114.85 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.76 -58.0 2.98 Favored 'General case' 0 C--O 1.207 -1.136 0 O-C-N 120.631 -1.293 . . . . 0.0 112.204 156.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 -41.74 14.2 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.341 -2.1 . . . . 0.0 110.772 -168.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.025 HD13 ' CG1' ' A' ' 9' ' ' ILE . 44.6 mm -55.52 -44.16 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.408 1.483 . . . . 0.0 111.951 170.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.86 -40.51 95.6 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.39 78.22 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 111.698 166.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.292 0.4 OUTLIER -64.09 -44.04 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 O-C-N 119.647 -1.908 . . . . 0.0 110.239 -174.031 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.09 -20.33 65.87 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.236 -2.165 . . . . 0.0 114.034 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.53 -40.74 17.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 124.649 1.18 . . . . 0.0 113.01 170.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.25 -32.62 59.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 125.44 1.496 . . . . 0.0 112.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.1 mt -60.27 -54.76 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.766 1.626 . . . . 0.0 111.989 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -54.59 -39.72 68.13 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 127.361 2.264 . . . . 0.0 113.243 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.13 -25.01 32.33 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.04 -25.43 52.27 Favored Glycine 0 C--O 1.196 -2.223 0 C-N-CA 129.116 3.246 . . . . 0.0 116.305 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.04 53.42 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 118.745 1.272 . . . . 0.0 114.434 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -53.58 -42.48 67.64 Favored 'General case' 0 C--O 1.181 -2.511 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.003 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -1.803 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 55.86 -4.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 129.461 3.104 . . . . 0.0 118.669 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 1.133 ' HZ1' ' CE ' ' B' ' 25' ' ' LYS . 33.2 mttt -70.46 -12.05 61.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 121.301 1.864 . . . . 0.0 114.691 173.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.59 -4.99 0.48 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 127.753 2.421 . . . . 0.0 113.683 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -84.45 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.87 2.468 . . . . 0.0 113.696 -172.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.98 13.31 0.89 Allowed 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.838 -1.164 . . . . 0.0 112.083 -174.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.85 -1.74 33.95 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 119.446 -2.034 . . . . 0.0 113.966 164.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.4 -43.06 1.04 Allowed 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 164.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -31.15 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 120.709 -1.244 . . . . 0.0 111.391 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -71.09 -38.7 72.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.911 1.232 . . . . 0.0 111.817 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.85 79.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 123.127 0.571 . . . . 0.0 111.712 165.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -45.2 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 117.69 -1.148 . . . . 0.0 111.072 -172.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . 0.251 . . -69.91 -1.75 10.44 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 121.33 1.877 . . . . 0.0 114.905 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.38 -41.14 7.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 127.367 2.267 . . . . 0.0 112.627 165.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.6 -26.46 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 126.728 2.011 . . . . 0.0 112.107 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.44 ' HA ' ' CD1' ' B' ' 43' ' ' TYR . 4.6 mm -53.26 -64.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 126.314 1.846 . . . . 0.0 110.062 165.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . 1.139 ' HZ1' ' CE ' ' B' ' 39' ' ' LYS . 56.9 mttp -60.41 -42.31 95.69 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 126.918 2.087 . . . . 0.0 113.53 -177.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.51 -32.33 25.97 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.689 1.596 . . . . 0.0 113.066 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -30.16 76.48 Favored Glycine 0 C--O 1.202 -1.879 0 C-N-CA 127.345 2.402 . . . . 0.0 112.729 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.08 47.75 22.79 Favored Glycine 0 C--O 1.202 -1.883 0 CA-C-N 119.502 1.651 . . . . 0.0 112.227 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 2.0 m-85 -53.69 -33.9 56.97 Favored 'General case' 1 C--O 1.148 -4.247 0 C-N-CA 127.15 2.18 . . . . 0.0 116.727 -174.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.938 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.623 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.85 -27.97 46.32 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 126.979 2.111 . . . . 0.0 115.113 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.53 -12.5 6.54 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.884 1.673 . . . . 0.0 114.89 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.89 -9.13 0.21 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.688 1.595 . . . . 0.0 115.128 162.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.03 -87.35 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.428 3.091 . . . . 0.0 112.478 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.12 68.47 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.32 -13.27 17.99 Favored 'General case' 0 C--O 1.19 -2.069 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -109.19 -61.14 1.67 Allowed 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 126.163 1.785 . . . . 0.0 110.574 157.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 35.4 mm -60.8 -27.62 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 114.183 -163.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.03 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.368 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.13 94.82 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.879 0.872 . . . . 0.0 111.968 162.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -77.87 -37.09 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.37 -164.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -22.12 66.78 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 121.146 1.794 . . . . 0.0 113.057 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.39 -40.2 18.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.307 1.843 . . . . 0.0 112.607 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.41 -32.16 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 125.291 1.437 . . . . 0.0 111.992 171.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.23 -51.09 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.971 1.308 . . . . 0.0 111.198 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.89 -40.81 73.52 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 125.666 1.586 . . . . 0.0 112.274 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.26 63.25 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 124.566 1.147 . . . . 0.0 112.73 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.13 72.14 Favored Glycine 0 C--O 1.17 -3.894 0 C-N-CA 128.984 3.183 . . . . 0.0 116.503 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.54 22.63 69.53 Favored Glycine 0 C--N 1.301 -1.368 0 CA-C-N 121.668 2.734 . . . . 0.0 116.238 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -53.31 -31.54 44.59 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 128.082 2.553 . . . . 0.0 115.627 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.029 0 O-C-N 119.463 -2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.982 ' H3 ' ' CH3' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.202 -1.43 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.78 28.95 0.89 Allowed 'General case' 0 C--O 1.2 -1.549 0 C-N-CA 129.184 2.994 . . . . 0.0 115.889 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' D' ' 71' ' ' ALA . 32.9 mmmt -67.4 -23.86 65.61 Favored 'General case' 0 N--CA 1.44 -0.975 0 O-C-N 118.769 -2.457 . . . . 0.0 112.461 173.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -3.84 0.16 Allowed 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -84.45 9.92 12.14 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -163.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.1 -51.94 2.8 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 118.061 0.392 . . . . 0.0 111.223 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.19 94.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.326 1.451 . . . . 0.0 114.771 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.44 -41.22 56.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.68 0.752 . . . . 0.0 110.668 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.59 -39.97 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 124.894 1.278 . . . . 0.0 111.997 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -63.18 -39.45 94.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.402 1.881 . . . . 0.0 112.736 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.93 0.892 . . . . 0.0 110.285 163.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -43.43 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 O-C-N 120.668 -1.27 . . . . 0.0 112.747 -167.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.38 68.0 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 121.619 2.009 . . . . 0.0 113.761 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.57 30.79 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 120.364 -1.46 . . . . 0.0 112.55 171.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.93 -36.29 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 127.09 2.156 . . . . 0.0 111.088 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mt -52.5 -50.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 120.891 -1.131 . . . . 0.0 111.347 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -70.3 -40.89 73.96 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 113.46 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.65 59.45 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.407 1.483 . . . . 0.0 112.215 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.54 64.81 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 128.527 2.965 . . . . 0.0 113.83 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.84 43.28 10.14 Favored Glycine 0 C--O 1.193 -2.435 0 C-N-CA 125.153 1.358 . . . . 0.0 114.101 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -51.96 -34.63 43.04 Favored 'General case' 0 C--O 1.179 -2.607 0 C-N-CA 126.067 1.747 . . . . 0.0 115.034 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.272 -2.791 0 O-C-N 118.901 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.876 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.15 -16.28 1.96 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.798 2.147 . . . . 0.0 116.798 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.1 -8.22 3.25 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 127.546 2.339 . . . . 0.0 115.599 171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -5.23 0.21 Allowed 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 120.439 -1.413 . . . . 0.0 114.588 159.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.35 -84.12 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.154 2.181 . . . . 0.0 112.573 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.55 68.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.48 1.037 . . . . 0.0 113.767 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.11 65.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 120.416 -1.428 . . . . 0.0 114.531 173.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.3 -63.16 1.2 Allowed 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.789 0.835 . . . . 0.0 112.178 165.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.36 -30.44 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.979 2.512 . . . . 0.0 113.758 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.27 -37.55 60.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.85 80.75 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 160.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.73 -37.36 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 120.771 -1.206 . . . . 0.0 111.587 -167.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.92 63.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 172.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.44 -30.64 12.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.178 1.391 . . . . 0.0 111.795 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.35 -36.94 78.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 C-N-CA 128.188 2.595 . . . . 0.0 109.251 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mt -55.14 -53.92 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 120.041 1.292 . . . . 0.0 111.913 172.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -58.95 -35.97 74.03 Favored 'General case' 0 C--O 1.18 -2.556 0 C-N-CA 127.555 2.342 . . . . 0.0 113.768 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.1 40.48 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 125.645 1.578 . . . . 0.0 114.957 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.98 75.59 Favored Glycine 0 C--O 1.183 -3.091 0 C-N-CA 128.445 2.926 . . . . 0.0 112.722 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.14 25.79 36.01 Favored Glycine 0 C--O 1.196 -2.25 0 CA-C-N 119.684 1.742 . . . . 0.0 117.402 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -59.28 -21.39 59.57 Favored 'General case' 0 C--O 1.166 -3.32 0 C-N-CA 127.19 2.196 . . . . 0.0 115.111 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.246 -3.922 0 O-C-N 120.283 -1.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 1.003 ' H2 ' ' C ' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.192 -1.952 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.73 152.56 24.64 Favored 'General case' 0 C--N 1.249 -3.781 0 C-N-CA 128.705 2.802 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' B' ' 27' ' ' ALA . 55.8 mtmt -65.39 -22.05 66.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.274 1.43 . . . . 0.0 113.666 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.77 -8.64 0.98 Allowed 'General case' 0 N--CA 1.427 -1.578 0 C-N-CA 125.201 1.401 . . . . 0.0 113.66 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' B' ' 25' ' ' LYS . . . -62.85 -85.16 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.656 1.982 . . . . 0.0 111.475 -172.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.07 10.91 1.03 Allowed 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -169.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.15 -59.42 2.26 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 127.498 2.319 . . . . 0.0 110.723 162.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.92 -35.32 24.15 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 111.216 -170.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.06 -39.18 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 124.397 1.079 . . . . 0.0 110.829 173.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -61.01 -45.43 94.84 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 120.937 -1.102 . . . . 0.0 112.068 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.45 13.39 0.09 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.914 2.085 . . . . 0.0 116.206 167.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mm -122.03 -60.22 2.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 129.016 2.926 . . . . 0.0 108.99 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.14 67.68 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 118.323 -2.736 . . . . 0.0 115.147 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 -36.62 19.98 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 125.317 1.447 . . . . 0.0 113.669 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.36 -36.18 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 127.301 2.241 . . . . 0.0 111.602 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.37 -49.01 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 120.425 -1.422 . . . . 0.0 110.743 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -53.41 -44.59 68.86 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.089 0.955 . . . . 0.0 112.124 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.63 -31.04 29.02 Favored 'General case' 0 C--O 1.201 -1.5 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.78 -35.5 58.58 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.292 2.853 . . . . 0.0 113.771 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.65 41.13 57.68 Favored Glycine 0 N--CA 1.437 -1.235 0 C-N-CA 123.68 0.657 . . . . 0.0 112.761 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.42 -27.4 62.37 Favored 'General case' 0 C--O 1.173 -2.932 0 C-N-CA 126.981 2.113 . . . . 0.0 115.732 -173.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.266 -3.056 0 O-C-N 118.184 -2.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.176 -2.794 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.61 -44.52 5.81 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 126.12 1.768 . . . . 0.0 114.193 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.37 -60.26 0.22 Allowed 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.67 66.02 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 125.08 1.352 . . . . 0.0 110.696 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -83.82 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.249 1.42 . . . . 0.0 111.38 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.43 6.52 1.02 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.4 -55.14 3.78 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 127.849 2.46 . . . . 0.0 110.598 164.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.5 -35.94 24.48 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 120.824 -1.172 . . . . 0.0 112.472 -171.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.2 -37.46 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 123.795 0.838 . . . . 0.0 112.504 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -65.08 -38.08 89.6 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 125.517 1.527 . . . . 0.0 110.765 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.748 0.819 . . . . 0.0 111.265 165.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.4 -42.41 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 O-C-N 120.713 -1.242 . . . . 0.0 111.978 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.42 67.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.381 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.34 -45.54 14.77 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.737 2.015 . . . . 0.0 112.873 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.54 -34.15 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 125.913 1.685 . . . . 0.0 112.096 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -51.17 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 124.414 1.086 . . . . 0.0 111.291 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.07 -45.2 95.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.283 1.833 . . . . 0.0 113.795 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.34 77.89 Favored 'General case' 0 C--O 1.211 -0.971 0 C-N-CA 123.665 0.786 . . . . 0.0 112.772 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.45 -32.82 59.35 Favored Glycine 0 C--O 1.205 -1.702 0 C-N-CA 127.332 2.396 . . . . 0.0 112.79 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.36 25.28 26.51 Favored Glycine 0 C--O 1.22 -0.78 0 O-C-N 119.4 -2.236 . . . . 0.0 115.115 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.73 -29.59 69.47 Favored 'General case' 0 C--O 1.174 -2.875 0 C-N-CA 125.79 1.636 . . . . 0.0 114.824 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.402 0 O-C-N 119.371 -2.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.828 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.6 -41.56 66.75 Favored 'General case' 0 C--O 1.184 -2.392 0 C-N-CA 126.964 2.106 . . . . 0.0 116.347 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -108.19 -24.71 11.41 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 127.305 2.242 . . . . 0.0 114.035 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.72 -34.98 1.01 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 126.231 1.812 . . . . 0.0 111.334 164.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.12 -1.41 40.08 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.59 -55.65 2.36 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 120.297 -1.502 . . . . 0.0 112.111 150.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.28 -37.75 62.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 128.09 2.556 . . . . 0.0 114.705 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -45.83 17.46 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.26 1.028 . . . . 0.0 109.909 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.7 -39.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.844 1.658 . . . . 0.0 112.339 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.11 -36.43 72.16 Favored 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 126.466 1.906 . . . . 0.0 113.248 -173.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.23 53.83 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 124.038 0.935 . . . . 0.0 111.426 160.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.96 -41.12 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 121.439 -0.788 . . . . 0.0 112.159 -165.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.19 69.05 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 119.712 -1.868 . . . . 0.0 114.415 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.91 34.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 120.877 -1.139 . . . . 0.0 112.022 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.69 -36.5 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.162 2.585 . . . . 0.0 110.978 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -55.24 -53.39 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.533 1.533 . . . . 0.0 110.973 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -61.85 -40.85 96.79 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 127.05 2.14 . . . . 0.0 112.271 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.55 -36.54 32.91 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 123.634 0.774 . . . . 0.0 111.212 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.33 -39.4 97.18 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 127.963 2.697 . . . . 0.0 114.535 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.24 9.23 Favored Glycine 0 C--O 1.202 -1.901 0 CA-C-O 118.774 -1.015 . . . . 0.0 115.382 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -56.21 120.37 7.45 Favored 'General case' 0 C--O 1.177 -2.758 0 CA-C-O 122.876 1.322 . . . . 0.0 110.916 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.474 0 O-C-N 118.831 -2.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.923 ' H1 ' ' C ' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.205 -1.25 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.21 -6.62 24.5 Favored 'General case' 0 C--O 1.178 -2.71 0 C-N-CA 127.016 2.127 . . . . 0.0 115.959 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -50.03 -40.81 45.98 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.604 -1.935 . . . . 0.0 114.668 164.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.27 -12.75 22.36 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.615 2.766 . . . . 0.0 114.512 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.341 . . -66.11 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -161.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.97 -27.78 54.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.06 -17.12 63.08 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.55 -64.85 1.1 Allowed 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.6 -1.312 . . . . 0.0 111.093 154.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.9 mm -59.21 -31.96 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 124.474 1.11 . . . . 0.0 113.597 -162.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -73.98 -36.82 64.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 120.298 1.408 . . . . 0.0 113.439 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -43.86 67.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.304 0.642 . . . . 0.0 111.088 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.2 mm -72.82 -38.95 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 O-C-N 119.559 -1.963 . . . . 0.0 110.86 -167.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.28 66.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.88 -42.34 13.29 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 111.918 173.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.9 mt -58.12 -39.66 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.587 1.955 . . . . 0.0 110.882 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.6 -52.51 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.041 1.336 . . . . 0.0 113.033 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -60.5 -36.54 78.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.716 0.806 . . . . 0.0 112.109 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -24.96 43.45 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 171.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.98 -34.01 59.16 Favored Glycine 0 C--O 1.207 -1.558 0 C-N-CA 128.014 2.721 . . . . 0.0 113.38 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.57 13.74 62.65 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 118.597 1.199 . . . . 0.0 115.444 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.17 -33.35 57.84 Favored 'General case' 0 C--O 1.203 -1.393 0 C-N-CA 126.513 1.925 . . . . 0.0 113.22 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.449 0 O-C-N 119.064 -2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -12.68 8.92 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.54 -8.88 10.75 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.014 -1.679 . . . . 0.0 114.944 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.03 -4.7 0.35 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 161.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.88 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.09 0.79 4.2 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -165.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.95 -52.11 5.65 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 118.35 -2.719 . . . . 0.0 112.225 164.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.07 -39.02 21.73 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.96 -37.37 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 127.339 2.256 . . . . 0.0 110.984 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -63.82 -45.65 88.64 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.884 0.874 . . . . 0.0 111.118 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 5.01 1.02 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.873 2.069 . . . . 0.0 115.889 165.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.03 -56.23 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 125.728 1.611 . . . . 0.0 112.238 167.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.58 -26.68 68.72 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 121.943 2.156 . . . . 0.0 113.559 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.67 -40.77 63.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.163 1.385 . . . . 0.0 114.173 168.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.6 -33.0 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.986 2.114 . . . . 0.0 110.65 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.11 -52.75 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 O-C-N 120.09 -1.631 . . . . 0.0 110.617 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -65.03 -42.23 94.52 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.222 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.29 -36.19 54.44 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 125.933 1.693 . . . . 0.0 113.823 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.6 -33.96 33.02 Favored Glycine 0 N--CA 1.434 -1.468 0 C-N-CA 127.111 2.291 . . . . 0.0 111.309 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.77 50.32 6.55 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 119.422 1.611 . . . . 0.0 116.015 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -56.39 -19.4 14.7 Favored 'General case' 0 C--O 1.184 -2.36 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.235 0 O-C-N 119.277 -2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 1.017 ' H3 ' ' C ' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.184 -2.349 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -3.32 1.22 Allowed 'General case' 1 N--CA 1.363 -4.818 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.23 -12.96 6.16 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.888 1.675 . . . . 0.0 114.429 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -1.48 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 162.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.96 -93.54 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.068 2.947 . . . . 0.0 111.721 -171.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.06 52.24 Favored 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.23 -61.61 1.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 120.85 -1.156 . . . . 0.0 109.506 165.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.49 -30.83 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.405 1.482 . . . . 0.0 113.215 -165.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -36.37 69.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.425 -1.422 . . . . 0.0 110.884 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.98 82.08 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.389 1.076 . . . . 0.0 113.567 162.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . 0.401 ' HA ' ' HB ' ' C' ' 59' ' ' ILE . 8.9 mm -72.63 -34.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.098 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.79 66.21 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 121.72 2.054 . . . . 0.0 114.281 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 -36.38 17.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.358 1.463 . . . . 0.0 113.547 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.401 ' HB ' ' HA ' ' C' ' 56' ' ' ILE . 36.6 mt -62.85 -33.81 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.592 1.957 . . . . 0.0 111.169 169.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.25 -46.02 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 O-C-N 120.113 -1.617 . . . . 0.0 112.574 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -60.23 -39.59 87.25 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.499 1.92 . . . . 0.0 114.169 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.01 -42.56 57.2 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 112.628 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.52 -34.67 76.74 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 126.663 2.078 . . . . 0.0 115.807 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.56 32.97 17.64 Favored Glycine 0 C--O 1.215 -1.085 0 C-N-CA 125.144 1.355 . . . . 0.0 114.923 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -63.12 -16.51 60.25 Favored 'General case' 0 C--O 1.175 -2.84 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.403 0 O-C-N 117.802 -3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.02 -42.77 69.1 Favored 'General case' 0 N--CA 1.425 -1.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.86 -36.18 50.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.932 0.893 . . . . 0.0 112.503 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.04 -35.41 4.82 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.2 1.8 . . . . 0.0 112.454 166.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.64 3.46 32.76 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.149 1.78 . . . . 0.0 114.468 -171.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.24 -56.41 2.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 O-C-N 120.77 -1.206 . . . . 0.0 111.476 152.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.18 72.76 Favored 'General case' 0 C--O 1.196 -1.723 0 C-N-CA 126.301 1.84 . . . . 0.0 113.392 -168.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -39.68 21.55 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 119.762 1.164 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.7 mm -62.08 -43.7 98.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 124.121 0.968 . . . . 0.0 111.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -66.33 -37.27 84.96 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.496 1.119 . . . . 0.0 112.604 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.93 -60.15 4.0 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 123.85 0.719 . . . . 0.0 111.397 161.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.256 0.4 OUTLIER -68.49 -41.75 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 O-C-N 118.875 -2.391 . . . . 0.0 111.74 -166.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.43 65.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 120.96 1.709 . . . . 0.0 114.035 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.99 -45.5 15.25 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 126.073 1.749 . . . . 0.0 112.459 169.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 53.7 mt -66.12 -26.69 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 126.27 1.828 . . . . 0.0 111.698 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 39.0 mt -61.04 -50.12 81.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 120.149 -1.595 . . . . 0.0 111.703 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -69.99 -42.01 73.64 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.289 1.035 . . . . 0.0 113.008 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.13 -36.91 69.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 123.19 1.472 . . . . 0.0 114.048 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.45 65.74 Favored Glycine 0 C--O 1.204 -1.739 0 C-N-CA 129.171 3.272 . . . . 0.0 111.003 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.58 50.81 7.74 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 115.472 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -57.88 -26.89 62.72 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.986 0 O-C-N 120.669 -1.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.173 -2.947 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.331 . . 60.14 -125.31 1.09 Allowed 'General case' 0 N--CA 1.399 -2.993 1 C-N-CA 133.128 4.571 . . . . 0.0 115.712 . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -48.76 -51.74 27.47 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 128.337 2.655 . . . . 0.0 113.232 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.29 -28.57 12.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.053 1.741 . . . . 0.0 113.384 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.07 8.69 25.51 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -160.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.15 -58.26 2.18 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 124.576 1.15 . . . . 0.0 111.238 149.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.72 -43.46 47.72 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 127.507 2.323 . . . . 0.0 113.163 -171.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.13 -40.71 19.43 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 121.33 -0.856 . . . . 0.0 112.394 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -59.22 -42.35 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 123.872 0.869 . . . . 0.0 112.163 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.83 -55.02 40.56 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.875 2.07 . . . . 0.0 109.348 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 11.73 0.14 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 170.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.16 -64.56 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 127.644 2.378 . . . . 0.0 109.755 161.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -27.24 69.0 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 123.533 2.879 . . . . 0.0 113.027 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.31 57.18 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.122 0.969 . . . . 0.0 111.876 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mp -63.66 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 127.157 2.183 . . . . 0.0 112.793 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.61 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 123.959 0.904 . . . . 0.0 109.3 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -47.79 82.85 Favored 'General case' 0 C--O 1.208 -1.117 0 C-N-CA 125.539 1.535 . . . . 0.0 112.5 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.99 17.0 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 124.039 0.936 . . . . 0.0 112.212 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.1 -33.35 83.1 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 127.703 2.573 . . . . 0.0 113.841 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 55.23 7.85 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.242 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -54.94 -25.49 29.84 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.213 0 O-C-N 119.6 -1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.434 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.29 -31.29 5.76 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.548 2.339 . . . . 0.0 116.258 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' B' ' 27' ' ' ALA . 62.9 mttt -65.81 -6.2 11.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 120.042 -1.661 . . . . 0.0 114.861 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 0.98 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 158.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' B' ' 25' ' ' LYS . . . -72.56 -81.29 0.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.463 1.505 . . . . 0.0 114.239 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.07 9.18 2.09 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 -162.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -52.93 5.7 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.001 1.72 . . . . 0.0 109.083 158.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -49.73 10.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.857 1.263 . . . . 0.0 109.826 -166.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mm -59.2 -36.92 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 128.322 2.649 . . . . 0.0 111.755 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -61.81 -51.43 68.3 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.954 0.901 . . . . 0.0 110.372 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 17.27 0.09 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.471 1.908 . . . . 0.0 115.149 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 mm -127.15 -51.41 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 C-N-CA 126.432 1.893 . . . . 0.0 112.308 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -27.04 68.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 122.153 2.251 . . . . 0.0 115.537 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.21 -44.94 51.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.359 1.463 . . . . 0.0 112.321 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.41 -34.63 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 127.507 2.323 . . . . 0.0 112.859 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.28 -49.94 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 125.291 1.437 . . . . 0.0 111.054 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.03 -40.37 75.23 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.351 2.26 . . . . 0.0 113.004 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.13 -30.16 60.72 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 126.085 1.754 . . . . 0.0 113.834 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.04 -25.02 58.62 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 127.587 2.518 . . . . 0.0 113.796 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.05 38.46 11.24 Favored Glycine 0 C--O 1.195 -2.3 0 C-N-CA 124.755 1.169 . . . . 0.0 115.92 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.03 18.7 0.01 OUTLIER 'General case' 1 C--O 0.645 -30.745 1 CA-C-O 134.435 6.826 . . . . 0.0 114.998 171.738 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 0.973 -15.783 2 O-C-N 79.358 -27.089 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -1.969 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.45 6.26 0.54 Allowed 'General case' 0 N--CA 1.416 -2.149 0 C-N-CA 127.912 2.485 . . . . 0.0 115.677 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' C' ' 49' ' ' ALA . 66.3 mmtt -66.53 -16.96 64.54 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 119.736 -1.852 . . . . 0.0 113.92 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.72 -4.61 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 126.748 2.019 . . . . 0.0 114.664 167.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -59.89 -93.18 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.559 2.344 . . . . 0.0 112.059 -169.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.91 63.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 121.274 1.852 . . . . 0.0 114.791 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.96 -24.34 62.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 119.778 -1.826 . . . . 0.0 114.492 172.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.85 -62.06 1.3 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.696 1.236 . . . . 0.0 110.767 162.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.06 -25.68 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 124.799 1.24 . . . . 0.0 112.215 -161.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -36.19 54.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 119.761 1.164 . . . . 0.0 110.86 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.75 73.33 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 161.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -67.11 -39.41 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 O-C-N 120.182 -1.574 . . . . 0.0 110.738 -171.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.14 -21.94 66.85 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.65 -37.02 17.12 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.08 -35.94 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 126.182 1.793 . . . . 0.0 110.578 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.69 -54.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 O-C-N 120.336 -1.477 . . . . 0.0 112.822 170.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -40.3 71.97 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 125.106 1.362 . . . . 0.0 111.846 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.73 -22.4 40.3 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 125.299 1.439 . . . . 0.0 112.713 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.32 -29.97 69.72 Favored Glycine 0 C--O 1.174 -3.642 0 C-N-CA 128.073 2.749 . . . . 0.0 114.258 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.84 16.31 58.31 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 119.652 1.726 . . . . 0.0 115.783 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -23.7 66.25 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 126.969 2.108 . . . . 0.0 115.418 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.052 0 CA-C-N 120.177 1.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.581 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.48 17.26 0.52 Allowed 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' D' ' 71' ' ' ALA . 8.2 mttp -69.49 -15.97 63.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.322 -1.486 . . . . 0.0 113.315 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.51 -0.99 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 129.546 3.138 . . . . 0.0 115.235 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -85.11 14.11 5.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.824 2.449 . . . . 0.0 115.597 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.06 -58.25 2.05 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 119.551 -1.968 . . . . 0.0 110.233 151.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.63 51.9 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 128.737 2.815 . . . . 0.0 114.857 -169.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.79 25.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.423 0.63 . . . . 0.0 111.983 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 46.1 mm -71.19 -39.82 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 125.083 1.353 . . . . 0.0 111.18 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -66.11 -36.61 83.63 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 126.504 1.922 . . . . 0.0 114.078 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -64.04 0.96 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.593 0.757 . . . . 0.0 112.701 157.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.32 -43.13 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.165 -165.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.83 65.4 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.05 -37.43 17.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.037 1.335 . . . . 0.0 110.455 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.8 mt -70.12 -34.17 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 128.559 2.744 . . . . 0.0 110.469 176.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.04 -54.65 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 119.643 1.11 . . . . 0.0 112.108 169.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . 1.183 ' HZ2' ' CE ' ' D' ' 83' ' ' LYS . 57.9 mttm -58.72 -41.45 86.4 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.102 1.361 . . . . 0.0 114.212 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.82 56.78 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.26 -19.38 72.1 Favored Glycine 0 C--O 1.216 -1.026 0 C-N-CA 128.218 2.818 . . . . 0.0 113.829 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.41 52.13 54.51 Favored Glycine 0 C--O 1.21 -1.389 0 CA-C-N 118.903 1.352 . . . . 0.0 113.678 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -60.81 -20.32 61.35 Favored 'General case' 0 C--O 1.183 -2.395 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -171.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.315 0 O-C-N 118.365 -2.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.954 ' H1 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.211 -0.941 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.24 20.09 0.08 Allowed 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.734 2.814 . . . . 0.0 118.071 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.26 -21.45 59.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 119.06 -2.275 . . . . 0.0 115.441 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.99 -7.48 0.48 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.463 2.305 . . . . 0.0 114.473 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 7' ' ' ALA 0.264 . . -54.32 -89.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.239 2.616 . . . . 0.0 113.829 -177.427 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 36.29 0.39 Allowed 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.086 -1.634 . . . . 0.0 112.761 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 5' ' ' ALA . . . -116.3 -39.03 3.45 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 131.523 3.929 . . . . 0.0 111.185 168.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.03 -45.36 5.43 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 125.763 1.625 . . . . 0.0 110.993 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -60.62 -33.23 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 124.646 1.178 . . . . 0.0 111.088 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG3' ' H ' ' A' ' 11' ' ' ALA . 25.5 pttt -57.18 -56.69 18.48 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.849 0.749 . . . . 0.0 112.027 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 10' ' ' LYS . . . -52.24 -48.08 65.38 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.722 -2.035 . . . . 0.0 111.511 170.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -42.38 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.152 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -18.84 65.57 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 121.408 1.913 . . . . 0.0 113.986 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.16 -43.5 14.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.847 1.259 . . . . 0.0 112.446 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.09 -28.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 126.939 2.096 . . . . 0.0 109.259 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.78 -52.32 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 120.787 1.63 . . . . 0.0 110.819 170.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -65.29 -43.58 90.69 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.763 1.625 . . . . 0.0 113.514 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.21 -31.68 23.06 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 124.304 1.042 . . . . 0.0 112.827 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.06 -47.95 50.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 128.613 3.006 . . . . 0.0 110.983 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.59 36.09 3.62 Favored Glycine 0 C--O 1.203 -1.782 0 C-N-CA 126.396 1.951 . . . . 0.0 115.7 173.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -56.38 140.52 45.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 119.939 1.87 . . . . 0.0 111.62 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 120.468 -1.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.981 ' H2 ' ' CH3' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.204 -1.301 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.7 -23.58 18.18 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 1.17 ' HZ2' ' CE ' ' B' ' 25' ' ' LYS . 36.1 mtmt -61.9 -11.17 11.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -17.25 0.1 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.379 1.872 . . . . 0.0 114.18 160.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -63.32 -89.96 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 128.244 2.617 . . . . 0.0 113.783 -172.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.14 35.41 0.38 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 121.469 0.652 . . . . 0.0 111.727 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -110.1 -35.03 6.22 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 127.995 2.518 . . . . 0.0 112.231 160.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.73 -54.9 3.07 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.752 1.263 . . . . 0.0 112.087 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.79 -34.0 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 126.747 2.019 . . . . 0.0 112.871 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.471 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 8.5 ptmt -52.01 -61.58 2.17 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 123.303 1.525 . . . . 0.0 114.175 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.471 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -57.41 -45.26 84.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 112.662 -2.063 . . . . 0.0 110.586 171.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mm -68.23 -44.06 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.552 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.66 64.94 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 121.313 1.87 . . . . 0.0 114.573 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.97 -36.92 13.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.589 1.955 . . . . 0.0 112.694 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.66 -37.65 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 126.885 2.074 . . . . 0.0 110.65 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.38 -51.11 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 C-N-CA 123.114 0.566 . . . . 0.0 112.2 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.13 -42.07 69.08 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 125.083 1.353 . . . . 0.0 112.586 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.38 56.13 Favored 'General case' 0 C--O 1.2 -1.531 0 C-N-CA 126.556 1.942 . . . . 0.0 115.883 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.41 -17.59 54.79 Favored Glycine 0 C--O 1.213 -1.203 0 C-N-CA 128.108 2.766 . . . . 0.0 116.908 -165.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 118.181 0.99 . . . . 0.0 113.435 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -59.37 -24.51 63.47 Favored 'General case' 0 C--O 1.156 -3.865 0 C-N-CA 127.463 2.305 . . . . 0.0 115.531 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.273 -2.726 0 O-C-N 119.491 -2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.282 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.5 14.38 1.17 Allowed 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 128.726 2.81 . . . . 0.0 115.22 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . 0.467 ' C ' ' H ' ' C' ' 49' ' ' ALA . 71.0 mmtt -61.62 -17.12 53.95 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.49 2.316 . . . . 0.0 113.517 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -3.55 0.21 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 129.513 3.125 . . . . 0.0 114.548 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -67.81 -80.15 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.891 2.476 . . . . 0.0 114.196 -163.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -0.51 2.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.45 -64.92 1.08 Allowed 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.708 -1.245 . . . . 0.0 110.057 159.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.78 3.07 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 119.017 0.826 . . . . 0.0 112.247 -169.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -13.74 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 119.414 1.006 . . . . 0.0 111.545 -165.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.97 -40.11 12.56 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 127.037 2.135 . . . . 0.0 108.476 -165.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.51 -46.97 77.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 123.574 0.75 . . . . 0.0 110.929 160.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.6 -39.29 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 O-C-N 119.974 -1.703 . . . . 0.0 111.138 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.01 -23.98 66.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.62 -37.35 18.15 Favored 'General case' 0 C--O 1.21 -0.99 0 C-N-CA 125.512 1.525 . . . . 0.0 111.816 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.16 -34.16 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 O-C-N 119.965 -1.709 . . . . 0.0 111.186 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 124.865 1.266 . . . . 0.0 112.675 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.8 -38.74 92.22 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . 1.083 ' HB1' ' CA ' ' C' ' 62' ' ' ALA . . . -65.75 -31.55 72.6 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.117 1.767 . . . . 0.0 114.028 165.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.33 79.91 Favored Glycine 0 C--O 1.177 -3.425 0 C-N-CA 128.183 2.801 . . . . 0.0 115.921 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.97 20.16 79.85 Favored Glycine 0 C--N 1.298 -1.55 0 O-C-N 119.63 -2.1 . . . . 0.0 115.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -59.14 -22.53 61.05 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.559 2.344 . . . . 0.0 116.853 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.003 0 CA-C-N 119.396 0.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.966 ' H2 ' ' CH3' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.222 -0.348 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.82 16.32 0.21 Allowed 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 128.458 2.703 . . . . 0.0 116.263 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' D' ' 71' ' ' ALA . 46.8 mmtm -65.18 -14.93 61.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.78 1.05 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -81.63 5.93 16.68 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 127.279 2.232 . . . . 0.0 115.514 -165.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.45 -55.76 2.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 118.111 0.414 . . . . 0.0 110.592 154.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.83 75.62 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.678 1.991 . . . . 0.0 113.819 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.8 32.5 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 122.851 1.31 . . . . 0.0 110.839 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mm -67.62 -44.03 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.69 -1.257 . . . . 0.0 113.358 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.76 -31.16 71.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.407 1.483 . . . . 0.0 112.308 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.77 -64.19 0.99 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.529 0.681 . . . . 0.0 110.931 160.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.287 1.3 tt -69.42 -41.23 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 O-C-N 119.909 -1.745 . . . . 0.0 110.973 -164.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -22.46 66.97 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.37 -36.95 16.29 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 125.098 1.359 . . . . 0.0 111.643 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 125.238 1.415 . . . . 0.0 111.379 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mt -59.69 -50.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.093 1.757 . . . . 0.0 111.66 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -61.85 -30.19 70.68 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.05 33.21 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 125.848 1.659 . . . . 0.0 114.941 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.83 -22.64 27.69 Favored Glycine 0 C--O 1.179 -3.296 0 C-N-CA 128.463 2.935 . . . . 0.0 115.516 -163.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.51 37.03 89.51 Favored Glycine 0 C--O 1.196 -2.28 0 CA-C-N 119.326 1.563 . . . . 0.0 115.909 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -67.15 -16.73 64.5 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.162 -1.787 . . . . 0.0 114.55 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.425 0 O-C-N 117.974 -2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.14 -10.78 0.39 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.732 1.613 . . . . 0.0 113.656 163.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.64 -81.08 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.9 2.08 . . . . 0.0 113.906 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.22 2.85 2.54 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.18 -51.06 5.78 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 124.568 1.147 . . . . 0.0 112.934 161.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -65.9 0.64 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.506 1.122 . . . . 0.0 113.496 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.91 -24.41 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 123.156 0.582 . . . . 0.0 112.562 -168.575 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.1 tmtt? -76.1 -44.82 36.91 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.082 2.553 . . . . 0.0 109.647 -168.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.12 78.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.293 1.037 . . . . 0.0 112.561 162.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.03 -35.49 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.834 -171.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.38 -20.49 65.56 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.39 -41.83 13.29 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 124.507 1.123 . . . . 0.0 113.185 172.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.29 -33.69 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 129.422 3.089 . . . . 0.0 109.171 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.41 -58.69 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 C-N-CA 125.715 1.606 . . . . 0.0 111.713 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -56.26 -39.93 73.39 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.578 0.751 . . . . 0.0 112.887 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.83 60.71 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 125.779 1.632 . . . . 0.0 114.372 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.01 -22.21 78.2 Favored Glycine 0 C--O 1.202 -1.852 0 C-N-CA 126.732 2.111 . . . . 0.0 112.791 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.51 29.3 72.92 Favored Glycine 0 N--CA 1.432 -1.59 0 CA-C-N 118.673 1.237 . . . . 0.0 114.777 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.177 -2.714 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -170.838 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.95 -10.92 57.35 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -7.85 0.25 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 127.245 2.218 . . . . 0.0 114.761 163.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.145 0.978 . . . . 0.0 112.652 -169.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.73 13.93 0.32 Allowed 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.35 -62.72 1.45 Allowed 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 119.473 -2.017 . . . . 0.0 112.386 153.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -35.14 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 122.111 0.958 . . . . 0.0 111.624 -169.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.16 -41.63 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 C-N-CA 125.737 1.615 . . . . 0.0 111.937 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -64.0 -38.31 90.59 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 123.697 0.799 . . . . 0.0 112.743 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.41 -52.72 64.39 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.72 164.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 0.7 OUTLIER -64.02 -44.82 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 120.14 1.337 . . . . 0.0 112.483 -173.346 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.3 -16.21 64.14 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -33.93 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.386 1.874 . . . . 0.0 111.93 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.96 -32.14 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.841 1.656 . . . . 0.0 109.63 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' B' ' 43' ' ' TYR . 54.1 mt -59.26 -57.64 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 O-C-N 120.564 -1.335 . . . . 0.0 111.13 171.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -53.1 -44.64 67.77 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.566 1.546 . . . . 0.0 115.119 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.27 60.48 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.041 1.736 . . . . 0.0 113.701 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.55 -33.84 21.15 Favored Glycine 0 C--O 1.184 -2.969 0 C-N-CA 125.75 1.643 . . . . 0.0 113.786 -174.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.28 36.0 22.02 Favored Glycine 0 N--CA 1.42 -2.418 0 C-N-CA 127.553 2.502 . . . . 0.0 118.016 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' B' ' 38' ' ' ILE . 9.5 m-85 . . . . . 0 C--O 1.176 -2.804 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.066 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -55.67 -34.07 64.68 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 118.847 -2.408 . . . . 0.0 115.045 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.7 -12.69 1.97 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.467 1.907 . . . . 0.0 114.833 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.138 1.375 . . . . 0.0 112.225 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.67 32.9 0.13 Allowed 'General case' 0 C--O 1.197 -1.67 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.65 -27.62 4.69 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 131.539 3.935 . . . . 0.0 112.825 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.44 -49.31 3.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.675 1.59 . . . . 0.0 112.527 167.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.15 -34.31 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 124.298 1.039 . . . . 0.0 111.504 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' C' ' 55' ' ' ALA . 18.2 ptmt -55.27 -61.3 2.42 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.72 1.208 . . . . 0.0 113.64 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ALA . . . . . 0.651 ' H ' ' HG3' ' C' ' 54' ' ' LYS . . . -64.45 12.47 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.183 3.393 . . . . 0.0 115.427 166.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 mm -122.18 -50.07 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.949 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.87 -24.04 67.59 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 121.13 1.786 . . . . 0.0 113.676 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.37 -38.89 49.1 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.481 1.513 . . . . 0.0 113.116 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.4 -31.82 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.612 1.965 . . . . 0.0 110.89 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 mt -53.67 -51.56 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 O-C-N 120.018 -1.676 . . . . 0.0 110.873 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -61.26 -47.46 85.94 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 128.145 2.578 . . . . 0.0 111.445 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.56 71.4 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 125.875 1.67 . . . . 0.0 111.345 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.08 -35.86 89.67 Favored Glycine 0 C--O 1.198 -2.122 0 C-N-CA 130.433 3.873 . . . . 0.0 111.785 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.28 42.93 17.53 Favored Glycine 0 C--O 1.216 -0.974 0 C-N-CA 127.304 2.383 . . . . 0.0 113.704 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--O 1.175 -2.848 0 CA-C-O 123.71 1.719 . . . . 0.0 112.265 175.301 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.115 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -51.33 -51.48 53.99 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.037 1.735 . . . . 0.0 111.842 162.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.26 7.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.578 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.12 4.74 29.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.211 1.804 . . . . 0.0 115.134 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.39 -62.24 1.32 Allowed 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.987 -1.07 . . . . 0.0 110.109 150.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.23 65.64 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.389 1.876 . . . . 0.0 115.228 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -40.06 46.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.697 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -69.42 -44.25 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.398 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.13 -29.41 65.21 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.612 1.565 . . . . 0.0 114.284 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -64.58 0.9 Allowed 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.879 156.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.84 -39.79 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 118.43 -2.668 . . . . 0.0 112.064 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.68 -12.64 61.43 Favored 'General case' 0 C--O 1.196 -1.745 0 O-C-N 120.028 -1.67 . . . . 0.0 113.979 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.08 -35.65 10.35 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 119.573 -1.954 . . . . 0.0 113.464 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 81' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' C' ' 52' ' ' ALA . 83.8 mt -70.93 -27.58 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.45 1.5 . . . . 0.0 109.294 174.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.25 -50.32 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 120.853 1.661 . . . . 0.0 111.992 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -53.93 -36.22 62.53 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.84 -42.43 14.15 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 125.323 1.449 . . . . 0.0 112.591 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.7 77.2 Favored Glycine 0 C--O 1.197 -2.186 0 C-N-CA 127.954 2.693 . . . . 0.0 115.063 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.66 32.62 57.13 Favored Glycine 0 C--O 1.182 -3.118 0 C-N-CA 125.21 1.386 . . . . 0.0 115.851 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--N 1.29 -1.996 0 C-N-CA 127.951 2.5 . . . . 0.0 117.024 177.071 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.33 1.03 0.09 Allowed 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.061 2.145 . . . . 0.0 116.387 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.46 9.46 23.56 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 -160.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.88 -54.21 2.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.477 -1.39 . . . . 0.0 111.877 151.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.89 68.54 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 127.185 2.194 . . . . 0.0 113.47 -167.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.01 -40.27 15.98 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 119.494 1.043 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.47 -44.92 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.442 1.497 . . . . 0.0 112.502 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -65.22 -38.77 91.46 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.092 2.157 . . . . 0.0 110.27 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.25 5.38 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 118.745 0.702 . . . . 0.0 111.417 162.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -45.79 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.191 1.396 . . . . 0.0 113.357 -168.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.77 67.49 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.971 1.714 . . . . 0.0 113.987 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.61 -39.09 16.47 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.964 1.306 . . . . 0.0 112.34 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.76 -33.51 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 125.847 1.659 . . . . 0.0 109.593 172.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.21 -57.94 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 119.838 1.199 . . . . 0.0 112.13 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.65 32.04 Favored 'General case' 0 C--O 1.212 -0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 112.052 174.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.4 25.99 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.478 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.28 -39.18 44.41 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 128.28 2.848 . . . . 0.0 113.69 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 27.36 29.24 Favored Glycine 0 C--O 1.195 -2.323 0 C-N-CA 126.648 2.071 . . . . 0.0 114.06 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.179 -2.612 0 C-N-CA 126.272 1.829 . . . . 0.0 114.9 177.608 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.052 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -61.67 -16.08 45.74 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 167.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.61 -13.27 0.93 Allowed 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 125.488 1.515 . . . . 0.0 114.951 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -60.3 -92.99 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 129.402 3.081 . . . . 0.0 113.085 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.62 33.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.599 1.16 . . . . 0.0 112.588 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -112.83 -37.11 4.95 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 129.632 3.173 . . . . 0.0 111.934 166.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.87 -56.78 2.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 124.582 1.153 . . . . 0.0 111.313 172.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mm -52.68 -29.66 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 C-N-CA 126.26 1.824 . . . . 0.0 113.499 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.645 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 37.7 pttt -60.72 -60.7 3.38 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 123.687 1.708 . . . . 0.0 114.113 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.645 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -53.98 -48.07 70.73 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.623 -2.081 . . . . 0.0 111.467 167.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mm -67.66 -41.32 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 124.572 1.149 . . . . 0.0 110.948 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.22 66.31 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 121.359 1.89 . . . . 0.0 114.965 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.39 -38.03 16.53 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 126.966 2.106 . . . . 0.0 113.166 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.87 -34.94 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.476 2.311 . . . . 0.0 109.34 173.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 22.3 mt -64.54 -51.7 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 124.807 1.243 . . . . 0.0 111.256 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -56.69 -42.27 78.79 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 123.688 0.795 . . . . 0.0 113.138 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.69 68.26 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.21 2.204 . . . . 0.0 112.531 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.69 -15.1 81.5 Favored Glycine 0 C--O 1.218 -0.848 0 C-N-CA 127.786 2.613 . . . . 0.0 116.817 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.49 77.7 Favored Glycine 0 C--O 1.211 -1.293 0 O-C-N 120.857 -1.378 . . . . 0.0 115.102 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 C--O 1.2 -1.533 0 C-N-CA 127.504 2.322 . . . . 0.0 113.433 173.503 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.82 0 N-CA-C 115.448 1.648 . . . . 0.0 115.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.79 -13.98 57.38 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -4.58 0.53 Allowed 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.338 1.855 . . . . 0.0 114.816 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -71.17 0.36 Allowed 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.725 1.61 . . . . 0.0 115.201 -167.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.47 -2.01 15.22 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.655 1.982 . . . . 0.0 115.957 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.66 -55.43 4.12 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.175 -0.953 . . . . 0.0 110.111 159.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.69 -69.54 0.24 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 126.466 1.906 . . . . 0.0 113.61 -173.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.432 HD13 ' N ' ' C' ' 54' ' ' LYS . 0.0 OUTLIER -67.65 -18.89 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 O-C-N 120.692 -1.255 . . . . 0.0 112.257 -166.108 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 54' ' ' LYS . . . . . 0.432 ' N ' HD13 ' C' ' 53' ' ' ILE . 2.3 tmtp? -78.16 -40.7 37.09 Favored 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 127.766 2.427 . . . . 0.0 110.215 -171.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.07 95.52 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.467 -0.771 . . . . 0.0 112.98 161.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.15 -27.24 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.466 -166.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.4 65.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.168 -2.207 . . . . 0.0 113.397 167.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.69 -40.01 23.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.597 1.559 . . . . 0.0 113.054 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 mt -67.62 -28.17 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 126.38 1.872 . . . . 0.0 111.187 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' C' ' 65' ' ' TYR . 11.4 mt -61.51 -53.27 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.146 -1.596 . . . . 0.0 110.011 172.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.75 -41.84 99.39 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.805 1.642 . . . . 0.0 111.599 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.44 57.67 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 125.589 1.555 . . . . 0.0 113.861 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.59 -33.66 55.47 Favored Glycine 0 C--O 1.193 -2.463 0 C-N-CA 129.375 3.369 . . . . 0.0 112.815 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.15 25.42 34.01 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-N 119.505 1.652 . . . . 0.0 113.161 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' C' ' 60' ' ' ILE . 11.4 m-85 . . . . . 0 C--O 1.187 -2.209 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.539 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -77.67 -43.22 31.97 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 129.212 3.005 . . . . 0.0 112.689 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.83 -34.59 5.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.217 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.55 5.65 23.35 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.048 1.739 . . . . 0.0 114.559 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.97 -56.85 2.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.925 -0.56 . . . . 0.0 111.871 149.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.83 -40.62 60.81 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 127.54 2.336 . . . . 0.0 113.928 -170.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.72 22.56 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 123.582 1.658 . . . . 0.0 112.974 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.17 -42.83 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.202 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -62.01 -34.69 76.66 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 124.497 1.119 . . . . 0.0 111.885 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.72 -60.44 3.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.4 1.08 . . . . 0.0 109.312 165.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.298 1.5 tt -62.27 -45.75 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 O-C-N 120.626 -1.296 . . . . 0.0 111.696 -169.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.62 -16.75 63.44 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.97 -44.03 11.92 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 125.125 1.37 . . . . 0.0 110.761 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.43 -34.02 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 C-N-CA 126.855 2.062 . . . . 0.0 111.036 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 60.0 mt -62.1 -48.48 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.41 1.484 . . . . 0.0 110.803 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -65.11 -46.51 80.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 126.585 1.954 . . . . 0.0 112.443 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -39.28 51.97 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.424 1.89 . . . . 0.0 113.103 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.65 80.42 Favored Glycine 0 C--O 1.212 -1.247 0 C-N-CA 125.8 1.667 . . . . 0.0 112.957 169.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.02 8.36 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 126.58 2.038 . . . . 0.0 112.842 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 87' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 37.6 m-85 . . . . . 0 C--O 1.205 -1.244 0 CA-C-N 119.158 1.479 . . . . 0.0 111.858 174.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.59 -11.48 1.35 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 126.995 2.118 . . . . 0.0 114.092 167.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.57 -87.19 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.871 1.668 . . . . 0.0 113.416 -167.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.44 1.29 Allowed 'General case' 0 N--CA 1.437 -1.092 0 O-C-N 119.559 -1.963 . . . . 0.0 115.214 -167.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.16 -44.32 9.32 Favored 'General case' 0 C--O 1.184 -2.394 0 C-N-CA 125.781 1.633 . . . . 0.0 111.633 164.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.0 -37.89 12.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 118.698 -2.502 . . . . 0.0 110.458 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.97 -39.35 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 124.896 1.278 . . . . 0.0 110.919 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -53.9 -51.02 65.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 119.575 1.08 . . . . 0.0 113.097 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.33 6.46 0.78 Allowed 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.233 2.213 . . . . 0.0 115.953 172.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -109.64 -61.99 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.416 2.286 . . . . 0.0 110.774 156.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -33.39 64.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 123.754 2.979 . . . . 0.0 113.733 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.08 76.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.339 1.456 . . . . 0.0 113.072 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.648 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -70.82 -34.43 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.645 1.978 . . . . 0.0 110.872 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.6 mt -51.86 -46.82 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-N 121.344 1.884 . . . . 0.0 110.948 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -75.22 -44.69 44.84 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.331 1.452 . . . . 0.0 113.859 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.65 -43.04 17.42 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.72 -36.28 93.09 Favored Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 125.713 1.625 . . . . 0.0 112.849 163.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 62.35 3.35 Favored Glycine 0 C--O 1.213 -1.181 0 C-N-CA 127.04 2.257 . . . . 0.0 112.315 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.428 -1.557 0 CA-C-N 120.172 1.986 . . . . 0.0 115.424 -175.024 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.49 -15.66 7.63 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.51 -13.42 0.37 Allowed 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 127.391 2.277 . . . . 0.0 112.876 165.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.034 2.534 . . . . 0.0 110.446 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.17 -26.98 68.08 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.04 -12.21 60.4 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.648 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -104.53 -69.22 0.82 Allowed 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.282 -1.512 . . . . 0.0 110.106 150.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 mm -58.78 -27.74 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 127.456 2.302 . . . . 0.0 113.631 -157.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.55 32.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.799 -1.188 . . . . 0.0 111.793 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.75 85.99 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.049 1.34 . . . . 0.0 110.915 163.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -38.98 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 120.249 -1.532 . . . . 0.0 110.925 -168.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.65 64.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 120.938 1.699 . . . . 0.0 113.386 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.03 -39.44 12.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.36 1.864 . . . . 0.0 113.279 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.44 -31.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.661 1.985 . . . . 0.0 110.371 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.77 -53.45 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 O-C-N 120.213 -1.554 . . . . 0.0 111.383 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.42 -35.53 72.21 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.965 2.106 . . . . 0.0 113.106 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.38 -29.67 33.91 Favored 'General case' 0 C--O 1.205 -1.281 0 C-N-CA 124.879 1.271 . . . . 0.0 113.68 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.28 56.9 Favored Glycine 0 C--O 1.214 -1.097 0 C-N-CA 127.957 2.694 . . . . 0.0 111.438 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 29.35 24.47 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 126.181 1.848 . . . . 0.0 114.119 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--O 1.19 -2.036 0 C-N-CA 127.939 2.496 . . . . 0.0 114.531 -171.775 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -62.09 -17.26 57.08 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 126.235 1.814 . . . . 0.0 114.694 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -11.79 0.65 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.866 2.067 . . . . 0.0 114.219 167.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.79 -87.79 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.414 2.286 . . . . 0.0 110.672 -165.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.543 -1.348 . . . . 0.0 113.878 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.1 55.91 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 115.115 175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.48 -61.48 1.42 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.322 1.419 . . . . 0.0 110.345 156.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mm -65.72 -27.56 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.546 1.538 . . . . 0.0 112.204 -158.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -72.48 -40.01 67.27 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 121.214 -0.929 . . . . 0.0 112.61 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -39.87 80.55 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 123.735 0.647 . . . . 0.0 111.896 165.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' ILE . . . . . 0.404 HD12 ' HB1' ' C' ' 52' ' ' ALA 0.262 46.6 mt -79.1 -33.36 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-O 117.59 -1.195 . . . . 0.0 110.344 -166.237 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.82 -18.36 64.04 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 121.663 2.029 . . . . 0.0 114.217 171.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.37 -36.99 14.3 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 126.807 2.043 . . . . 0.0 113.152 171.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 22.0 mt -64.48 -35.38 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.748 2.019 . . . . 0.0 111.238 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 14.4 mt -57.32 -52.71 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.284 -2.135 . . . . 0.0 111.553 171.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -59.4 -38.14 79.8 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 125.654 1.582 . . . . 0.0 113.229 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.7 -35.72 60.21 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 113.778 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.84 -25.56 71.47 Favored Glycine 0 C--O 1.214 -1.101 0 C-N-CA 126.865 2.174 . . . . 0.0 113.976 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.49 41.94 35.0 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 118.592 1.196 . . . . 0.0 114.2 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.185 -2.329 0 C-N-CA 127.403 2.281 . . . . 0.0 113.264 175.91 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -57.95 -43.3 86.3 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 124.896 1.278 . . . . 0.0 112.148 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -8.99 29.43 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.49 2.716 . . . . 0.0 114.528 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.82 12.25 15.61 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -156.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 -58.13 2.1 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 153.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.36 79.63 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 118.606 -2.559 . . . . 0.0 114.67 -166.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.0 44.66 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 121.417 0.627 . . . . 0.0 112.154 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 43.6 mm -69.18 -38.76 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.588 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.27 -30.43 64.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.685 1.194 . . . . 0.0 112.16 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -62.11 2.13 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 125.615 1.822 . . . . 0.0 111.462 159.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 tt -67.81 -41.91 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.87 -167.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.31 -18.06 65.13 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 120.769 1.622 . . . . 0.0 114.18 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.86 -44.1 11.33 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.347 1.459 . . . . 0.0 111.981 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 81' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' C' ' 52' ' ' ALA . 63.0 mt -64.71 -30.52 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 126.422 1.889 . . . . 0.0 110.418 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.22 -52.41 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 O-C-N 121.301 -0.874 . . . . 0.0 110.394 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -61.72 -45.81 92.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.0 66.91 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.95 -35.96 53.03 Favored Glycine 0 C--O 1.212 -1.224 0 C-N-CA 127.915 2.674 . . . . 0.0 112.097 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.21 5.73 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 124.971 1.272 . . . . 0.0 114.192 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.173 -2.921 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.302 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm . . . . . 0 C--O 1.203 -1.374 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.53 -8.51 6.45 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.904 2.081 . . . . 0.0 113.537 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.289 . . -63.8 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.531 -169.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.13 62.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 120.841 1.655 . . . . 0.0 114.232 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.5 53.86 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -101.82 -65.49 0.98 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.496 0.665 . . . . 0.0 111.541 156.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mm -59.45 -30.14 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 124.367 1.067 . . . . 0.0 113.724 -160.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -42.04 63.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 123.368 0.667 . . . . 0.0 111.932 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.13 83.42 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.727 0.811 . . . . 0.0 111.17 166.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.68 -40.75 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 119.716 1.143 . . . . 0.0 110.711 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.77 -19.81 66.03 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 120.804 1.638 . . . . 0.0 114.573 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.79 -41.3 19.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.385 1.074 . . . . 0.0 112.532 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mt -67.43 -26.81 36.72 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 C-N-CA 127.497 2.319 . . . . 0.0 110.748 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.72 -50.72 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 O-C-N 120.287 -1.508 . . . . 0.0 111.976 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -62.95 -48.1 80.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.936 1.295 . . . . 0.0 113.556 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.99 -36.14 62.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.471 1.109 . . . . 0.0 113.434 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.87 97.12 Favored Glycine 0 C--O 1.211 -1.297 0 C-N-CA 126.164 1.84 . . . . 0.0 112.298 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.07 43.39 3.82 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 125.522 1.534 . . . . 0.0 113.622 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--O 1.206 -1.221 0 C-N-CA 125.555 1.542 . . . . 0.0 114.956 -178.665 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.396 -3.155 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -67.62 -11.41 58.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.39 -18.6 0.41 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 161.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.39 -86.98 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.899 1.679 . . . . 0.0 111.434 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.11 8.17 0.81 Allowed 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 -48.13 6.49 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 118.883 -2.386 . . . . 0.0 113.103 164.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.69 -37.15 15.76 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.782 -1.199 . . . . 0.0 111.072 -175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mm -60.4 -42.38 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -56.08 -49.38 73.96 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 123.338 0.655 . . . . 0.0 112.517 172.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.32 -0.06 4.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 171.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.277 0.3 OUTLIER -106.83 -57.1 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 126.685 1.994 . . . . 0.0 112.98 164.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.14 72.16 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 123.395 2.816 . . . . 0.0 113.775 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.3 86.81 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.535 1.134 . . . . 0.0 111.89 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.728 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.8 mp -74.24 -32.76 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 128.132 2.573 . . . . 0.0 110.249 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.56 -49.72 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 121.024 1.738 . . . . 0.0 110.163 170.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -72.67 -46.47 53.69 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.701 1.601 . . . . 0.0 112.28 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 -39.55 31.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 120.561 -1.337 . . . . 0.0 112.627 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 -43.7 92.75 Favored Glycine 0 C--O 1.197 -2.213 0 C-N-CA 125.08 1.324 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.84 51.53 2.82 Favored Glycine 0 C--O 1.208 -1.511 0 C-N-CA 125.905 1.717 . . . . 0.0 115.319 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 . . . . . 0 C--O 1.17 -3.126 0 O-C-N 120.31 -1.7 . . . . 0.0 114.554 176.28 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.58 -9.61 6.32 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.348 1.859 . . . . 0.0 115.771 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.44 -11.05 0.17 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.581 1.952 . . . . 0.0 114.873 158.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.72 -79.44 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.678 2.391 . . . . 0.0 111.718 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.9 11.3 1.45 Allowed 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 119.902 -1.749 . . . . 0.0 114.391 -170.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.85 -55.45 3.63 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.465 1.906 . . . . 0.0 111.626 158.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.41 18.32 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.009 0.923 . . . . 0.0 111.283 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 124.7 1.2 . . . . 0.0 111.959 171.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.94 -40.35 97.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.2 49.66 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.109 0.964 . . . . 0.0 112.467 163.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -41.42 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 118.748 -2.47 . . . . 0.0 112.02 -171.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.36 -21.8 66.24 Favored 'General case' 0 C--O 1.21 -1.012 0 O-C-N 119.942 -1.724 . . . . 0.0 113.0 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.55 -41.74 13.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.849 -1.157 . . . . 0.0 112.963 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 52.8 mt -62.35 -32.73 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.807 1.643 . . . . 0.0 111.459 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.78 -50.82 78.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 O-C-N 120.443 -1.41 . . . . 0.0 110.0 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.75 -40.29 83.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.063 1.745 . . . . 0.0 113.746 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.08 -38.11 61.38 Favored 'General case' 0 C--O 1.194 -1.821 0 C-N-CA 125.501 1.52 . . . . 0.0 114.015 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.28 90.96 Favored Glycine 0 C--O 1.211 -1.318 0 C-N-CA 127.797 2.617 . . . . 0.0 113.483 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.38 32.27 20.07 Favored Glycine 0 C--O 1.2 -2.03 0 C-N-CA 125.557 1.551 . . . . 0.0 113.597 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.176 -2.783 0 C-N-CA 130.197 3.399 . . . . 0.0 115.074 -170.029 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.2 -8.66 2.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -1.85 0.17 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.717 1.607 . . . . 0.0 114.657 165.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.29 1.67 13.07 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -167.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.36 -34.25 5.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 120.268 -1.52 . . . . 0.0 111.041 154.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -11.14 30.74 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.638 1.975 . . . . 0.0 115.854 -175.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.53 -54.87 2.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 119.672 1.124 . . . . 0.0 112.542 152.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.35 -33.05 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 125.316 1.447 . . . . 0.0 113.832 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -73.33 -35.95 66.11 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 112.06 -173.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.82 73.41 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.548 0.69 . . . . 0.0 111.798 161.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.86 -38.47 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 O-C-N 119.705 -1.872 . . . . 0.0 112.35 -166.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.96 62.28 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 120.267 -1.521 . . . . 0.0 114.603 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.64 -38.92 11.09 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.935 2.094 . . . . 0.0 110.829 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.48 -36.69 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.703 2.401 . . . . 0.0 110.03 172.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt -59.75 -51.9 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 124.288 1.035 . . . . 0.0 112.045 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -55.86 -41.76 74.84 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.901 1.281 . . . . 0.0 112.767 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.58 -31.8 60.11 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.545 1.938 . . . . 0.0 113.102 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.18 45.55 Favored Glycine 0 C--O 1.191 -2.542 0 C-N-CA 128.814 3.102 . . . . 0.0 111.78 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 14.65 31.78 Favored Glycine 0 N--CA 1.421 -2.307 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 1 C--O 1.138 -4.776 0 C-N-CA 125.28 1.432 . . . . 0.0 111.741 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 N--CA 1.44 -0.975 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.85 24.67 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.988 2.515 . . . . 0.0 113.709 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.286 . . -65.59 -82.34 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.923 1.689 . . . . 0.0 112.043 -165.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -61.13 -14.05 21.79 Favored 'General case' 1 C--O 1.133 -5.052 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 178.513 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -20.9 61.03 Favored 'General case' 1 C--O 1.152 -4.07 0 O-C-N 118.327 -2.733 . . . . 0.0 113.295 169.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.3 -49.98 2.93 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 122.637 2.471 . . . . 0.0 112.015 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -65.79 -34.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 C-N-CA 125.098 1.359 . . . . 0.0 112.537 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 9.7 tmtt? -71.68 -35.14 70.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.832 0.742 . . . . 0.0 110.694 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -55.15 31.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.579 1.552 . . . . 0.0 111.508 161.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.21 -40.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 120.787 -1.195 . . . . 0.0 110.718 -165.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.25 64.8 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.81 -40.76 12.93 Favored 'General case' 0 C--O 1.203 -1.359 0 C-N-CA 124.402 1.081 . . . . 0.0 112.757 168.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' B' ' 30' ' ' ALA . 60.0 mt -67.16 -30.53 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 C-N-CA 127.285 2.234 . . . . 0.0 112.486 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 37.3 mt -56.91 -46.6 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.091 -2.256 . . . . 0.0 111.599 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -73.78 -41.68 62.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.853 1.661 . . . . 0.0 112.99 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.33 -43.43 12.89 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.32 99.17 Favored Glycine 0 C--O 1.205 -1.709 0 C-N-CA 128.033 2.73 . . . . 0.0 110.361 166.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.1 53.33 2.54 Favored Glycine 0 C--O 1.187 -2.838 0 C-N-CA 126.818 2.152 . . . . 0.0 114.622 167.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 76.2 m-85 . . . . . 0 C--O 1.191 -1.985 0 CA-C-N 118.809 1.305 . . . . 0.0 111.87 166.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.893 0 N-CA-C 116.871 2.175 . . . . 0.0 116.871 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.0 -20.26 66.41 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 121.825 2.102 . . . . 0.0 112.94 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.34 -9.78 1.73 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.313 1.445 . . . . 0.0 112.924 -170.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.21 23.06 0.09 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.955 1.302 . . . . 0.0 113.622 -170.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.59 -22.24 10.39 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 131.752 4.021 . . . . 0.0 112.776 169.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -109.55 -55.57 2.41 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 125.203 1.401 . . . . 0.0 110.439 171.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -48.41 -36.59 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 128.142 2.577 . . . . 0.0 111.181 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 17.8 ptmt -50.96 -61.49 2.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.628 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -67.71 11.53 0.13 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 130.443 3.497 . . . . 0.0 114.11 170.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.69 -53.3 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 116.851 -1.547 . . . . 0.0 109.776 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.58 68.47 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 123.597 2.908 . . . . 0.0 115.221 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.82 68.96 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 125.2 1.4 . . . . 0.0 112.106 169.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.65 -35.12 59.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 128.056 2.542 . . . . 0.0 111.288 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.37 -54.12 24.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 120.493 -1.379 . . . . 0.0 111.765 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -57.86 -42.73 85.13 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 124.177 0.991 . . . . 0.0 113.652 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.7 -35.27 62.73 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.72 63.17 Favored Glycine 0 C--O 1.198 -2.148 0 C-N-CA 128.59 2.995 . . . . 0.0 114.37 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.27 39.09 9.36 Favored Glycine 0 C--O 1.198 -2.134 0 CA-C-N 119.585 1.693 . . . . 0.0 115.047 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.181 -2.503 0 C-N-CA 126.328 1.851 . . . . 0.0 115.56 175.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.23 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.73 -29.19 64.55 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 120.76 1.618 . . . . 0.0 112.796 163.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.96 -5.46 9.5 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.917 2.087 . . . . 0.0 114.432 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . 0.299 . . -64.6 -87.86 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.115 1.766 . . . . 0.0 112.686 -164.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.91 -22.53 65.66 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.99 -4.33 16.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 115.413 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -122.21 -57.59 1.76 Allowed 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.866 0.866 . . . . 0.0 111.222 162.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.56 -26.21 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 112.461 -167.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -37.01 57.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.243 -1.535 . . . . 0.0 111.696 -174.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.43 78.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 162.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -69.31 -37.96 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 118.175 -0.916 . . . . 0.0 108.674 -170.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.73 63.64 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 121.245 1.839 . . . . 0.0 115.661 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.27 -40.77 10.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 111.07 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.2 -34.37 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 C-N-CA 128.563 2.745 . . . . 0.0 108.908 168.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -51.2 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 120.148 1.34 . . . . 0.0 111.504 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -59.12 -38.47 79.67 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 126.907 2.083 . . . . 0.0 112.253 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.08 70.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 125.942 1.697 . . . . 0.0 113.432 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.55 -24.94 73.95 Favored Glycine 0 C--O 1.205 -1.676 0 C-N-CA 128.542 2.972 . . . . 0.0 115.02 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 18.34 71.69 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 116.658 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' TYR . . . . . 0.421 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 6.0 m-85 . . . . . 0 C--O 1.179 -2.608 0 C-N-CA 127.714 2.406 . . . . 0.0 115.972 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.675 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.92 -42.08 27.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.675 1.59 . . . . 0.0 113.833 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 70' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -44.71 -37.24 3.59 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 127.16 2.184 . . . . 0.0 111.295 162.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.43 5.51 17.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.317 1.847 . . . . 0.0 113.724 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.58 -52.65 2.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 119.365 -2.084 . . . . 0.0 112.668 147.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.47 56.45 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 127.816 2.446 . . . . 0.0 115.073 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.31 -45.21 10.22 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-O 123.018 1.39 . . . . 0.0 111.636 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 37.6 mm -55.46 -45.22 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 C-N-CA 124.96 1.304 . . . . 0.0 113.88 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -62.89 -37.61 87.6 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.527 1.531 . . . . 0.0 113.905 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.25 27.42 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.806 0.691 . . . . 0.0 110.139 163.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -42.9 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 119.831 -1.793 . . . . 0.0 112.727 -167.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -14.1 62.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.7 -38.63 11.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.571 1.549 . . . . 0.0 112.17 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 81' ' ' ILE . . . . . 0.432 HG21 ' HB2' ' C' ' 52' ' ' ALA . 66.1 mt -68.2 -32.51 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 126.419 1.888 . . . . 0.0 109.818 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -57.71 -50.16 78.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 120.526 1.512 . . . . 0.0 111.9 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -67.15 -34.58 77.88 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.246 2.218 . . . . 0.0 114.535 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.68 -41.55 26.61 Favored 'General case' 0 C--O 1.195 -1.804 0 C-N-CA 125.94 1.696 . . . . 0.0 113.773 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.78 -34.18 88.03 Favored Glycine 0 C--O 1.21 -1.35 0 C-N-CA 127.166 2.317 . . . . 0.0 113.958 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.63 39.84 39.84 Favored Glycine 0 C--O 1.203 -1.788 0 C-N-CA 127.104 2.287 . . . . 0.0 113.052 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.193 -1.91 0 C-N-CA 128.415 2.686 . . . . 0.0 115.761 -175.001 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--O 1.206 -1.21 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -18.3 6.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 124.775 1.23 . . . . 0.0 113.472 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.89 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 124.703 1.201 . . . . 0.0 111.153 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.98 9.68 0.37 Allowed 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.182 -1.574 . . . . 0.0 114.85 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.76 -58.0 2.98 Favored 'General case' 0 C--O 1.207 -1.136 0 O-C-N 120.631 -1.293 . . . . 0.0 112.204 156.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 -41.74 14.2 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.341 -2.1 . . . . 0.0 110.772 -168.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.52 -44.16 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.408 1.483 . . . . 0.0 111.951 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.86 -40.51 95.6 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.39 78.22 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 111.698 166.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.42 HD12 HG13 ' B' ' 34' ' ' ILE 0.292 0.4 OUTLIER -64.09 -44.04 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 O-C-N 119.647 -1.908 . . . . 0.0 110.239 -174.031 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.09 -20.33 65.87 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.236 -2.165 . . . . 0.0 114.034 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.53 -40.74 17.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 124.649 1.18 . . . . 0.0 113.01 170.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.25 -32.62 59.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 125.44 1.496 . . . . 0.0 112.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.1 mt -60.27 -54.76 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.766 1.626 . . . . 0.0 111.989 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -54.59 -39.72 68.13 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 127.361 2.264 . . . . 0.0 113.243 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.13 -25.01 32.33 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.04 -25.43 52.27 Favored Glycine 0 C--O 1.196 -2.223 0 C-N-CA 129.116 3.246 . . . . 0.0 116.305 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.04 53.42 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 118.745 1.272 . . . . 0.0 114.434 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.181 -2.511 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 177.402 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.524 0 N-CA-C 118.669 2.841 . . . . 0.0 118.669 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -70.46 -12.05 61.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 121.301 1.864 . . . . 0.0 114.691 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.59 -4.99 0.48 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 127.753 2.421 . . . . 0.0 113.683 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -84.45 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.87 2.468 . . . . 0.0 113.696 -172.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.98 13.31 0.89 Allowed 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.838 -1.164 . . . . 0.0 112.083 -174.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.85 -1.74 33.95 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 119.446 -2.034 . . . . 0.0 113.966 164.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.4 -43.06 1.04 Allowed 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 164.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -31.15 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 120.709 -1.244 . . . . 0.0 111.391 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -71.09 -38.7 72.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.911 1.232 . . . . 0.0 111.817 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.85 79.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 123.127 0.571 . . . . 0.0 111.712 165.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.42 HG13 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.52 -45.2 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 117.69 -1.148 . . . . 0.0 111.072 -172.649 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . 0.251 . . -69.91 -1.75 10.44 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 121.33 1.877 . . . . 0.0 114.905 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.38 -41.14 7.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 127.367 2.267 . . . . 0.0 112.627 165.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.6 -26.46 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 126.728 2.011 . . . . 0.0 112.107 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CD1' ' B' ' 43' ' ' TYR . 4.6 mm -53.26 -64.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 126.314 1.846 . . . . 0.0 110.062 165.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.41 -42.31 95.69 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 126.918 2.087 . . . . 0.0 113.53 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.51 -32.33 25.97 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.689 1.596 . . . . 0.0 113.066 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -30.16 76.48 Favored Glycine 0 C--O 1.202 -1.879 0 C-N-CA 127.345 2.402 . . . . 0.0 112.729 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.08 47.75 22.79 Favored Glycine 0 C--O 1.202 -1.883 0 CA-C-N 119.502 1.651 . . . . 0.0 112.227 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 2.0 m-85 . . . . . 1 C--O 1.148 -4.247 0 C-N-CA 127.15 2.18 . . . . 0.0 116.727 -174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.53 -12.5 6.54 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.884 1.673 . . . . 0.0 114.89 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.89 -9.13 0.21 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.688 1.595 . . . . 0.0 115.128 162.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.03 -87.35 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.428 3.091 . . . . 0.0 112.478 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.12 68.47 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.32 -13.27 17.99 Favored 'General case' 0 C--O 1.19 -2.069 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -109.19 -61.14 1.67 Allowed 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 126.163 1.785 . . . . 0.0 110.574 157.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 35.4 mm -60.8 -27.62 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 114.183 -163.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.03 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.368 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.13 94.82 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.879 0.872 . . . . 0.0 111.968 162.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -77.87 -37.09 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.37 -164.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -22.12 66.78 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 121.146 1.794 . . . . 0.0 113.057 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.39 -40.2 18.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.307 1.843 . . . . 0.0 112.607 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.41 -32.16 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 125.291 1.437 . . . . 0.0 111.992 171.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.23 -51.09 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.971 1.308 . . . . 0.0 111.198 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.89 -40.81 73.52 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 125.666 1.586 . . . . 0.0 112.274 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.26 63.25 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 124.566 1.147 . . . . 0.0 112.73 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.13 72.14 Favored Glycine 0 C--O 1.17 -3.894 0 C-N-CA 128.984 3.183 . . . . 0.0 116.503 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.54 22.63 69.53 Favored Glycine 0 C--N 1.301 -1.368 0 CA-C-N 121.668 2.734 . . . . 0.0 116.238 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--O 1.201 -1.45 0 C-N-CA 128.082 2.553 . . . . 0.0 115.627 176.314 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.549 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -67.4 -23.86 65.61 Favored 'General case' 0 N--CA 1.44 -0.975 0 O-C-N 118.769 -2.457 . . . . 0.0 112.461 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -3.84 0.16 Allowed 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.45 9.92 12.14 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -163.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.1 -51.94 2.8 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 118.061 0.392 . . . . 0.0 111.223 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.19 94.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.326 1.451 . . . . 0.0 114.771 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.44 -41.22 56.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.68 0.752 . . . . 0.0 110.668 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.59 -39.97 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 124.894 1.278 . . . . 0.0 111.997 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -63.18 -39.45 94.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.402 1.881 . . . . 0.0 112.736 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.93 0.892 . . . . 0.0 110.285 163.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -43.43 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 O-C-N 120.668 -1.27 . . . . 0.0 112.747 -167.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.38 68.0 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 121.619 2.009 . . . . 0.0 113.761 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.57 30.79 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 120.364 -1.46 . . . . 0.0 112.55 171.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 81' ' ' ILE . . . . . 0.741 HG21 ' HB2' ' C' ' 52' ' ' ALA . 59.8 mt -66.93 -36.29 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 127.09 2.156 . . . . 0.0 111.088 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mt -52.5 -50.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 120.891 -1.131 . . . . 0.0 111.347 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -70.3 -40.89 73.96 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 113.46 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.65 59.45 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.407 1.483 . . . . 0.0 112.215 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.54 64.81 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 128.527 2.965 . . . . 0.0 113.83 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.84 43.28 10.14 Favored Glycine 0 C--O 1.193 -2.435 0 C-N-CA 125.153 1.358 . . . . 0.0 114.101 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.179 -2.607 0 C-N-CA 126.067 1.747 . . . . 0.0 115.034 -175.061 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -5.23 0.21 Allowed 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 120.439 -1.413 . . . . 0.0 114.588 159.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.35 -84.12 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.154 2.181 . . . . 0.0 112.573 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.55 68.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.48 1.037 . . . . 0.0 113.767 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.11 65.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 120.416 -1.428 . . . . 0.0 114.531 173.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.3 -63.16 1.2 Allowed 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.789 0.835 . . . . 0.0 112.178 165.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.36 -30.44 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.979 2.512 . . . . 0.0 113.758 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.27 -37.55 60.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.85 80.75 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 160.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.73 -37.36 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 120.771 -1.206 . . . . 0.0 111.587 -167.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.92 63.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 172.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.44 -30.64 12.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.178 1.391 . . . . 0.0 111.795 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.35 -36.94 78.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 C-N-CA 128.188 2.595 . . . . 0.0 109.251 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 7.2 mt -55.14 -53.92 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 120.041 1.292 . . . . 0.0 111.913 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -58.95 -35.97 74.03 Favored 'General case' 0 C--O 1.18 -2.556 0 C-N-CA 127.555 2.342 . . . . 0.0 113.768 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.1 40.48 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 125.645 1.578 . . . . 0.0 114.957 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.98 75.59 Favored Glycine 0 C--O 1.183 -3.091 0 C-N-CA 128.445 2.926 . . . . 0.0 112.722 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.14 25.79 36.01 Favored Glycine 0 C--O 1.196 -2.25 0 CA-C-N 119.684 1.742 . . . . 0.0 117.402 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 9.7 m-85 . . . . . 0 C--O 1.166 -3.32 0 C-N-CA 127.19 2.196 . . . . 0.0 115.111 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.719 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.39 -22.05 66.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.274 1.43 . . . . 0.0 113.666 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.77 -8.64 0.98 Allowed 'General case' 0 N--CA 1.427 -1.578 0 C-N-CA 125.201 1.401 . . . . 0.0 113.66 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.85 -85.16 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.656 1.982 . . . . 0.0 111.475 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.07 10.91 1.03 Allowed 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -169.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.15 -59.42 2.26 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 127.498 2.319 . . . . 0.0 110.723 162.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.92 -35.32 24.15 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 111.216 -170.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.06 -39.18 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 124.397 1.079 . . . . 0.0 110.829 173.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -61.01 -45.43 94.84 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 120.937 -1.102 . . . . 0.0 112.068 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.45 13.39 0.09 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.914 2.085 . . . . 0.0 116.206 167.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mm -122.03 -60.22 2.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 129.016 2.926 . . . . 0.0 108.99 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.14 67.68 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 118.323 -2.736 . . . . 0.0 115.147 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 -36.62 19.98 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 125.317 1.447 . . . . 0.0 113.669 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.36 -36.18 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 127.301 2.241 . . . . 0.0 111.602 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.37 -49.01 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 120.425 -1.422 . . . . 0.0 110.743 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -53.41 -44.59 68.86 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.089 0.955 . . . . 0.0 112.124 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.63 -31.04 29.02 Favored 'General case' 0 C--O 1.201 -1.5 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.78 -35.5 58.58 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.292 2.853 . . . . 0.0 113.771 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.65 41.13 57.68 Favored Glycine 0 N--CA 1.437 -1.235 0 C-N-CA 123.68 0.657 . . . . 0.0 112.761 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.173 -2.932 0 C-N-CA 126.981 2.113 . . . . 0.0 115.732 -173.319 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.37 -60.26 0.22 Allowed 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.67 66.02 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 125.08 1.352 . . . . 0.0 110.696 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -83.82 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.249 1.42 . . . . 0.0 111.38 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.43 6.52 1.02 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.4 -55.14 3.78 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 127.849 2.46 . . . . 0.0 110.598 164.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.5 -35.94 24.48 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 120.824 -1.172 . . . . 0.0 112.472 -171.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.2 -37.46 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 123.795 0.838 . . . . 0.0 112.504 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -65.08 -38.08 89.6 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 125.517 1.527 . . . . 0.0 110.765 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.748 0.819 . . . . 0.0 111.265 165.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.4 -42.41 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 O-C-N 120.713 -1.242 . . . . 0.0 111.978 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.42 67.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.381 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.34 -45.54 14.77 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.737 2.015 . . . . 0.0 112.873 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.54 -34.15 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 125.913 1.685 . . . . 0.0 112.096 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -51.17 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 124.414 1.086 . . . . 0.0 111.291 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.07 -45.2 95.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.283 1.833 . . . . 0.0 113.795 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.34 77.89 Favored 'General case' 0 C--O 1.211 -0.971 0 C-N-CA 123.665 0.786 . . . . 0.0 112.772 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.45 -32.82 59.35 Favored Glycine 0 C--O 1.205 -1.702 0 C-N-CA 127.332 2.396 . . . . 0.0 112.79 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.36 25.28 26.51 Favored Glycine 0 C--O 1.22 -0.78 0 O-C-N 119.4 -2.236 . . . . 0.0 115.115 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.174 -2.875 0 C-N-CA 125.79 1.636 . . . . 0.0 114.824 179.731 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.392 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -108.19 -24.71 11.41 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 127.305 2.242 . . . . 0.0 114.035 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.72 -34.98 1.01 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 126.231 1.812 . . . . 0.0 111.334 164.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.12 -1.41 40.08 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.59 -55.65 2.36 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 120.297 -1.502 . . . . 0.0 112.111 150.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.28 -37.75 62.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 128.09 2.556 . . . . 0.0 114.705 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -45.83 17.46 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.26 1.028 . . . . 0.0 109.909 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.7 -39.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.844 1.658 . . . . 0.0 112.339 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.11 -36.43 72.16 Favored 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 126.466 1.906 . . . . 0.0 113.248 -173.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.23 53.83 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 124.038 0.935 . . . . 0.0 111.426 160.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.96 -41.12 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 121.439 -0.788 . . . . 0.0 112.159 -165.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.19 69.05 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 119.712 -1.868 . . . . 0.0 114.415 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.91 34.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 120.877 -1.139 . . . . 0.0 112.022 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.69 -36.5 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.162 2.585 . . . . 0.0 110.978 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -55.24 -53.39 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.533 1.533 . . . . 0.0 110.973 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -61.85 -40.85 96.79 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 127.05 2.14 . . . . 0.0 112.271 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.55 -36.54 32.91 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 123.634 0.774 . . . . 0.0 111.212 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.33 -39.4 97.18 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 127.963 2.697 . . . . 0.0 114.535 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.24 9.23 Favored Glycine 0 C--O 1.202 -1.901 0 CA-C-O 118.774 -1.015 . . . . 0.0 115.382 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--O 1.177 -2.758 0 CA-C-O 122.876 1.322 . . . . 0.0 110.916 170.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.429 -1.511 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.27 -12.75 22.36 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.615 2.766 . . . . 0.0 114.512 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.341 . . -66.11 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -161.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.97 -27.78 54.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.06 -17.12 63.08 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.794 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -105.55 -64.85 1.1 Allowed 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.6 -1.312 . . . . 0.0 111.093 154.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.9 mm -59.21 -31.96 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 124.474 1.11 . . . . 0.0 113.597 -162.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -73.98 -36.82 64.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 120.298 1.408 . . . . 0.0 113.439 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -43.86 67.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.304 0.642 . . . . 0.0 111.088 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.2 mm -72.82 -38.95 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 O-C-N 119.559 -1.963 . . . . 0.0 110.86 -167.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.28 66.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.88 -42.34 13.29 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 111.918 173.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.9 mt -58.12 -39.66 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.587 1.955 . . . . 0.0 110.882 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.6 -52.51 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.041 1.336 . . . . 0.0 113.033 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 3.7 tppt? -60.5 -36.54 78.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.716 0.806 . . . . 0.0 112.109 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -24.96 43.45 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 171.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.98 -34.01 59.16 Favored Glycine 0 C--O 1.207 -1.558 0 C-N-CA 128.014 2.721 . . . . 0.0 113.38 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.57 13.74 62.65 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 118.597 1.199 . . . . 0.0 115.444 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 . . . . . 0 C--O 1.203 -1.393 0 C-N-CA 126.513 1.925 . . . . 0.0 113.22 -178.322 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.037 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.54 -8.88 10.75 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.014 -1.679 . . . . 0.0 114.944 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.03 -4.7 0.35 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 161.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.88 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.09 0.79 4.2 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -165.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.95 -52.11 5.65 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 118.35 -2.719 . . . . 0.0 112.225 164.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.07 -39.02 21.73 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.96 -37.37 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 127.339 2.256 . . . . 0.0 110.984 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -63.82 -45.65 88.64 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.884 0.874 . . . . 0.0 111.118 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 5.01 1.02 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.873 2.069 . . . . 0.0 115.889 165.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.03 -56.23 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 125.728 1.611 . . . . 0.0 112.238 167.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.58 -26.68 68.72 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 121.943 2.156 . . . . 0.0 113.559 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.67 -40.77 63.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.163 1.385 . . . . 0.0 114.173 168.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.794 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.7 mp -72.6 -33.0 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.986 2.114 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.11 -52.75 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 O-C-N 120.09 -1.631 . . . . 0.0 110.617 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -65.03 -42.23 94.52 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.222 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.29 -36.19 54.44 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 125.933 1.693 . . . . 0.0 113.823 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.6 -33.96 33.02 Favored Glycine 0 N--CA 1.434 -1.468 0 C-N-CA 127.111 2.291 . . . . 0.0 111.309 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.77 50.32 6.55 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 119.422 1.611 . . . . 0.0 116.015 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' C' ' 53' ' ' ILE . 8.0 m-85 . . . . . 0 C--O 1.184 -2.36 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.363 -4.818 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.23 -12.96 6.16 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.888 1.675 . . . . 0.0 114.429 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -1.48 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 162.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.96 -93.54 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.068 2.947 . . . . 0.0 111.721 -171.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.06 52.24 Favored 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -106.23 -61.61 1.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 120.85 -1.156 . . . . 0.0 109.506 165.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' B' ' 43' ' ' TYR . 32.1 mm -61.49 -30.83 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.405 1.482 . . . . 0.0 113.215 -165.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -36.37 69.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.425 -1.422 . . . . 0.0 110.884 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.98 82.08 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.389 1.076 . . . . 0.0 113.567 162.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.63 -34.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.098 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.79 66.21 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 121.72 2.054 . . . . 0.0 114.281 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 -36.38 17.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.358 1.463 . . . . 0.0 113.547 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 36.6 mt -62.85 -33.81 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.592 1.957 . . . . 0.0 111.169 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.25 -46.02 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 O-C-N 120.113 -1.617 . . . . 0.0 112.574 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -60.23 -39.59 87.25 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.499 1.92 . . . . 0.0 114.169 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.01 -42.56 57.2 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 112.628 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.52 -34.67 76.74 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 126.663 2.078 . . . . 0.0 115.807 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.56 32.97 17.64 Favored Glycine 0 C--O 1.215 -1.085 0 C-N-CA 125.144 1.355 . . . . 0.0 114.923 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' TYR . . . . . 0.419 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 4.9 m-85 . . . . . 0 C--O 1.175 -2.84 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.713 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.86 -36.18 50.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.932 0.893 . . . . 0.0 112.503 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -46.04 -35.41 4.82 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.2 1.8 . . . . 0.0 112.454 166.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.64 3.46 32.76 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.149 1.78 . . . . 0.0 114.468 -171.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.24 -56.41 2.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 O-C-N 120.77 -1.206 . . . . 0.0 111.476 152.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.18 72.76 Favored 'General case' 0 C--O 1.196 -1.723 0 C-N-CA 126.301 1.84 . . . . 0.0 113.392 -168.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -39.68 21.55 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 119.762 1.164 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.7 mm -62.08 -43.7 98.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 124.121 0.968 . . . . 0.0 111.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -66.33 -37.27 84.96 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.496 1.119 . . . . 0.0 112.604 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.93 -60.15 4.0 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 123.85 0.719 . . . . 0.0 111.397 161.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.256 0.4 OUTLIER -68.49 -41.75 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 O-C-N 118.875 -2.391 . . . . 0.0 111.74 -166.493 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.43 65.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 120.96 1.709 . . . . 0.0 114.035 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.99 -45.5 15.25 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 126.073 1.749 . . . . 0.0 112.459 169.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 81' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' C' ' 52' ' ' ALA . 53.7 mt -66.12 -26.69 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 126.27 1.828 . . . . 0.0 111.698 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 39.0 mt -61.04 -50.12 81.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 120.149 -1.595 . . . . 0.0 111.703 171.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -69.99 -42.01 73.64 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.289 1.035 . . . . 0.0 113.008 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.13 -36.91 69.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 123.19 1.472 . . . . 0.0 114.048 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.45 65.74 Favored Glycine 0 C--O 1.204 -1.739 0 C-N-CA 129.171 3.272 . . . . 0.0 111.003 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.58 50.81 7.74 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 115.472 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 87' ' ' TYR . . . . . 0.403 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 8.7 m-85 . . . . . 0 N--CA 1.433 -1.318 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' B' ' 41' ' ' GLY . . . -51.29 -28.57 12.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.053 1.741 . . . . 0.0 113.384 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.07 8.69 25.51 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -160.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.15 -58.26 2.18 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 124.576 1.15 . . . . 0.0 111.238 149.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.72 -43.46 47.72 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 127.507 2.323 . . . . 0.0 113.163 -171.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.13 -40.71 19.43 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 121.33 -0.856 . . . . 0.0 112.394 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -59.22 -42.35 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 123.872 0.869 . . . . 0.0 112.163 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.83 -55.02 40.56 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.875 2.07 . . . . 0.0 109.348 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 11.73 0.14 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 170.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.16 -64.56 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 127.644 2.378 . . . . 0.0 109.755 161.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -27.24 69.0 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 123.533 2.879 . . . . 0.0 113.027 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.31 57.18 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.122 0.969 . . . . 0.0 111.876 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.508 HG21 ' HB1' ' B' ' 30' ' ' ALA . 1.2 mp -63.66 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 127.157 2.183 . . . . 0.0 112.793 173.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.61 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 123.959 0.904 . . . . 0.0 109.3 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -47.79 82.85 Favored 'General case' 0 C--O 1.208 -1.117 0 C-N-CA 125.539 1.535 . . . . 0.0 112.5 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.99 17.0 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 124.039 0.936 . . . . 0.0 112.212 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.1 -33.35 83.1 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 127.703 2.573 . . . . 0.0 113.841 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 55.23 7.85 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.242 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.183 -2.405 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.403 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.499 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -65.81 -6.2 11.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 120.042 -1.661 . . . . 0.0 114.861 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 0.98 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 158.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.56 -81.29 0.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.463 1.505 . . . . 0.0 114.239 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.07 9.18 2.09 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 -162.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -52.93 5.7 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.001 1.72 . . . . 0.0 109.083 158.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 15' ' ' ILE . . . -80.55 -49.73 10.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.857 1.263 . . . . 0.0 109.826 -166.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mm -59.2 -36.92 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 128.322 2.649 . . . . 0.0 111.755 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -61.81 -51.43 68.3 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.954 0.901 . . . . 0.0 110.372 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 17.27 0.09 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.471 1.908 . . . . 0.0 115.149 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 mm -127.15 -51.41 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 C-N-CA 126.432 1.893 . . . . 0.0 112.308 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -27.04 68.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 122.153 2.251 . . . . 0.0 115.537 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.21 -44.94 51.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.359 1.463 . . . . 0.0 112.321 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.41 -34.63 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 127.507 2.323 . . . . 0.0 112.859 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.28 -49.94 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 125.291 1.437 . . . . 0.0 111.054 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.03 -40.37 75.23 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.351 2.26 . . . . 0.0 113.004 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.13 -30.16 60.72 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 126.085 1.754 . . . . 0.0 113.834 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 4' ' ' ALA . . . -80.04 -25.02 58.62 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 127.587 2.518 . . . . 0.0 113.796 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.05 38.46 11.24 Favored Glycine 0 C--O 1.195 -2.3 0 C-N-CA 124.755 1.169 . . . . 0.0 115.92 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TYR . . . . . 1.119 ' O ' ' CA ' ' B' ' 43' ' ' TYR . 11.0 m-85 . . . . . 1 C--O 0.645 -30.745 1 CA-C-O 134.435 6.826 . . . . 0.0 114.998 171.738 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.149 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -66.53 -16.96 64.54 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 119.736 -1.852 . . . . 0.0 113.92 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.72 -4.61 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 126.748 2.019 . . . . 0.0 114.664 167.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -93.18 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.559 2.344 . . . . 0.0 112.059 -169.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.91 63.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 121.274 1.852 . . . . 0.0 114.791 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.96 -24.34 62.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 119.778 -1.826 . . . . 0.0 114.492 172.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -97.85 -62.06 1.3 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.696 1.236 . . . . 0.0 110.767 162.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.06 -25.68 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 124.799 1.24 . . . . 0.0 112.215 -161.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -36.19 54.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 119.761 1.164 . . . . 0.0 110.86 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.75 73.33 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 161.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -67.11 -39.41 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 O-C-N 120.182 -1.574 . . . . 0.0 110.738 -171.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.14 -21.94 66.85 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.65 -37.02 17.12 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.08 -35.94 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 126.182 1.793 . . . . 0.0 110.578 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.69 -54.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 O-C-N 120.336 -1.477 . . . . 0.0 112.822 170.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -40.3 71.97 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 125.106 1.362 . . . . 0.0 111.846 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.73 -22.4 40.3 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 125.299 1.439 . . . . 0.0 112.713 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.32 -29.97 69.72 Favored Glycine 0 C--O 1.174 -3.642 0 C-N-CA 128.073 2.749 . . . . 0.0 114.258 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.84 16.31 58.31 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 119.652 1.726 . . . . 0.0 115.783 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.434 -1.263 0 C-N-CA 126.969 2.108 . . . . 0.0 115.418 177.457 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.172 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -69.49 -15.97 63.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.322 -1.486 . . . . 0.0 113.315 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.51 -0.99 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 129.546 3.138 . . . . 0.0 115.235 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.11 14.11 5.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.824 2.449 . . . . 0.0 115.597 -169.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.06 -58.25 2.05 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 119.551 -1.968 . . . . 0.0 110.233 151.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.63 51.9 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 128.737 2.815 . . . . 0.0 114.857 -169.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.79 25.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.423 0.63 . . . . 0.0 111.983 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 46.1 mm -71.19 -39.82 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 125.083 1.353 . . . . 0.0 111.18 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -66.11 -36.61 83.63 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 126.504 1.922 . . . . 0.0 114.078 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -64.04 0.96 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.593 0.757 . . . . 0.0 112.701 157.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.32 -43.13 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.165 -165.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.83 65.4 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.05 -37.43 17.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.037 1.335 . . . . 0.0 110.455 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 81' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' C' ' 52' ' ' ALA . 65.8 mt -70.12 -34.17 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 128.559 2.744 . . . . 0.0 110.469 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 36.4 mt -57.04 -54.65 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 119.643 1.11 . . . . 0.0 112.108 169.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -58.72 -41.45 86.4 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.102 1.361 . . . . 0.0 114.212 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.82 56.78 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.26 -19.38 72.1 Favored Glycine 0 C--O 1.216 -1.026 0 C-N-CA 128.218 2.818 . . . . 0.0 113.829 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.41 52.13 54.51 Favored Glycine 0 C--O 1.21 -1.389 0 CA-C-N 118.903 1.352 . . . . 0.0 113.678 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 87' ' ' TYR . . . . . 0.423 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 2.0 m-85 . . . . . 0 C--O 1.183 -2.395 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.44 -0.96 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.99 -7.48 0.48 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.463 2.305 . . . . 0.0 114.473 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.264 . . -54.32 -89.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.239 2.616 . . . . 0.0 113.829 -177.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 36.29 0.39 Allowed 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.086 -1.634 . . . . 0.0 112.761 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.3 -39.03 3.45 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 131.523 3.929 . . . . 0.0 111.185 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.03 -45.36 5.43 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 125.763 1.625 . . . . 0.0 110.993 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -60.62 -33.23 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 124.646 1.178 . . . . 0.0 111.088 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' ALA . 25.5 pttt -57.18 -56.69 18.48 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.849 0.749 . . . . 0.0 112.027 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . . . -52.24 -48.08 65.38 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.722 -2.035 . . . . 0.0 111.511 170.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -42.38 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.152 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -18.84 65.57 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 121.408 1.913 . . . . 0.0 113.986 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.16 -43.5 14.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.847 1.259 . . . . 0.0 112.446 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.09 -28.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 126.939 2.096 . . . . 0.0 109.259 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.78 -52.32 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 120.787 1.63 . . . . 0.0 110.819 170.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -65.29 -43.58 90.69 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.763 1.625 . . . . 0.0 113.514 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.21 -31.68 23.06 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 124.304 1.042 . . . . 0.0 112.827 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.06 -47.95 50.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 128.613 3.006 . . . . 0.0 110.983 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.59 36.09 3.62 Favored Glycine 0 C--O 1.203 -1.782 0 C-N-CA 126.396 1.951 . . . . 0.0 115.7 173.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--O 1.198 -1.629 0 CA-C-N 119.939 1.87 . . . . 0.0 111.62 175.713 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.124 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.9 -11.17 11.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -17.25 0.1 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.379 1.872 . . . . 0.0 114.18 160.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.32 -89.96 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 128.244 2.617 . . . . 0.0 113.783 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.14 35.41 0.38 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 121.469 0.652 . . . . 0.0 111.727 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.1 -35.03 6.22 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 127.995 2.518 . . . . 0.0 112.231 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.73 -54.9 3.07 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.752 1.263 . . . . 0.0 112.087 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.79 -34.0 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 126.747 2.019 . . . . 0.0 112.871 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.549 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 8.5 ptmt -52.01 -61.58 2.17 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 123.303 1.525 . . . . 0.0 114.175 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -57.41 -45.26 84.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 112.662 -2.063 . . . . 0.0 110.586 171.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mm -68.23 -44.06 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.552 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.66 64.94 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 121.313 1.87 . . . . 0.0 114.573 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.97 -36.92 13.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.589 1.955 . . . . 0.0 112.694 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.66 -37.65 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 126.885 2.074 . . . . 0.0 110.65 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.38 -51.11 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 C-N-CA 123.114 0.566 . . . . 0.0 112.2 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.13 -42.07 69.08 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 125.083 1.353 . . . . 0.0 112.586 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.38 56.13 Favored 'General case' 0 C--O 1.2 -1.531 0 C-N-CA 126.556 1.942 . . . . 0.0 115.883 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.41 -17.59 54.79 Favored Glycine 0 C--O 1.213 -1.203 0 C-N-CA 128.108 2.766 . . . . 0.0 116.908 -165.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 118.181 0.99 . . . . 0.0 113.435 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 C--O 1.156 -3.865 0 C-N-CA 127.463 2.305 . . . . 0.0 115.531 173.77 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.531 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 47' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' C' ' 49' ' ' ALA . 71.0 mmtt -61.62 -17.12 53.95 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.49 2.316 . . . . 0.0 113.517 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -3.55 0.21 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 129.513 3.125 . . . . 0.0 114.548 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -67.81 -80.15 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.891 2.476 . . . . 0.0 114.196 -163.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -0.51 2.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.45 -64.92 1.08 Allowed 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.708 -1.245 . . . . 0.0 110.057 159.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.78 3.07 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 119.017 0.826 . . . . 0.0 112.247 -169.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -13.74 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 119.414 1.006 . . . . 0.0 111.545 -165.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.97 -40.11 12.56 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 127.037 2.135 . . . . 0.0 108.476 -165.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.51 -46.97 77.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 123.574 0.75 . . . . 0.0 110.929 160.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.6 -39.29 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 O-C-N 119.974 -1.703 . . . . 0.0 111.138 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.01 -23.98 66.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.62 -37.35 18.15 Favored 'General case' 0 C--O 1.21 -0.99 0 C-N-CA 125.512 1.525 . . . . 0.0 111.816 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.16 -34.16 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 O-C-N 119.965 -1.709 . . . . 0.0 111.186 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 124.865 1.266 . . . . 0.0 112.675 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.8 -38.74 92.22 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -31.55 72.6 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.117 1.767 . . . . 0.0 114.028 165.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.33 79.91 Favored Glycine 0 C--O 1.177 -3.425 0 C-N-CA 128.183 2.801 . . . . 0.0 115.921 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.97 20.16 79.85 Favored Glycine 0 C--N 1.298 -1.55 0 O-C-N 119.63 -2.1 . . . . 0.0 115.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.438 -1.034 0 C-N-CA 127.559 2.344 . . . . 0.0 116.853 177.509 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.117 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 69' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' D' ' 71' ' ' ALA . 46.8 mmtm -65.18 -14.93 61.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.78 1.05 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 71' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -81.63 5.93 16.68 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 127.279 2.232 . . . . 0.0 115.514 -165.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.45 -55.76 2.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 118.111 0.414 . . . . 0.0 110.592 154.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.83 75.62 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.678 1.991 . . . . 0.0 113.819 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.8 32.5 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 122.851 1.31 . . . . 0.0 110.839 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mm -67.62 -44.03 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.69 -1.257 . . . . 0.0 113.358 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.76 -31.16 71.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.407 1.483 . . . . 0.0 112.308 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.77 -64.19 0.99 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.529 0.681 . . . . 0.0 110.931 160.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.287 1.3 tt -69.42 -41.23 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 O-C-N 119.909 -1.745 . . . . 0.0 110.973 -164.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -22.46 66.97 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.37 -36.95 16.29 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 125.098 1.359 . . . . 0.0 111.643 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 125.238 1.415 . . . . 0.0 111.379 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mt -59.69 -50.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.093 1.757 . . . . 0.0 111.66 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -61.85 -30.19 70.68 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.05 33.21 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 125.848 1.659 . . . . 0.0 114.941 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.83 -22.64 27.69 Favored Glycine 0 C--O 1.179 -3.296 0 C-N-CA 128.463 2.935 . . . . 0.0 115.516 -163.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.51 37.03 89.51 Favored Glycine 0 C--O 1.196 -2.28 0 CA-C-N 119.326 1.563 . . . . 0.0 115.909 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--O 1.193 -1.916 0 O-C-N 120.162 -1.787 . . . . 0.0 114.55 177.117 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.43 -15.27 35.37 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -58.95 -12.45 4.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.851 2.46 . . . . 0.0 113.938 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.14 -10.78 0.39 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.732 1.613 . . . . 0.0 113.656 163.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.64 -81.08 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.9 2.08 . . . . 0.0 113.906 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.22 2.85 2.54 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.18 -51.06 5.78 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 124.568 1.147 . . . . 0.0 112.934 161.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -65.9 0.64 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.506 1.122 . . . . 0.0 113.496 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.91 -24.41 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 123.156 0.582 . . . . 0.0 112.562 -168.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.1 tmtt? -76.1 -44.82 36.91 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.082 2.553 . . . . 0.0 109.647 -168.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.12 78.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.293 1.037 . . . . 0.0 112.561 162.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.03 -35.49 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.834 -171.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.38 -20.49 65.56 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.39 -41.83 13.29 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 124.507 1.123 . . . . 0.0 113.185 172.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.29 -33.69 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 129.422 3.089 . . . . 0.0 109.171 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.41 -58.69 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 C-N-CA 125.715 1.606 . . . . 0.0 111.713 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -56.26 -39.93 73.39 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.578 0.751 . . . . 0.0 112.887 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.83 60.71 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 125.779 1.632 . . . . 0.0 114.372 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.01 -22.21 78.2 Favored Glycine 0 C--O 1.202 -1.852 0 C-N-CA 126.732 2.111 . . . . 0.0 112.791 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.51 29.3 72.92 Favored Glycine 0 N--CA 1.432 -1.59 0 CA-C-N 118.673 1.237 . . . . 0.0 114.777 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -51.68 -31.72 27.0 Favored 'General case' 0 C--O 1.177 -2.714 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.816 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -1.555 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.72 16.98 1.12 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 129.043 2.937 . . . . 0.0 116.984 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.95 -10.92 57.35 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -7.85 0.25 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 127.245 2.218 . . . . 0.0 114.761 163.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.145 0.978 . . . . 0.0 112.652 -169.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.73 13.93 0.32 Allowed 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.35 -62.72 1.45 Allowed 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 119.473 -2.017 . . . . 0.0 112.386 153.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -35.14 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 122.111 0.958 . . . . 0.0 111.624 -169.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.16 -41.63 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 C-N-CA 125.737 1.615 . . . . 0.0 111.937 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -64.0 -38.31 90.59 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 123.697 0.799 . . . . 0.0 112.743 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.41 -52.72 64.39 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.72 164.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 0.7 OUTLIER -64.02 -44.82 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 120.14 1.337 . . . . 0.0 112.483 -173.346 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.3 -16.21 64.14 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -33.93 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.386 1.874 . . . . 0.0 111.93 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.96 -32.14 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.841 1.656 . . . . 0.0 109.63 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' B' ' 43' ' ' TYR . 54.1 mt -59.26 -57.64 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 O-C-N 120.564 -1.335 . . . . 0.0 111.13 171.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -53.1 -44.64 67.77 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.566 1.546 . . . . 0.0 115.119 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.27 60.48 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.041 1.736 . . . . 0.0 113.701 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.55 -33.84 21.15 Favored Glycine 0 C--O 1.184 -2.969 0 C-N-CA 125.75 1.643 . . . . 0.0 113.786 -174.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.28 36.0 22.02 Favored Glycine 0 N--CA 1.42 -2.418 0 C-N-CA 127.553 2.502 . . . . 0.0 118.016 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' B' ' 38' ' ' ILE . 9.5 m-85 -54.65 -25.94 30.04 Favored 'General case' 0 C--O 1.176 -2.804 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.865 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.15 -5.67 28.79 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -55.67 -34.07 64.68 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 118.847 -2.408 . . . . 0.0 115.045 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.7 -12.69 1.97 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.467 1.907 . . . . 0.0 114.833 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.138 1.375 . . . . 0.0 112.225 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.67 32.9 0.13 Allowed 'General case' 0 C--O 1.197 -1.67 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.65 -27.62 4.69 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 131.539 3.935 . . . . 0.0 112.825 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.44 -49.31 3.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.675 1.59 . . . . 0.0 112.527 167.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.15 -34.31 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 124.298 1.039 . . . . 0.0 111.504 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' C' ' 55' ' ' ALA . 18.2 ptmt -55.27 -61.3 2.42 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.72 1.208 . . . . 0.0 113.64 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ALA . . . . . 0.651 ' H ' ' HG3' ' C' ' 54' ' ' LYS . . . -64.45 12.47 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.183 3.393 . . . . 0.0 115.427 166.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 mm -122.18 -50.07 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.949 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.87 -24.04 67.59 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 121.13 1.786 . . . . 0.0 113.676 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.37 -38.89 49.1 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.481 1.513 . . . . 0.0 113.116 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.4 -31.82 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.612 1.965 . . . . 0.0 110.89 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 mt -53.67 -51.56 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 O-C-N 120.018 -1.676 . . . . 0.0 110.873 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -61.26 -47.46 85.94 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 128.145 2.578 . . . . 0.0 111.445 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.56 71.4 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 125.875 1.67 . . . . 0.0 111.345 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.08 -35.86 89.67 Favored Glycine 0 C--O 1.198 -2.122 0 C-N-CA 130.433 3.873 . . . . 0.0 111.785 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.28 42.93 17.53 Favored Glycine 0 C--O 1.216 -0.974 0 C-N-CA 127.304 2.383 . . . . 0.0 113.704 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -63.99 135.03 56.11 Favored 'General case' 0 C--O 1.175 -2.848 0 CA-C-O 123.71 1.719 . . . . 0.0 112.265 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.267 -2.992 0 O-C-N 117.306 -3.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 67' ' ' ACE . . . . . 0.424 ' O ' ' HB3' ' D' ' 70' ' ' ALA . . . . . . . . 0 C--O 1.174 -2.884 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.82 60.81 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -51.33 -51.48 53.99 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.037 1.735 . . . . 0.0 111.842 162.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' D' ' 67' ' ' ACE . . . -45.74 -39.26 7.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.578 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.12 4.74 29.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.211 1.804 . . . . 0.0 115.134 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.39 -62.24 1.32 Allowed 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.987 -1.07 . . . . 0.0 110.109 150.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.23 65.64 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.389 1.876 . . . . 0.0 115.228 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -40.06 46.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.697 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -69.42 -44.25 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.398 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.13 -29.41 65.21 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.612 1.565 . . . . 0.0 114.284 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -64.58 0.9 Allowed 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.879 156.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.84 -39.79 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 118.43 -2.668 . . . . 0.0 112.064 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.68 -12.64 61.43 Favored 'General case' 0 C--O 1.196 -1.745 0 O-C-N 120.028 -1.67 . . . . 0.0 113.979 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.08 -35.65 10.35 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 119.573 -1.954 . . . . 0.0 113.464 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' C' ' 52' ' ' ALA . 83.8 mt -70.93 -27.58 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.45 1.5 . . . . 0.0 109.294 174.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.25 -50.32 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 120.853 1.661 . . . . 0.0 111.992 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -53.93 -36.22 62.53 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.84 -42.43 14.15 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 125.323 1.449 . . . . 0.0 112.591 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.7 77.2 Favored Glycine 0 C--O 1.197 -2.186 0 C-N-CA 127.954 2.693 . . . . 0.0 115.063 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.66 32.62 57.13 Favored Glycine 0 C--O 1.182 -3.118 0 C-N-CA 125.21 1.386 . . . . 0.0 115.851 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -52.08 -25.19 8.12 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 127.951 2.5 . . . . 0.0 117.024 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.256 -3.469 0 O-C-N 119.198 -2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.33 15.35 0.66 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 130.271 3.429 . . . . 0.0 116.827 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -67.21 -14.32 62.8 Favored 'General case' 0 N--CA 1.439 -0.976 0 O-C-N 119.284 -2.135 . . . . 0.0 116.274 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.33 1.03 0.09 Allowed 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.061 2.145 . . . . 0.0 116.387 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.46 9.46 23.56 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 -160.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.88 -54.21 2.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.477 -1.39 . . . . 0.0 111.877 151.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.89 68.54 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 127.185 2.194 . . . . 0.0 113.47 -167.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.01 -40.27 15.98 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 119.494 1.043 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.47 -44.92 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.442 1.497 . . . . 0.0 112.502 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -65.22 -38.77 91.46 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.092 2.157 . . . . 0.0 110.27 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.25 5.38 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 118.745 0.702 . . . . 0.0 111.417 162.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -45.79 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.191 1.396 . . . . 0.0 113.357 -168.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.77 67.49 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.971 1.714 . . . . 0.0 113.987 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.61 -39.09 16.47 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.964 1.306 . . . . 0.0 112.34 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.76 -33.51 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 125.847 1.659 . . . . 0.0 109.593 172.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.21 -57.94 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 119.838 1.199 . . . . 0.0 112.13 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.65 32.04 Favored 'General case' 0 C--O 1.212 -0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 112.052 174.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.4 25.99 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.478 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.28 -39.18 44.41 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 128.28 2.848 . . . . 0.0 113.69 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 27.36 29.24 Favored Glycine 0 C--O 1.195 -2.323 0 C-N-CA 126.648 2.071 . . . . 0.0 114.06 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -54.63 -30.64 55.51 Favored 'General case' 0 C--O 1.179 -2.612 0 C-N-CA 126.272 1.829 . . . . 0.0 114.9 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -8.84 9.26 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -61.67 -16.08 45.74 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 167.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.61 -13.27 0.93 Allowed 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 125.488 1.515 . . . . 0.0 114.951 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -60.3 -92.99 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 129.402 3.081 . . . . 0.0 113.085 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.62 33.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.599 1.16 . . . . 0.0 112.588 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -112.83 -37.11 4.95 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 129.632 3.173 . . . . 0.0 111.934 166.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.87 -56.78 2.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 124.582 1.153 . . . . 0.0 111.313 172.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mm -52.68 -29.66 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 C-N-CA 126.26 1.824 . . . . 0.0 113.499 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.645 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 37.7 pttt -60.72 -60.7 3.38 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 123.687 1.708 . . . . 0.0 114.113 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.645 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -53.98 -48.07 70.73 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.623 -2.081 . . . . 0.0 111.467 167.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mm -67.66 -41.32 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 124.572 1.149 . . . . 0.0 110.948 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.22 66.31 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 121.359 1.89 . . . . 0.0 114.965 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.39 -38.03 16.53 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 126.966 2.106 . . . . 0.0 113.166 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.87 -34.94 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.476 2.311 . . . . 0.0 109.34 173.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 22.3 mt -64.54 -51.7 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 124.807 1.243 . . . . 0.0 111.256 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -56.69 -42.27 78.79 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 123.688 0.795 . . . . 0.0 113.138 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.69 68.26 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.21 2.204 . . . . 0.0 112.531 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.69 -15.1 81.5 Favored Glycine 0 C--O 1.218 -0.848 0 C-N-CA 127.786 2.613 . . . . 0.0 116.817 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.49 77.7 Favored Glycine 0 C--O 1.211 -1.293 0 O-C-N 120.857 -1.378 . . . . 0.0 115.102 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -58.24 -35.01 71.06 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 127.504 2.322 . . . . 0.0 113.433 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 O-C-N 119.448 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.77 -18.32 20.94 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 125.981 1.713 . . . . 0.0 115.448 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.79 -13.98 57.38 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -4.58 0.53 Allowed 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.338 1.855 . . . . 0.0 114.816 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -71.17 0.36 Allowed 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.725 1.61 . . . . 0.0 115.201 -167.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.47 -2.01 15.22 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.655 1.982 . . . . 0.0 115.957 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.66 -55.43 4.12 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.175 -0.953 . . . . 0.0 110.111 159.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.69 -69.54 0.24 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 126.466 1.906 . . . . 0.0 113.61 -173.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.432 HD13 ' N ' ' C' ' 54' ' ' LYS . 0.0 OUTLIER -67.65 -18.89 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 O-C-N 120.692 -1.255 . . . . 0.0 112.257 -166.108 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 54' ' ' LYS . . . . . 0.432 ' N ' HD13 ' C' ' 53' ' ' ILE . 2.3 tmtp? -78.16 -40.7 37.09 Favored 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 127.766 2.427 . . . . 0.0 110.215 -171.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.07 95.52 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.467 -0.771 . . . . 0.0 112.98 161.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.15 -27.24 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.466 -166.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.4 65.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.168 -2.207 . . . . 0.0 113.397 167.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.69 -40.01 23.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.597 1.559 . . . . 0.0 113.054 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 mt -67.62 -28.17 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 126.38 1.872 . . . . 0.0 111.187 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' C' ' 65' ' ' TYR . 11.4 mt -61.51 -53.27 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.146 -1.596 . . . . 0.0 110.011 172.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.75 -41.84 99.39 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.805 1.642 . . . . 0.0 111.599 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.44 57.67 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 125.589 1.555 . . . . 0.0 113.861 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.59 -33.66 55.47 Favored Glycine 0 C--O 1.193 -2.463 0 C-N-CA 129.375 3.369 . . . . 0.0 112.815 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.15 25.42 34.01 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-N 119.505 1.652 . . . . 0.0 113.161 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' C' ' 60' ' ' ILE . 11.4 m-85 -58.83 -20.65 52.53 Favored 'General case' 0 C--O 1.187 -2.209 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.649 0 O-C-N 118.988 -2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.177 -2.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.91 -47.55 51.85 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 125.602 1.561 . . . . 0.0 114.869 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -77.67 -43.22 31.97 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 129.212 3.005 . . . . 0.0 112.689 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.83 -34.59 5.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.217 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.55 5.65 23.35 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.048 1.739 . . . . 0.0 114.559 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.97 -56.85 2.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.925 -0.56 . . . . 0.0 111.871 149.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.83 -40.62 60.81 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 127.54 2.336 . . . . 0.0 113.928 -170.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.72 22.56 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 123.582 1.658 . . . . 0.0 112.974 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.17 -42.83 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.202 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -62.01 -34.69 76.66 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 124.497 1.119 . . . . 0.0 111.885 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.72 -60.44 3.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.4 1.08 . . . . 0.0 109.312 165.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.298 1.5 tt -62.27 -45.75 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 O-C-N 120.626 -1.296 . . . . 0.0 111.696 -169.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.62 -16.75 63.44 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.97 -44.03 11.92 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 125.125 1.37 . . . . 0.0 110.761 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.43 -34.02 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 C-N-CA 126.855 2.062 . . . . 0.0 111.036 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 60.0 mt -62.1 -48.48 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.41 1.484 . . . . 0.0 110.803 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -65.11 -46.51 80.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 126.585 1.954 . . . . 0.0 112.443 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -39.28 51.97 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.424 1.89 . . . . 0.0 113.103 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.65 80.42 Favored Glycine 0 C--O 1.212 -1.247 0 C-N-CA 125.8 1.667 . . . . 0.0 112.957 169.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.02 8.36 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 126.58 2.038 . . . . 0.0 112.842 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 87' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 37.6 m-85 -57.42 150.54 18.3 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 119.158 1.479 . . . . 0.0 111.858 174.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.187 0 O-C-N 118.888 -2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.255 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.02 61.98 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.05 -16.6 45.49 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 126.083 1.753 . . . . 0.0 113.619 173.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.59 -11.48 1.35 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 126.995 2.118 . . . . 0.0 114.092 167.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.57 -87.19 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.871 1.668 . . . . 0.0 113.416 -167.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.44 1.29 Allowed 'General case' 0 N--CA 1.437 -1.092 0 O-C-N 119.559 -1.963 . . . . 0.0 115.214 -167.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.16 -44.32 9.32 Favored 'General case' 0 C--O 1.184 -2.394 0 C-N-CA 125.781 1.633 . . . . 0.0 111.633 164.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.0 -37.89 12.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 118.698 -2.502 . . . . 0.0 110.458 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.97 -39.35 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 124.896 1.278 . . . . 0.0 110.919 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -53.9 -51.02 65.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 119.575 1.08 . . . . 0.0 113.097 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.33 6.46 0.78 Allowed 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.233 2.213 . . . . 0.0 115.953 172.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -109.64 -61.99 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.416 2.286 . . . . 0.0 110.774 156.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -33.39 64.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 123.754 2.979 . . . . 0.0 113.733 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.08 76.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.339 1.456 . . . . 0.0 113.072 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.648 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -70.82 -34.43 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.645 1.978 . . . . 0.0 110.872 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.6 mt -51.86 -46.82 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-N 121.344 1.884 . . . . 0.0 110.948 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -75.22 -44.69 44.84 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.331 1.452 . . . . 0.0 113.859 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.65 -43.04 17.42 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.72 -36.28 93.09 Favored Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 125.713 1.625 . . . . 0.0 112.849 163.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 62.35 3.35 Favored Glycine 0 C--O 1.213 -1.181 0 C-N-CA 127.04 2.257 . . . . 0.0 112.315 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -53.21 -43.47 67.23 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 120.172 1.986 . . . . 0.0 115.424 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -22.06 56.64 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.49 -15.66 7.63 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.51 -13.42 0.37 Allowed 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 127.391 2.277 . . . . 0.0 112.876 165.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.034 2.534 . . . . 0.0 110.446 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.17 -26.98 68.08 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.04 -12.21 60.4 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.648 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -104.53 -69.22 0.82 Allowed 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.282 -1.512 . . . . 0.0 110.106 150.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 mm -58.78 -27.74 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 127.456 2.302 . . . . 0.0 113.631 -157.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.55 32.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.799 -1.188 . . . . 0.0 111.793 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.75 85.99 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.049 1.34 . . . . 0.0 110.915 163.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -38.98 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 120.249 -1.532 . . . . 0.0 110.925 -168.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.65 64.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 120.938 1.699 . . . . 0.0 113.386 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.03 -39.44 12.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.36 1.864 . . . . 0.0 113.279 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.44 -31.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.661 1.985 . . . . 0.0 110.371 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.77 -53.45 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 O-C-N 120.213 -1.554 . . . . 0.0 111.383 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.42 -35.53 72.21 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.965 2.106 . . . . 0.0 113.106 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.38 -29.67 33.91 Favored 'General case' 0 C--O 1.205 -1.281 0 C-N-CA 124.879 1.271 . . . . 0.0 113.68 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.28 56.9 Favored Glycine 0 C--O 1.214 -1.097 0 C-N-CA 127.957 2.694 . . . . 0.0 111.438 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 29.35 24.47 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 126.181 1.848 . . . . 0.0 114.119 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -54.72 -29.4 53.34 Favored 'General case' 0 C--O 1.19 -2.036 0 C-N-CA 127.939 2.496 . . . . 0.0 114.531 -171.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.071 0 O-C-N 118.382 -2.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.92 6.16 1.14 Allowed 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 127.424 2.29 . . . . 0.0 117.064 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -62.09 -17.26 57.08 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 126.235 1.814 . . . . 0.0 114.694 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -11.79 0.65 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.866 2.067 . . . . 0.0 114.219 167.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.79 -87.79 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.414 2.286 . . . . 0.0 110.672 -165.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.543 -1.348 . . . . 0.0 113.878 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.1 55.91 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 115.115 175.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.48 -61.48 1.42 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.322 1.419 . . . . 0.0 110.345 156.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mm -65.72 -27.56 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.546 1.538 . . . . 0.0 112.204 -158.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -72.48 -40.01 67.27 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 121.214 -0.929 . . . . 0.0 112.61 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -39.87 80.55 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 123.735 0.647 . . . . 0.0 111.896 165.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' ILE . . . . . 0.404 HD12 ' HB1' ' C' ' 52' ' ' ALA 0.262 46.6 mt -79.1 -33.36 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-O 117.59 -1.195 . . . . 0.0 110.344 -166.237 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.82 -18.36 64.04 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 121.663 2.029 . . . . 0.0 114.217 171.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.37 -36.99 14.3 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 126.807 2.043 . . . . 0.0 113.152 171.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 22.0 mt -64.48 -35.38 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.748 2.019 . . . . 0.0 111.238 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 14.4 mt -57.32 -52.71 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.284 -2.135 . . . . 0.0 111.553 171.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -59.4 -38.14 79.8 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 125.654 1.582 . . . . 0.0 113.229 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.7 -35.72 60.21 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 113.778 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.84 -25.56 71.47 Favored Glycine 0 C--O 1.214 -1.101 0 C-N-CA 126.865 2.174 . . . . 0.0 113.976 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.49 41.94 35.0 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 118.592 1.196 . . . . 0.0 114.2 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.67 -24.69 67.89 Favored 'General case' 0 C--O 1.185 -2.329 0 C-N-CA 127.403 2.281 . . . . 0.0 113.264 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.439 0 O-C-N 118.849 -2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.73 20.2 2.87 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.429 1.492 . . . . 0.0 113.995 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -57.95 -43.3 86.3 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 124.896 1.278 . . . . 0.0 112.148 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -8.99 29.43 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.49 2.716 . . . . 0.0 114.528 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.82 12.25 15.61 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -156.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 -58.13 2.1 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 153.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.36 79.63 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 118.606 -2.559 . . . . 0.0 114.67 -166.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.0 44.66 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 121.417 0.627 . . . . 0.0 112.154 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 43.6 mm -69.18 -38.76 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.588 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.27 -30.43 64.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.685 1.194 . . . . 0.0 112.16 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -62.11 2.13 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 125.615 1.822 . . . . 0.0 111.462 159.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 tt -67.81 -41.91 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.87 -167.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.31 -18.06 65.13 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 120.769 1.622 . . . . 0.0 114.18 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.86 -44.1 11.33 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.347 1.459 . . . . 0.0 111.981 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 81' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' C' ' 52' ' ' ALA . 63.0 mt -64.71 -30.52 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 126.422 1.889 . . . . 0.0 110.418 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.22 -52.41 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 O-C-N 121.301 -0.874 . . . . 0.0 110.394 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -61.72 -45.81 92.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.0 66.91 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.95 -35.96 53.03 Favored Glycine 0 C--O 1.212 -1.224 0 C-N-CA 127.915 2.674 . . . . 0.0 112.097 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.21 5.73 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 124.971 1.272 . . . . 0.0 114.192 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -61.9 -29.24 70.07 Favored 'General case' 0 C--O 1.173 -2.921 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.494 0 O-C-N 118.182 -2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.176 -2.775 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.51 11.42 0.12 Allowed 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 130.564 3.546 . . . . 0.0 118.008 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -62.66 -21.72 65.92 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.53 -8.51 6.45 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.904 2.081 . . . . 0.0 113.537 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.289 . . -63.8 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.531 -169.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.13 62.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 120.841 1.655 . . . . 0.0 114.232 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.5 53.86 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -101.82 -65.49 0.98 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.496 0.665 . . . . 0.0 111.541 156.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mm -59.45 -30.14 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 124.367 1.067 . . . . 0.0 113.724 -160.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -42.04 63.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 123.368 0.667 . . . . 0.0 111.932 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.13 83.42 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.727 0.811 . . . . 0.0 111.17 166.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.68 -40.75 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 119.716 1.143 . . . . 0.0 110.711 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.77 -19.81 66.03 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 120.804 1.638 . . . . 0.0 114.573 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.79 -41.3 19.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.385 1.074 . . . . 0.0 112.532 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mt -67.43 -26.81 36.72 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 C-N-CA 127.497 2.319 . . . . 0.0 110.748 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.72 -50.72 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 O-C-N 120.287 -1.508 . . . . 0.0 111.976 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -62.95 -48.1 80.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.936 1.295 . . . . 0.0 113.556 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.99 -36.14 62.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.471 1.109 . . . . 0.0 113.434 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.87 97.12 Favored Glycine 0 C--O 1.211 -1.297 0 C-N-CA 126.164 1.84 . . . . 0.0 112.298 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.07 43.39 3.82 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 125.522 1.534 . . . . 0.0 113.622 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.7 -25.82 68.11 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 125.555 1.542 . . . . 0.0 114.956 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 O-C-N 119.556 -1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.99 151.43 47.67 Favored 'General case' 0 N--CA 1.396 -3.155 0 C-N-CA 128.879 2.872 . . . . 0.0 114.625 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -67.62 -11.41 58.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.39 -18.6 0.41 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 161.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.39 -86.98 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.899 1.679 . . . . 0.0 111.434 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.11 8.17 0.81 Allowed 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 -48.13 6.49 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 118.883 -2.386 . . . . 0.0 113.103 164.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.69 -37.15 15.76 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.782 -1.199 . . . . 0.0 111.072 -175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mm -60.4 -42.38 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -56.08 -49.38 73.96 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 123.338 0.655 . . . . 0.0 112.517 172.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.32 -0.06 4.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 171.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.277 0.3 OUTLIER -106.83 -57.1 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 126.685 1.994 . . . . 0.0 112.98 164.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.14 72.16 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 123.395 2.816 . . . . 0.0 113.775 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.3 86.81 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.535 1.134 . . . . 0.0 111.89 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.728 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.8 mp -74.24 -32.76 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 128.132 2.573 . . . . 0.0 110.249 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.56 -49.72 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 121.024 1.738 . . . . 0.0 110.163 170.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -72.67 -46.47 53.69 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.701 1.601 . . . . 0.0 112.28 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 -39.55 31.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 120.561 -1.337 . . . . 0.0 112.627 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 -43.7 92.75 Favored Glycine 0 C--O 1.197 -2.213 0 C-N-CA 125.08 1.324 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.84 51.53 2.82 Favored Glycine 0 C--O 1.208 -1.511 0 C-N-CA 125.905 1.717 . . . . 0.0 115.319 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -59.31 -29.18 67.43 Favored 'General case' 0 C--O 1.17 -3.126 0 O-C-N 120.31 -1.7 . . . . 0.0 114.554 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.788 0 CA-C-N 120.897 1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.85 61.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.58 -9.61 6.32 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.348 1.859 . . . . 0.0 115.771 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.44 -11.05 0.17 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.581 1.952 . . . . 0.0 114.873 158.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.72 -79.44 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.678 2.391 . . . . 0.0 111.718 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.9 11.3 1.45 Allowed 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 119.902 -1.749 . . . . 0.0 114.391 -170.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.85 -55.45 3.63 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.465 1.906 . . . . 0.0 111.626 158.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.41 18.32 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.009 0.923 . . . . 0.0 111.283 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 124.7 1.2 . . . . 0.0 111.959 171.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.94 -40.35 97.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.2 49.66 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.109 0.964 . . . . 0.0 112.467 163.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -41.42 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 118.748 -2.47 . . . . 0.0 112.02 -171.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.36 -21.8 66.24 Favored 'General case' 0 C--O 1.21 -1.012 0 O-C-N 119.942 -1.724 . . . . 0.0 113.0 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.55 -41.74 13.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.849 -1.157 . . . . 0.0 112.963 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 52.8 mt -62.35 -32.73 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.807 1.643 . . . . 0.0 111.459 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.78 -50.82 78.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 O-C-N 120.443 -1.41 . . . . 0.0 110.0 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.75 -40.29 83.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.063 1.745 . . . . 0.0 113.746 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.08 -38.11 61.38 Favored 'General case' 0 C--O 1.194 -1.821 0 C-N-CA 125.501 1.52 . . . . 0.0 114.015 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.28 90.96 Favored Glycine 0 C--O 1.211 -1.318 0 C-N-CA 127.797 2.617 . . . . 0.0 113.483 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.38 32.27 20.07 Favored Glycine 0 C--O 1.2 -2.03 0 C-N-CA 125.557 1.551 . . . . 0.0 113.597 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -54.02 -21.84 9.2 Favored 'General case' 0 C--O 1.176 -2.783 0 C-N-CA 130.197 3.399 . . . . 0.0 115.074 -170.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.278 -2.515 0 O-C-N 118.027 -2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -23.65 14.83 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.2 -8.66 2.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -1.85 0.17 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.717 1.607 . . . . 0.0 114.657 165.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.29 1.67 13.07 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -167.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.36 -34.25 5.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 120.268 -1.52 . . . . 0.0 111.041 154.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -11.14 30.74 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.638 1.975 . . . . 0.0 115.854 -175.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.53 -54.87 2.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 119.672 1.124 . . . . 0.0 112.542 152.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.35 -33.05 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 125.316 1.447 . . . . 0.0 113.832 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -73.33 -35.95 66.11 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 112.06 -173.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.82 73.41 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.548 0.69 . . . . 0.0 111.798 161.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.86 -38.47 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 O-C-N 119.705 -1.872 . . . . 0.0 112.35 -166.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.96 62.28 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 120.267 -1.521 . . . . 0.0 114.603 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.64 -38.92 11.09 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.935 2.094 . . . . 0.0 110.829 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.48 -36.69 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.703 2.401 . . . . 0.0 110.03 172.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt -59.75 -51.9 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 124.288 1.035 . . . . 0.0 112.045 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -55.86 -41.76 74.84 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.901 1.281 . . . . 0.0 112.767 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.58 -31.8 60.11 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.545 1.938 . . . . 0.0 113.102 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.18 45.55 Favored Glycine 0 C--O 1.191 -2.542 0 C-N-CA 128.814 3.102 . . . . 0.0 111.78 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 14.65 31.78 Favored Glycine 0 N--CA 1.421 -2.307 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -50.1 119.74 3.87 Favored 'General case' 1 C--O 1.138 -4.776 0 C-N-CA 125.28 1.432 . . . . 0.0 111.741 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.242 -4.087 0 O-C-N 116.988 -3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.165 -3.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.55 -54.07 42.64 Favored 'General case' 0 N--CA 1.394 -3.229 0 C-N-CA 127.64 2.376 . . . . 0.0 115.207 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.36 -34.7 36.27 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 120.587 -1.321 . . . . 0.0 114.166 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.85 24.67 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.988 2.515 . . . . 0.0 113.709 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.286 . . -65.59 -82.34 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.923 1.689 . . . . 0.0 112.043 -165.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -61.13 -14.05 21.79 Favored 'General case' 1 C--O 1.133 -5.052 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 178.513 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -20.9 61.03 Favored 'General case' 1 C--O 1.152 -4.07 0 O-C-N 118.327 -2.733 . . . . 0.0 113.295 169.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.3 -49.98 2.93 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 122.637 2.471 . . . . 0.0 112.015 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -65.79 -34.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 C-N-CA 125.098 1.359 . . . . 0.0 112.537 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 9.7 tmtt? -71.68 -35.14 70.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.832 0.742 . . . . 0.0 110.694 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -55.15 31.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.579 1.552 . . . . 0.0 111.508 161.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.21 -40.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 120.787 -1.195 . . . . 0.0 110.718 -165.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.25 64.8 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.81 -40.76 12.93 Favored 'General case' 0 C--O 1.203 -1.359 0 C-N-CA 124.402 1.081 . . . . 0.0 112.757 168.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' B' ' 30' ' ' ALA . 60.0 mt -67.16 -30.53 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 C-N-CA 127.285 2.234 . . . . 0.0 112.486 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 37.3 mt -56.91 -46.6 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.091 -2.256 . . . . 0.0 111.599 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -73.78 -41.68 62.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.853 1.661 . . . . 0.0 112.99 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.33 -43.43 12.89 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.32 99.17 Favored Glycine 0 C--O 1.205 -1.709 0 C-N-CA 128.033 2.73 . . . . 0.0 110.361 166.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.1 53.33 2.54 Favored Glycine 0 C--O 1.187 -2.838 0 C-N-CA 126.818 2.152 . . . . 0.0 114.622 167.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 76.2 m-85 -59.82 144.54 48.28 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 118.809 1.305 . . . . 0.0 111.87 166.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 118.297 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -14.34 9.72 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.871 2.175 . . . . 0.0 116.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.0 -20.26 66.41 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 121.825 2.102 . . . . 0.0 112.94 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.34 -9.78 1.73 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.313 1.445 . . . . 0.0 112.924 -170.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.21 23.06 0.09 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.955 1.302 . . . . 0.0 113.622 -170.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.59 -22.24 10.39 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 131.752 4.021 . . . . 0.0 112.776 169.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -109.55 -55.57 2.41 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 125.203 1.401 . . . . 0.0 110.439 171.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -48.41 -36.59 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 128.142 2.577 . . . . 0.0 111.181 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 17.8 ptmt -50.96 -61.49 2.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.628 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -67.71 11.53 0.13 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 130.443 3.497 . . . . 0.0 114.11 170.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.69 -53.3 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 116.851 -1.547 . . . . 0.0 109.776 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.58 68.47 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 123.597 2.908 . . . . 0.0 115.221 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.82 68.96 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 125.2 1.4 . . . . 0.0 112.106 169.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.65 -35.12 59.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 128.056 2.542 . . . . 0.0 111.288 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.37 -54.12 24.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 120.493 -1.379 . . . . 0.0 111.765 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -57.86 -42.73 85.13 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 124.177 0.991 . . . . 0.0 113.652 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.7 -35.27 62.73 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.72 63.17 Favored Glycine 0 C--O 1.198 -2.148 0 C-N-CA 128.59 2.995 . . . . 0.0 114.37 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.27 39.09 9.36 Favored Glycine 0 C--O 1.198 -2.134 0 CA-C-N 119.585 1.693 . . . . 0.0 115.047 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -61.97 -22.89 66.03 Favored 'General case' 0 C--O 1.181 -2.503 0 C-N-CA 126.328 1.851 . . . . 0.0 115.56 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.685 0 O-C-N 116.764 -3.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -3.75 1.38 Allowed 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.716 1.607 . . . . 0.0 114.496 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.73 -29.19 64.55 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 120.76 1.618 . . . . 0.0 112.796 163.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.96 -5.46 9.5 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.917 2.087 . . . . 0.0 114.432 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . 0.299 . . -64.6 -87.86 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.115 1.766 . . . . 0.0 112.686 -164.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.91 -22.53 65.66 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.99 -4.33 16.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 115.413 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -122.21 -57.59 1.76 Allowed 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.866 0.866 . . . . 0.0 111.222 162.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.56 -26.21 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 112.461 -167.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -37.01 57.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.243 -1.535 . . . . 0.0 111.696 -174.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.43 78.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 162.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -69.31 -37.96 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 118.175 -0.916 . . . . 0.0 108.674 -170.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.73 63.64 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 121.245 1.839 . . . . 0.0 115.661 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.27 -40.77 10.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 111.07 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.2 -34.37 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 C-N-CA 128.563 2.745 . . . . 0.0 108.908 168.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -51.2 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 120.148 1.34 . . . . 0.0 111.504 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -59.12 -38.47 79.67 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 126.907 2.083 . . . . 0.0 112.253 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.08 70.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 125.942 1.697 . . . . 0.0 113.432 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.55 -24.94 73.95 Favored Glycine 0 C--O 1.205 -1.676 0 C-N-CA 128.542 2.972 . . . . 0.0 115.02 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 18.34 71.69 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 116.658 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' TYR . . . . . 0.421 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 6.0 m-85 -51.74 -25.54 7.65 Favored 'General case' 0 C--O 1.179 -2.608 0 C-N-CA 127.714 2.406 . . . . 0.0 115.972 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.265 -3.065 0 O-C-N 118.371 -2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.921 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.84 -30.21 26.67 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.92 -42.08 27.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.675 1.59 . . . . 0.0 113.833 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 70' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -44.71 -37.24 3.59 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 127.16 2.184 . . . . 0.0 111.295 162.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.43 5.51 17.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.317 1.847 . . . . 0.0 113.724 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.58 -52.65 2.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 119.365 -2.084 . . . . 0.0 112.668 147.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.47 56.45 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 127.816 2.446 . . . . 0.0 115.073 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.31 -45.21 10.22 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-O 123.018 1.39 . . . . 0.0 111.636 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 37.6 mm -55.46 -45.22 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 C-N-CA 124.96 1.304 . . . . 0.0 113.88 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -62.89 -37.61 87.6 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.527 1.531 . . . . 0.0 113.905 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.25 27.42 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.806 0.691 . . . . 0.0 110.139 163.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -42.9 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 119.831 -1.793 . . . . 0.0 112.727 -167.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -14.1 62.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.7 -38.63 11.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.571 1.549 . . . . 0.0 112.17 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 81' ' ' ILE . . . . . 0.432 HG21 ' HB2' ' C' ' 52' ' ' ALA . 66.1 mt -68.2 -32.51 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 126.419 1.888 . . . . 0.0 109.818 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -57.71 -50.16 78.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 120.526 1.512 . . . . 0.0 111.9 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -67.15 -34.58 77.88 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.246 2.218 . . . . 0.0 114.535 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.68 -41.55 26.61 Favored 'General case' 0 C--O 1.195 -1.804 0 C-N-CA 125.94 1.696 . . . . 0.0 113.773 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.78 -34.18 88.03 Favored Glycine 0 C--O 1.21 -1.35 0 C-N-CA 127.166 2.317 . . . . 0.0 113.958 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.63 39.84 39.84 Favored Glycine 0 C--O 1.203 -1.788 0 C-N-CA 127.104 2.287 . . . . 0.0 113.052 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -47.52 -35.04 8.29 Favored 'General case' 0 C--O 1.193 -1.91 0 C-N-CA 128.415 2.686 . . . . 0.0 115.761 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.276 -2.615 0 O-C-N 117.767 -3.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.14 24.95 5.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 127.16 2.184 . . . . 0.0 114.101 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.62 -32.16 66.97 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -18.3 6.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 124.775 1.23 . . . . 0.0 113.472 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.89 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 124.703 1.201 . . . . 0.0 111.153 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.98 9.68 0.37 Allowed 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.182 -1.574 . . . . 0.0 114.85 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.76 -58.0 2.98 Favored 'General case' 0 C--O 1.207 -1.136 0 O-C-N 120.631 -1.293 . . . . 0.0 112.204 156.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 -41.74 14.2 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.341 -2.1 . . . . 0.0 110.772 -168.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.52 -44.16 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.408 1.483 . . . . 0.0 111.951 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.86 -40.51 95.6 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.39 78.22 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 111.698 166.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.42 HD12 HG13 ' B' ' 34' ' ' ILE 0.292 0.4 OUTLIER -64.09 -44.04 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 O-C-N 119.647 -1.908 . . . . 0.0 110.239 -174.031 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.09 -20.33 65.87 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.236 -2.165 . . . . 0.0 114.034 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.53 -40.74 17.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 124.649 1.18 . . . . 0.0 113.01 170.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.25 -32.62 59.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 125.44 1.496 . . . . 0.0 112.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.1 mt -60.27 -54.76 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.766 1.626 . . . . 0.0 111.989 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -54.59 -39.72 68.13 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 127.361 2.264 . . . . 0.0 113.243 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.13 -25.01 32.33 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.04 -25.43 52.27 Favored Glycine 0 C--O 1.196 -2.223 0 C-N-CA 129.116 3.246 . . . . 0.0 116.305 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.04 53.42 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 118.745 1.272 . . . . 0.0 114.434 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -53.58 -42.48 67.64 Favored 'General case' 0 C--O 1.181 -2.511 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.003 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -1.803 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 55.86 -4.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 129.461 3.104 . . . . 0.0 118.669 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -70.46 -12.05 61.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 121.301 1.864 . . . . 0.0 114.691 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.59 -4.99 0.48 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 127.753 2.421 . . . . 0.0 113.683 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -84.45 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.87 2.468 . . . . 0.0 113.696 -172.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.98 13.31 0.89 Allowed 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.838 -1.164 . . . . 0.0 112.083 -174.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.85 -1.74 33.95 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 119.446 -2.034 . . . . 0.0 113.966 164.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.4 -43.06 1.04 Allowed 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 164.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -31.15 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 120.709 -1.244 . . . . 0.0 111.391 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -71.09 -38.7 72.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.911 1.232 . . . . 0.0 111.817 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.85 79.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 123.127 0.571 . . . . 0.0 111.712 165.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.42 HG13 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.52 -45.2 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 117.69 -1.148 . . . . 0.0 111.072 -172.649 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . 0.251 . . -69.91 -1.75 10.44 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 121.33 1.877 . . . . 0.0 114.905 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.38 -41.14 7.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 127.367 2.267 . . . . 0.0 112.627 165.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.6 -26.46 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 126.728 2.011 . . . . 0.0 112.107 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CD1' ' B' ' 43' ' ' TYR . 4.6 mm -53.26 -64.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 126.314 1.846 . . . . 0.0 110.062 165.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.41 -42.31 95.69 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 126.918 2.087 . . . . 0.0 113.53 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.51 -32.33 25.97 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.689 1.596 . . . . 0.0 113.066 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -30.16 76.48 Favored Glycine 0 C--O 1.202 -1.879 0 C-N-CA 127.345 2.402 . . . . 0.0 112.729 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.08 47.75 22.79 Favored Glycine 0 C--O 1.202 -1.883 0 CA-C-N 119.502 1.651 . . . . 0.0 112.227 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 2.0 m-85 -53.69 -33.9 56.97 Favored 'General case' 1 C--O 1.148 -4.247 0 C-N-CA 127.15 2.18 . . . . 0.0 116.727 -174.077 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.938 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.623 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.85 -27.97 46.32 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 126.979 2.111 . . . . 0.0 115.113 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.53 -12.5 6.54 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.884 1.673 . . . . 0.0 114.89 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.89 -9.13 0.21 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.688 1.595 . . . . 0.0 115.128 162.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.03 -87.35 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.428 3.091 . . . . 0.0 112.478 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.12 68.47 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.32 -13.27 17.99 Favored 'General case' 0 C--O 1.19 -2.069 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -109.19 -61.14 1.67 Allowed 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 126.163 1.785 . . . . 0.0 110.574 157.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 35.4 mm -60.8 -27.62 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 114.183 -163.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.03 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.368 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.13 94.82 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.879 0.872 . . . . 0.0 111.968 162.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -77.87 -37.09 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.37 -164.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -22.12 66.78 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 121.146 1.794 . . . . 0.0 113.057 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.39 -40.2 18.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.307 1.843 . . . . 0.0 112.607 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.41 -32.16 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 125.291 1.437 . . . . 0.0 111.992 171.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.23 -51.09 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.971 1.308 . . . . 0.0 111.198 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.89 -40.81 73.52 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 125.666 1.586 . . . . 0.0 112.274 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.26 63.25 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 124.566 1.147 . . . . 0.0 112.73 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.13 72.14 Favored Glycine 0 C--O 1.17 -3.894 0 C-N-CA 128.984 3.183 . . . . 0.0 116.503 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.54 22.63 69.53 Favored Glycine 0 C--N 1.301 -1.368 0 CA-C-N 121.668 2.734 . . . . 0.0 116.238 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -53.31 -31.54 44.59 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 128.082 2.553 . . . . 0.0 115.627 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.029 0 O-C-N 119.463 -2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.43 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.78 28.95 0.89 Allowed 'General case' 0 C--O 1.2 -1.549 0 C-N-CA 129.184 2.994 . . . . 0.0 115.889 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -67.4 -23.86 65.61 Favored 'General case' 0 N--CA 1.44 -0.975 0 O-C-N 118.769 -2.457 . . . . 0.0 112.461 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -3.84 0.16 Allowed 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.45 9.92 12.14 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -163.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.1 -51.94 2.8 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 118.061 0.392 . . . . 0.0 111.223 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.19 94.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.326 1.451 . . . . 0.0 114.771 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.44 -41.22 56.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.68 0.752 . . . . 0.0 110.668 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.59 -39.97 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 124.894 1.278 . . . . 0.0 111.997 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -63.18 -39.45 94.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.402 1.881 . . . . 0.0 112.736 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.93 0.892 . . . . 0.0 110.285 163.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -43.43 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 O-C-N 120.668 -1.27 . . . . 0.0 112.747 -167.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.38 68.0 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 121.619 2.009 . . . . 0.0 113.761 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.57 30.79 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 120.364 -1.46 . . . . 0.0 112.55 171.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 81' ' ' ILE . . . . . 0.741 HG21 ' HB2' ' C' ' 52' ' ' ALA . 59.8 mt -66.93 -36.29 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 127.09 2.156 . . . . 0.0 111.088 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mt -52.5 -50.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 120.891 -1.131 . . . . 0.0 111.347 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -70.3 -40.89 73.96 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 113.46 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.65 59.45 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.407 1.483 . . . . 0.0 112.215 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.54 64.81 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 128.527 2.965 . . . . 0.0 113.83 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.84 43.28 10.14 Favored Glycine 0 C--O 1.193 -2.435 0 C-N-CA 125.153 1.358 . . . . 0.0 114.101 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -51.96 -34.63 43.04 Favored 'General case' 0 C--O 1.179 -2.607 0 C-N-CA 126.067 1.747 . . . . 0.0 115.034 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.272 -2.791 0 O-C-N 118.901 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.876 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.15 -16.28 1.96 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.798 2.147 . . . . 0.0 116.798 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.1 -8.22 3.25 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 127.546 2.339 . . . . 0.0 115.599 171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -5.23 0.21 Allowed 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 120.439 -1.413 . . . . 0.0 114.588 159.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.35 -84.12 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.154 2.181 . . . . 0.0 112.573 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.55 68.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.48 1.037 . . . . 0.0 113.767 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.11 65.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 120.416 -1.428 . . . . 0.0 114.531 173.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.3 -63.16 1.2 Allowed 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.789 0.835 . . . . 0.0 112.178 165.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.36 -30.44 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.979 2.512 . . . . 0.0 113.758 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.27 -37.55 60.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.85 80.75 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 160.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.73 -37.36 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 120.771 -1.206 . . . . 0.0 111.587 -167.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.92 63.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 172.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.44 -30.64 12.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.178 1.391 . . . . 0.0 111.795 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.35 -36.94 78.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 C-N-CA 128.188 2.595 . . . . 0.0 109.251 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 7.2 mt -55.14 -53.92 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 120.041 1.292 . . . . 0.0 111.913 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -58.95 -35.97 74.03 Favored 'General case' 0 C--O 1.18 -2.556 0 C-N-CA 127.555 2.342 . . . . 0.0 113.768 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.1 40.48 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 125.645 1.578 . . . . 0.0 114.957 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.98 75.59 Favored Glycine 0 C--O 1.183 -3.091 0 C-N-CA 128.445 2.926 . . . . 0.0 112.722 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.14 25.79 36.01 Favored Glycine 0 C--O 1.196 -2.25 0 CA-C-N 119.684 1.742 . . . . 0.0 117.402 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 9.7 m-85 -59.28 -21.39 59.57 Favored 'General case' 0 C--O 1.166 -3.32 0 C-N-CA 127.19 2.196 . . . . 0.0 115.111 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.246 -3.922 0 O-C-N 120.283 -1.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -1.952 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.73 152.56 24.64 Favored 'General case' 0 C--N 1.249 -3.781 0 C-N-CA 128.705 2.802 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.39 -22.05 66.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.274 1.43 . . . . 0.0 113.666 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.77 -8.64 0.98 Allowed 'General case' 0 N--CA 1.427 -1.578 0 C-N-CA 125.201 1.401 . . . . 0.0 113.66 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.85 -85.16 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.656 1.982 . . . . 0.0 111.475 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.07 10.91 1.03 Allowed 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -169.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.15 -59.42 2.26 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 127.498 2.319 . . . . 0.0 110.723 162.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.92 -35.32 24.15 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 111.216 -170.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.06 -39.18 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 124.397 1.079 . . . . 0.0 110.829 173.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -61.01 -45.43 94.84 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 120.937 -1.102 . . . . 0.0 112.068 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.45 13.39 0.09 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.914 2.085 . . . . 0.0 116.206 167.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mm -122.03 -60.22 2.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 129.016 2.926 . . . . 0.0 108.99 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.14 67.68 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 118.323 -2.736 . . . . 0.0 115.147 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 -36.62 19.98 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 125.317 1.447 . . . . 0.0 113.669 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.36 -36.18 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 127.301 2.241 . . . . 0.0 111.602 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.37 -49.01 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 120.425 -1.422 . . . . 0.0 110.743 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -53.41 -44.59 68.86 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.089 0.955 . . . . 0.0 112.124 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.63 -31.04 29.02 Favored 'General case' 0 C--O 1.201 -1.5 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.78 -35.5 58.58 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.292 2.853 . . . . 0.0 113.771 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.65 41.13 57.68 Favored Glycine 0 N--CA 1.437 -1.235 0 C-N-CA 123.68 0.657 . . . . 0.0 112.761 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.42 -27.4 62.37 Favored 'General case' 0 C--O 1.173 -2.932 0 C-N-CA 126.981 2.113 . . . . 0.0 115.732 -173.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.266 -3.056 0 O-C-N 118.184 -2.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.176 -2.794 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.61 -44.52 5.81 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 126.12 1.768 . . . . 0.0 114.193 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.37 -60.26 0.22 Allowed 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.67 66.02 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 125.08 1.352 . . . . 0.0 110.696 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -83.82 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.249 1.42 . . . . 0.0 111.38 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.43 6.52 1.02 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.4 -55.14 3.78 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 127.849 2.46 . . . . 0.0 110.598 164.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.5 -35.94 24.48 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 120.824 -1.172 . . . . 0.0 112.472 -171.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.2 -37.46 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 123.795 0.838 . . . . 0.0 112.504 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -65.08 -38.08 89.6 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 125.517 1.527 . . . . 0.0 110.765 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.748 0.819 . . . . 0.0 111.265 165.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.4 -42.41 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 O-C-N 120.713 -1.242 . . . . 0.0 111.978 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.42 67.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.381 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.34 -45.54 14.77 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.737 2.015 . . . . 0.0 112.873 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.54 -34.15 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 125.913 1.685 . . . . 0.0 112.096 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -51.17 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 124.414 1.086 . . . . 0.0 111.291 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.07 -45.2 95.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.283 1.833 . . . . 0.0 113.795 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.34 77.89 Favored 'General case' 0 C--O 1.211 -0.971 0 C-N-CA 123.665 0.786 . . . . 0.0 112.772 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.45 -32.82 59.35 Favored Glycine 0 C--O 1.205 -1.702 0 C-N-CA 127.332 2.396 . . . . 0.0 112.79 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.36 25.28 26.51 Favored Glycine 0 C--O 1.22 -0.78 0 O-C-N 119.4 -2.236 . . . . 0.0 115.115 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.73 -29.59 69.47 Favored 'General case' 0 C--O 1.174 -2.875 0 C-N-CA 125.79 1.636 . . . . 0.0 114.824 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.402 0 O-C-N 119.371 -2.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.828 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.6 -41.56 66.75 Favored 'General case' 0 C--O 1.184 -2.392 0 C-N-CA 126.964 2.106 . . . . 0.0 116.347 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -108.19 -24.71 11.41 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 127.305 2.242 . . . . 0.0 114.035 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.72 -34.98 1.01 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 126.231 1.812 . . . . 0.0 111.334 164.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.12 -1.41 40.08 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.59 -55.65 2.36 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 120.297 -1.502 . . . . 0.0 112.111 150.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.28 -37.75 62.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 128.09 2.556 . . . . 0.0 114.705 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -45.83 17.46 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.26 1.028 . . . . 0.0 109.909 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.7 -39.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.844 1.658 . . . . 0.0 112.339 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.11 -36.43 72.16 Favored 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 126.466 1.906 . . . . 0.0 113.248 -173.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.23 53.83 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 124.038 0.935 . . . . 0.0 111.426 160.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.96 -41.12 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 121.439 -0.788 . . . . 0.0 112.159 -165.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.19 69.05 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 119.712 -1.868 . . . . 0.0 114.415 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.91 34.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 120.877 -1.139 . . . . 0.0 112.022 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.69 -36.5 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.162 2.585 . . . . 0.0 110.978 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -55.24 -53.39 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.533 1.533 . . . . 0.0 110.973 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -61.85 -40.85 96.79 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 127.05 2.14 . . . . 0.0 112.271 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.55 -36.54 32.91 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 123.634 0.774 . . . . 0.0 111.212 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.33 -39.4 97.18 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 127.963 2.697 . . . . 0.0 114.535 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.24 9.23 Favored Glycine 0 C--O 1.202 -1.901 0 CA-C-O 118.774 -1.015 . . . . 0.0 115.382 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -56.21 120.37 7.45 Favored 'General case' 0 C--O 1.177 -2.758 0 CA-C-O 122.876 1.322 . . . . 0.0 110.916 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.474 0 O-C-N 118.831 -2.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.25 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.21 -6.62 24.5 Favored 'General case' 0 C--O 1.178 -2.71 0 C-N-CA 127.016 2.127 . . . . 0.0 115.959 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -50.03 -40.81 45.98 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.604 -1.935 . . . . 0.0 114.668 164.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.27 -12.75 22.36 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.615 2.766 . . . . 0.0 114.512 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.341 . . -66.11 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -161.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.97 -27.78 54.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.06 -17.12 63.08 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.794 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -105.55 -64.85 1.1 Allowed 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.6 -1.312 . . . . 0.0 111.093 154.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.9 mm -59.21 -31.96 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 124.474 1.11 . . . . 0.0 113.597 -162.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -73.98 -36.82 64.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 120.298 1.408 . . . . 0.0 113.439 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -43.86 67.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.304 0.642 . . . . 0.0 111.088 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.2 mm -72.82 -38.95 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 O-C-N 119.559 -1.963 . . . . 0.0 110.86 -167.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.28 66.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.88 -42.34 13.29 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 111.918 173.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.9 mt -58.12 -39.66 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.587 1.955 . . . . 0.0 110.882 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.6 -52.51 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.041 1.336 . . . . 0.0 113.033 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 3.7 tppt? -60.5 -36.54 78.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.716 0.806 . . . . 0.0 112.109 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -24.96 43.45 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 171.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.98 -34.01 59.16 Favored Glycine 0 C--O 1.207 -1.558 0 C-N-CA 128.014 2.721 . . . . 0.0 113.38 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.57 13.74 62.65 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 118.597 1.199 . . . . 0.0 115.444 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.17 -33.35 57.84 Favored 'General case' 0 C--O 1.203 -1.393 0 C-N-CA 126.513 1.925 . . . . 0.0 113.22 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.449 0 O-C-N 119.064 -2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -12.68 8.92 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.54 -8.88 10.75 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.014 -1.679 . . . . 0.0 114.944 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.03 -4.7 0.35 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 161.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.88 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.09 0.79 4.2 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -165.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.95 -52.11 5.65 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 118.35 -2.719 . . . . 0.0 112.225 164.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.07 -39.02 21.73 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.96 -37.37 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 127.339 2.256 . . . . 0.0 110.984 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -63.82 -45.65 88.64 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.884 0.874 . . . . 0.0 111.118 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 5.01 1.02 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.873 2.069 . . . . 0.0 115.889 165.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.03 -56.23 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 125.728 1.611 . . . . 0.0 112.238 167.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.58 -26.68 68.72 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 121.943 2.156 . . . . 0.0 113.559 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.67 -40.77 63.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.163 1.385 . . . . 0.0 114.173 168.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.794 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.7 mp -72.6 -33.0 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.986 2.114 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.11 -52.75 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 O-C-N 120.09 -1.631 . . . . 0.0 110.617 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -65.03 -42.23 94.52 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.222 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.29 -36.19 54.44 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 125.933 1.693 . . . . 0.0 113.823 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.6 -33.96 33.02 Favored Glycine 0 N--CA 1.434 -1.468 0 C-N-CA 127.111 2.291 . . . . 0.0 111.309 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.77 50.32 6.55 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 119.422 1.611 . . . . 0.0 116.015 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' C' ' 53' ' ' ILE . 8.0 m-85 -56.39 -19.4 14.7 Favored 'General case' 0 C--O 1.184 -2.36 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.235 0 O-C-N 119.277 -2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -3.32 1.22 Allowed 'General case' 1 N--CA 1.363 -4.818 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.23 -12.96 6.16 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.888 1.675 . . . . 0.0 114.429 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -1.48 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 162.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.96 -93.54 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.068 2.947 . . . . 0.0 111.721 -171.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.06 52.24 Favored 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -106.23 -61.61 1.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 120.85 -1.156 . . . . 0.0 109.506 165.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' B' ' 43' ' ' TYR . 32.1 mm -61.49 -30.83 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.405 1.482 . . . . 0.0 113.215 -165.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -36.37 69.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.425 -1.422 . . . . 0.0 110.884 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.98 82.08 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.389 1.076 . . . . 0.0 113.567 162.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.63 -34.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.098 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.79 66.21 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 121.72 2.054 . . . . 0.0 114.281 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 -36.38 17.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.358 1.463 . . . . 0.0 113.547 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 36.6 mt -62.85 -33.81 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.592 1.957 . . . . 0.0 111.169 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.25 -46.02 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 O-C-N 120.113 -1.617 . . . . 0.0 112.574 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -60.23 -39.59 87.25 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.499 1.92 . . . . 0.0 114.169 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.01 -42.56 57.2 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 112.628 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.52 -34.67 76.74 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 126.663 2.078 . . . . 0.0 115.807 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.56 32.97 17.64 Favored Glycine 0 C--O 1.215 -1.085 0 C-N-CA 125.144 1.355 . . . . 0.0 114.923 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' TYR . . . . . 0.419 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 4.9 m-85 -63.12 -16.51 60.25 Favored 'General case' 0 C--O 1.175 -2.84 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -173.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.403 0 O-C-N 117.802 -3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.02 -42.77 69.1 Favored 'General case' 0 N--CA 1.425 -1.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.86 -36.18 50.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.932 0.893 . . . . 0.0 112.503 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -46.04 -35.41 4.82 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.2 1.8 . . . . 0.0 112.454 166.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.64 3.46 32.76 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.149 1.78 . . . . 0.0 114.468 -171.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.24 -56.41 2.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 O-C-N 120.77 -1.206 . . . . 0.0 111.476 152.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.18 72.76 Favored 'General case' 0 C--O 1.196 -1.723 0 C-N-CA 126.301 1.84 . . . . 0.0 113.392 -168.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -39.68 21.55 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 119.762 1.164 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.7 mm -62.08 -43.7 98.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 124.121 0.968 . . . . 0.0 111.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -66.33 -37.27 84.96 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.496 1.119 . . . . 0.0 112.604 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.93 -60.15 4.0 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 123.85 0.719 . . . . 0.0 111.397 161.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.256 0.4 OUTLIER -68.49 -41.75 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 O-C-N 118.875 -2.391 . . . . 0.0 111.74 -166.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.43 65.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 120.96 1.709 . . . . 0.0 114.035 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.99 -45.5 15.25 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 126.073 1.749 . . . . 0.0 112.459 169.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 81' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' C' ' 52' ' ' ALA . 53.7 mt -66.12 -26.69 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 126.27 1.828 . . . . 0.0 111.698 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 39.0 mt -61.04 -50.12 81.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 120.149 -1.595 . . . . 0.0 111.703 171.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -69.99 -42.01 73.64 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.289 1.035 . . . . 0.0 113.008 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.13 -36.91 69.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 123.19 1.472 . . . . 0.0 114.048 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.45 65.74 Favored Glycine 0 C--O 1.204 -1.739 0 C-N-CA 129.171 3.272 . . . . 0.0 111.003 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.58 50.81 7.74 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 115.472 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 87' ' ' TYR . . . . . 0.403 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 8.7 m-85 -57.88 -26.89 62.72 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.986 0 O-C-N 120.669 -1.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.173 -2.947 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.331 . . 60.14 -125.31 1.09 Allowed 'General case' 0 N--CA 1.399 -2.993 1 C-N-CA 133.128 4.571 . . . . 0.0 115.712 . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -48.76 -51.74 27.47 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 128.337 2.655 . . . . 0.0 113.232 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' B' ' 41' ' ' GLY . . . -51.29 -28.57 12.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.053 1.741 . . . . 0.0 113.384 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.07 8.69 25.51 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -160.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.15 -58.26 2.18 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 124.576 1.15 . . . . 0.0 111.238 149.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.72 -43.46 47.72 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 127.507 2.323 . . . . 0.0 113.163 -171.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.13 -40.71 19.43 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 121.33 -0.856 . . . . 0.0 112.394 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -59.22 -42.35 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 123.872 0.869 . . . . 0.0 112.163 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.83 -55.02 40.56 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.875 2.07 . . . . 0.0 109.348 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 11.73 0.14 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 170.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.16 -64.56 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 127.644 2.378 . . . . 0.0 109.755 161.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -27.24 69.0 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 123.533 2.879 . . . . 0.0 113.027 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.31 57.18 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.122 0.969 . . . . 0.0 111.876 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.508 HG21 ' HB1' ' B' ' 30' ' ' ALA . 1.2 mp -63.66 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 127.157 2.183 . . . . 0.0 112.793 173.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.61 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 123.959 0.904 . . . . 0.0 109.3 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -47.79 82.85 Favored 'General case' 0 C--O 1.208 -1.117 0 C-N-CA 125.539 1.535 . . . . 0.0 112.5 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.99 17.0 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 124.039 0.936 . . . . 0.0 112.212 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.1 -33.35 83.1 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 127.703 2.573 . . . . 0.0 113.841 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 55.23 7.85 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.242 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -54.94 -25.49 29.84 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.213 0 O-C-N 119.6 -1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.434 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.29 -31.29 5.76 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.548 2.339 . . . . 0.0 116.258 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -65.81 -6.2 11.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 120.042 -1.661 . . . . 0.0 114.861 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 0.98 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 158.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.56 -81.29 0.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.463 1.505 . . . . 0.0 114.239 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.07 9.18 2.09 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 -162.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -52.93 5.7 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.001 1.72 . . . . 0.0 109.083 158.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 15' ' ' ILE . . . -80.55 -49.73 10.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.857 1.263 . . . . 0.0 109.826 -166.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mm -59.2 -36.92 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 128.322 2.649 . . . . 0.0 111.755 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -61.81 -51.43 68.3 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.954 0.901 . . . . 0.0 110.372 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 17.27 0.09 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.471 1.908 . . . . 0.0 115.149 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 mm -127.15 -51.41 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 C-N-CA 126.432 1.893 . . . . 0.0 112.308 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -27.04 68.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 122.153 2.251 . . . . 0.0 115.537 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.21 -44.94 51.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.359 1.463 . . . . 0.0 112.321 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.41 -34.63 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 127.507 2.323 . . . . 0.0 112.859 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.28 -49.94 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 125.291 1.437 . . . . 0.0 111.054 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.03 -40.37 75.23 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.351 2.26 . . . . 0.0 113.004 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.13 -30.16 60.72 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 126.085 1.754 . . . . 0.0 113.834 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 4' ' ' ALA . . . -80.04 -25.02 58.62 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 127.587 2.518 . . . . 0.0 113.796 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.05 38.46 11.24 Favored Glycine 0 C--O 1.195 -2.3 0 C-N-CA 124.755 1.169 . . . . 0.0 115.92 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TYR . . . . . 0.513 ' CE2' ' HB1' ' A' ' 4' ' ' ALA . 11.0 m-85 -61.03 18.7 0.01 OUTLIER 'General case' 1 C--O 0.645 -30.745 1 CA-C-O 134.435 6.826 . . . . 0.0 114.998 171.738 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 0.973 -15.783 2 O-C-N 79.358 -27.089 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -1.969 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.45 6.26 0.54 Allowed 'General case' 0 N--CA 1.416 -2.149 0 C-N-CA 127.912 2.485 . . . . 0.0 115.677 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -66.53 -16.96 64.54 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 119.736 -1.852 . . . . 0.0 113.92 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.72 -4.61 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 126.748 2.019 . . . . 0.0 114.664 167.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -93.18 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.559 2.344 . . . . 0.0 112.059 -169.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.91 63.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 121.274 1.852 . . . . 0.0 114.791 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.96 -24.34 62.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 119.778 -1.826 . . . . 0.0 114.492 172.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -97.85 -62.06 1.3 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.696 1.236 . . . . 0.0 110.767 162.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.06 -25.68 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 124.799 1.24 . . . . 0.0 112.215 -161.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -36.19 54.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 119.761 1.164 . . . . 0.0 110.86 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.75 73.33 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 161.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -67.11 -39.41 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 O-C-N 120.182 -1.574 . . . . 0.0 110.738 -171.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.14 -21.94 66.85 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.65 -37.02 17.12 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.08 -35.94 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 126.182 1.793 . . . . 0.0 110.578 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.69 -54.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 O-C-N 120.336 -1.477 . . . . 0.0 112.822 170.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -40.3 71.97 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 125.106 1.362 . . . . 0.0 111.846 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.73 -22.4 40.3 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 125.299 1.439 . . . . 0.0 112.713 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.32 -29.97 69.72 Favored Glycine 0 C--O 1.174 -3.642 0 C-N-CA 128.073 2.749 . . . . 0.0 114.258 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.84 16.31 58.31 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 119.652 1.726 . . . . 0.0 115.783 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -23.7 66.25 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 126.969 2.108 . . . . 0.0 115.418 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.052 0 CA-C-N 120.177 1.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.581 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.48 17.26 0.52 Allowed 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -69.49 -15.97 63.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.322 -1.486 . . . . 0.0 113.315 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.51 -0.99 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 129.546 3.138 . . . . 0.0 115.235 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.11 14.11 5.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.824 2.449 . . . . 0.0 115.597 -169.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.06 -58.25 2.05 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 119.551 -1.968 . . . . 0.0 110.233 151.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.63 51.9 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 128.737 2.815 . . . . 0.0 114.857 -169.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.79 25.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.423 0.63 . . . . 0.0 111.983 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 46.1 mm -71.19 -39.82 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 125.083 1.353 . . . . 0.0 111.18 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -66.11 -36.61 83.63 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 126.504 1.922 . . . . 0.0 114.078 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -64.04 0.96 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.593 0.757 . . . . 0.0 112.701 157.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.32 -43.13 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.165 -165.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.83 65.4 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.05 -37.43 17.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.037 1.335 . . . . 0.0 110.455 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 81' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' C' ' 52' ' ' ALA . 65.8 mt -70.12 -34.17 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 128.559 2.744 . . . . 0.0 110.469 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 36.4 mt -57.04 -54.65 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 119.643 1.11 . . . . 0.0 112.108 169.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -58.72 -41.45 86.4 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.102 1.361 . . . . 0.0 114.212 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.82 56.78 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.26 -19.38 72.1 Favored Glycine 0 C--O 1.216 -1.026 0 C-N-CA 128.218 2.818 . . . . 0.0 113.829 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.41 52.13 54.51 Favored Glycine 0 C--O 1.21 -1.389 0 CA-C-N 118.903 1.352 . . . . 0.0 113.678 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 87' ' ' TYR . . . . . 0.423 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 2.0 m-85 -60.81 -20.32 61.35 Favored 'General case' 0 C--O 1.183 -2.395 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -171.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.315 0 O-C-N 118.365 -2.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.941 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.24 20.09 0.08 Allowed 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.734 2.814 . . . . 0.0 118.071 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.26 -21.45 59.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 119.06 -2.275 . . . . 0.0 115.441 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.99 -7.48 0.48 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.463 2.305 . . . . 0.0 114.473 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.264 . . -54.32 -89.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.239 2.616 . . . . 0.0 113.829 -177.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 36.29 0.39 Allowed 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.086 -1.634 . . . . 0.0 112.761 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.3 -39.03 3.45 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 131.523 3.929 . . . . 0.0 111.185 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.03 -45.36 5.43 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 125.763 1.625 . . . . 0.0 110.993 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -60.62 -33.23 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 124.646 1.178 . . . . 0.0 111.088 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' ALA . 25.5 pttt -57.18 -56.69 18.48 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.849 0.749 . . . . 0.0 112.027 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . . . -52.24 -48.08 65.38 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.722 -2.035 . . . . 0.0 111.511 170.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -42.38 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.152 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -18.84 65.57 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 121.408 1.913 . . . . 0.0 113.986 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.16 -43.5 14.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.847 1.259 . . . . 0.0 112.446 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.09 -28.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 126.939 2.096 . . . . 0.0 109.259 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.78 -52.32 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 120.787 1.63 . . . . 0.0 110.819 170.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -65.29 -43.58 90.69 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.763 1.625 . . . . 0.0 113.514 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.21 -31.68 23.06 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 124.304 1.042 . . . . 0.0 112.827 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.06 -47.95 50.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 128.613 3.006 . . . . 0.0 110.983 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.59 36.09 3.62 Favored Glycine 0 C--O 1.203 -1.782 0 C-N-CA 126.396 1.951 . . . . 0.0 115.7 173.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -56.38 140.52 45.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 119.939 1.87 . . . . 0.0 111.62 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 120.468 -1.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.7 -23.58 18.18 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.9 -11.17 11.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -17.25 0.1 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.379 1.872 . . . . 0.0 114.18 160.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.32 -89.96 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 128.244 2.617 . . . . 0.0 113.783 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.14 35.41 0.38 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 121.469 0.652 . . . . 0.0 111.727 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.1 -35.03 6.22 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 127.995 2.518 . . . . 0.0 112.231 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.73 -54.9 3.07 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.752 1.263 . . . . 0.0 112.087 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.79 -34.0 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 126.747 2.019 . . . . 0.0 112.871 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.549 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 8.5 ptmt -52.01 -61.58 2.17 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 123.303 1.525 . . . . 0.0 114.175 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -57.41 -45.26 84.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 112.662 -2.063 . . . . 0.0 110.586 171.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mm -68.23 -44.06 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.552 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.66 64.94 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 121.313 1.87 . . . . 0.0 114.573 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.97 -36.92 13.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.589 1.955 . . . . 0.0 112.694 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.66 -37.65 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 126.885 2.074 . . . . 0.0 110.65 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.38 -51.11 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 C-N-CA 123.114 0.566 . . . . 0.0 112.2 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.13 -42.07 69.08 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 125.083 1.353 . . . . 0.0 112.586 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.38 56.13 Favored 'General case' 0 C--O 1.2 -1.531 0 C-N-CA 126.556 1.942 . . . . 0.0 115.883 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.41 -17.59 54.79 Favored Glycine 0 C--O 1.213 -1.203 0 C-N-CA 128.108 2.766 . . . . 0.0 116.908 -165.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 118.181 0.99 . . . . 0.0 113.435 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -59.37 -24.51 63.47 Favored 'General case' 0 C--O 1.156 -3.865 0 C-N-CA 127.463 2.305 . . . . 0.0 115.531 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.273 -2.726 0 O-C-N 119.491 -2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.282 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.5 14.38 1.17 Allowed 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 128.726 2.81 . . . . 0.0 115.22 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' C' ' 49' ' ' ALA . 71.0 mmtt -61.62 -17.12 53.95 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.49 2.316 . . . . 0.0 113.517 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -3.55 0.21 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 129.513 3.125 . . . . 0.0 114.548 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -67.81 -80.15 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.891 2.476 . . . . 0.0 114.196 -163.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -0.51 2.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.45 -64.92 1.08 Allowed 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.708 -1.245 . . . . 0.0 110.057 159.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.78 3.07 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 119.017 0.826 . . . . 0.0 112.247 -169.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -13.74 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 119.414 1.006 . . . . 0.0 111.545 -165.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.97 -40.11 12.56 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 127.037 2.135 . . . . 0.0 108.476 -165.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.51 -46.97 77.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 123.574 0.75 . . . . 0.0 110.929 160.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.6 -39.29 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 O-C-N 119.974 -1.703 . . . . 0.0 111.138 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.01 -23.98 66.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.62 -37.35 18.15 Favored 'General case' 0 C--O 1.21 -0.99 0 C-N-CA 125.512 1.525 . . . . 0.0 111.816 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.16 -34.16 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 O-C-N 119.965 -1.709 . . . . 0.0 111.186 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 124.865 1.266 . . . . 0.0 112.675 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.8 -38.74 92.22 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -31.55 72.6 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.117 1.767 . . . . 0.0 114.028 165.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.33 79.91 Favored Glycine 0 C--O 1.177 -3.425 0 C-N-CA 128.183 2.801 . . . . 0.0 115.921 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.97 20.16 79.85 Favored Glycine 0 C--N 1.298 -1.55 0 O-C-N 119.63 -2.1 . . . . 0.0 115.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -59.14 -22.53 61.05 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.559 2.344 . . . . 0.0 116.853 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.003 0 CA-C-N 119.396 0.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.82 16.32 0.21 Allowed 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 128.458 2.703 . . . . 0.0 116.263 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 69' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' D' ' 71' ' ' ALA . 46.8 mmtm -65.18 -14.93 61.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.78 1.05 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -81.63 5.93 16.68 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 127.279 2.232 . . . . 0.0 115.514 -165.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.45 -55.76 2.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 118.111 0.414 . . . . 0.0 110.592 154.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.83 75.62 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.678 1.991 . . . . 0.0 113.819 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.8 32.5 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 122.851 1.31 . . . . 0.0 110.839 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mm -67.62 -44.03 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.69 -1.257 . . . . 0.0 113.358 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.76 -31.16 71.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.407 1.483 . . . . 0.0 112.308 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.77 -64.19 0.99 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.529 0.681 . . . . 0.0 110.931 160.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.287 1.3 tt -69.42 -41.23 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 O-C-N 119.909 -1.745 . . . . 0.0 110.973 -164.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -22.46 66.97 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.37 -36.95 16.29 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 125.098 1.359 . . . . 0.0 111.643 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 125.238 1.415 . . . . 0.0 111.379 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mt -59.69 -50.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.093 1.757 . . . . 0.0 111.66 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -61.85 -30.19 70.68 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.05 33.21 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 125.848 1.659 . . . . 0.0 114.941 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.83 -22.64 27.69 Favored Glycine 0 C--O 1.179 -3.296 0 C-N-CA 128.463 2.935 . . . . 0.0 115.516 -163.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.51 37.03 89.51 Favored Glycine 0 C--O 1.196 -2.28 0 CA-C-N 119.326 1.563 . . . . 0.0 115.909 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -67.15 -16.73 64.5 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.162 -1.787 . . . . 0.0 114.55 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.425 0 O-C-N 117.974 -2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.14 -10.78 0.39 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.732 1.613 . . . . 0.0 113.656 163.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.64 -81.08 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.9 2.08 . . . . 0.0 113.906 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.22 2.85 2.54 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.18 -51.06 5.78 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 124.568 1.147 . . . . 0.0 112.934 161.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -65.9 0.64 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.506 1.122 . . . . 0.0 113.496 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.91 -24.41 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 123.156 0.582 . . . . 0.0 112.562 -168.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.1 tmtt? -76.1 -44.82 36.91 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.082 2.553 . . . . 0.0 109.647 -168.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.12 78.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.293 1.037 . . . . 0.0 112.561 162.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.03 -35.49 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.834 -171.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.38 -20.49 65.56 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.39 -41.83 13.29 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 124.507 1.123 . . . . 0.0 113.185 172.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.29 -33.69 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 129.422 3.089 . . . . 0.0 109.171 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.41 -58.69 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 C-N-CA 125.715 1.606 . . . . 0.0 111.713 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -56.26 -39.93 73.39 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.578 0.751 . . . . 0.0 112.887 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.83 60.71 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 125.779 1.632 . . . . 0.0 114.372 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.01 -22.21 78.2 Favored Glycine 0 C--O 1.202 -1.852 0 C-N-CA 126.732 2.111 . . . . 0.0 112.791 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.51 29.3 72.92 Favored Glycine 0 N--CA 1.432 -1.59 0 CA-C-N 118.673 1.237 . . . . 0.0 114.777 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--O 1.177 -2.714 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -170.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.459 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.95 -10.92 57.35 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -7.85 0.25 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 127.245 2.218 . . . . 0.0 114.761 163.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.145 0.978 . . . . 0.0 112.652 -169.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.73 13.93 0.32 Allowed 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.35 -62.72 1.45 Allowed 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 119.473 -2.017 . . . . 0.0 112.386 153.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -35.14 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 122.111 0.958 . . . . 0.0 111.624 -169.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.16 -41.63 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 C-N-CA 125.737 1.615 . . . . 0.0 111.937 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -64.0 -38.31 90.59 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 123.697 0.799 . . . . 0.0 112.743 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.41 -52.72 64.39 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.72 164.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 0.7 OUTLIER -64.02 -44.82 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 120.14 1.337 . . . . 0.0 112.483 -173.346 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.3 -16.21 64.14 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -33.93 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.386 1.874 . . . . 0.0 111.93 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.96 -32.14 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.841 1.656 . . . . 0.0 109.63 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' B' ' 43' ' ' TYR . 54.1 mt -59.26 -57.64 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 O-C-N 120.564 -1.335 . . . . 0.0 111.13 171.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -53.1 -44.64 67.77 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.566 1.546 . . . . 0.0 115.119 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.27 60.48 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.041 1.736 . . . . 0.0 113.701 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.55 -33.84 21.15 Favored Glycine 0 C--O 1.184 -2.969 0 C-N-CA 125.75 1.643 . . . . 0.0 113.786 -174.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.28 36.0 22.02 Favored Glycine 0 N--CA 1.42 -2.418 0 C-N-CA 127.553 2.502 . . . . 0.0 118.016 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' B' ' 38' ' ' ILE . 9.5 m-85 . . . . . 0 C--O 1.176 -2.804 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -175.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.066 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -55.67 -34.07 64.68 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 118.847 -2.408 . . . . 0.0 115.045 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.7 -12.69 1.97 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.467 1.907 . . . . 0.0 114.833 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.138 1.375 . . . . 0.0 112.225 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.67 32.9 0.13 Allowed 'General case' 0 C--O 1.197 -1.67 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.65 -27.62 4.69 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 131.539 3.935 . . . . 0.0 112.825 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.44 -49.31 3.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.675 1.59 . . . . 0.0 112.527 167.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.15 -34.31 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 124.298 1.039 . . . . 0.0 111.504 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' C' ' 55' ' ' ALA . 18.2 ptmt -55.27 -61.3 2.42 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.72 1.208 . . . . 0.0 113.64 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . 0.651 ' H ' ' HG3' ' C' ' 54' ' ' LYS . . . -64.45 12.47 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.183 3.393 . . . . 0.0 115.427 166.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 mm -122.18 -50.07 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.949 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.87 -24.04 67.59 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 121.13 1.786 . . . . 0.0 113.676 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.37 -38.89 49.1 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.481 1.513 . . . . 0.0 113.116 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.4 -31.82 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.612 1.965 . . . . 0.0 110.89 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 mt -53.67 -51.56 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 O-C-N 120.018 -1.676 . . . . 0.0 110.873 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -61.26 -47.46 85.94 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 128.145 2.578 . . . . 0.0 111.445 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.56 71.4 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 125.875 1.67 . . . . 0.0 111.345 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.08 -35.86 89.67 Favored Glycine 0 C--O 1.198 -2.122 0 C-N-CA 130.433 3.873 . . . . 0.0 111.785 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.28 42.93 17.53 Favored Glycine 0 C--O 1.216 -0.974 0 C-N-CA 127.304 2.383 . . . . 0.0 113.704 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--O 1.175 -2.848 0 CA-C-O 123.71 1.719 . . . . 0.0 112.265 175.301 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.115 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -51.33 -51.48 53.99 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.037 1.735 . . . . 0.0 111.842 162.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.26 7.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.578 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.12 4.74 29.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.211 1.804 . . . . 0.0 115.134 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.39 -62.24 1.32 Allowed 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.987 -1.07 . . . . 0.0 110.109 150.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.23 65.64 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.389 1.876 . . . . 0.0 115.228 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -40.06 46.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.697 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -69.42 -44.25 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.398 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.13 -29.41 65.21 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.612 1.565 . . . . 0.0 114.284 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -64.58 0.9 Allowed 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.879 156.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.84 -39.79 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 118.43 -2.668 . . . . 0.0 112.064 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.68 -12.64 61.43 Favored 'General case' 0 C--O 1.196 -1.745 0 O-C-N 120.028 -1.67 . . . . 0.0 113.979 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.08 -35.65 10.35 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 119.573 -1.954 . . . . 0.0 113.464 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' C' ' 52' ' ' ALA . 83.8 mt -70.93 -27.58 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.45 1.5 . . . . 0.0 109.294 174.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.25 -50.32 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 120.853 1.661 . . . . 0.0 111.992 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -53.93 -36.22 62.53 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.84 -42.43 14.15 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 125.323 1.449 . . . . 0.0 112.591 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.7 77.2 Favored Glycine 0 C--O 1.197 -2.186 0 C-N-CA 127.954 2.693 . . . . 0.0 115.063 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.66 32.62 57.13 Favored Glycine 0 C--O 1.182 -3.118 0 C-N-CA 125.21 1.386 . . . . 0.0 115.851 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--N 1.29 -1.996 0 C-N-CA 127.951 2.5 . . . . 0.0 117.024 177.071 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.33 1.03 0.09 Allowed 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.061 2.145 . . . . 0.0 116.387 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.46 9.46 23.56 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 -160.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.88 -54.21 2.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.477 -1.39 . . . . 0.0 111.877 151.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.89 68.54 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 127.185 2.194 . . . . 0.0 113.47 -167.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.01 -40.27 15.98 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 119.494 1.043 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.47 -44.92 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.442 1.497 . . . . 0.0 112.502 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -65.22 -38.77 91.46 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.092 2.157 . . . . 0.0 110.27 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.25 5.38 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 118.745 0.702 . . . . 0.0 111.417 162.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -45.79 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.191 1.396 . . . . 0.0 113.357 -168.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.77 67.49 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.971 1.714 . . . . 0.0 113.987 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.61 -39.09 16.47 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.964 1.306 . . . . 0.0 112.34 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.76 -33.51 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 125.847 1.659 . . . . 0.0 109.593 172.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.21 -57.94 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 119.838 1.199 . . . . 0.0 112.13 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.65 32.04 Favored 'General case' 0 C--O 1.212 -0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 112.052 174.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.4 25.99 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.478 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.28 -39.18 44.41 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 128.28 2.848 . . . . 0.0 113.69 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 27.36 29.24 Favored Glycine 0 C--O 1.195 -2.323 0 C-N-CA 126.648 2.071 . . . . 0.0 114.06 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--O 1.179 -2.612 0 C-N-CA 126.272 1.829 . . . . 0.0 114.9 177.608 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.052 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -61.67 -16.08 45.74 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 167.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.61 -13.27 0.93 Allowed 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 125.488 1.515 . . . . 0.0 114.951 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -60.3 -92.99 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 129.402 3.081 . . . . 0.0 113.085 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.62 33.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.599 1.16 . . . . 0.0 112.588 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -112.83 -37.11 4.95 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 129.632 3.173 . . . . 0.0 111.934 166.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.87 -56.78 2.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 124.582 1.153 . . . . 0.0 111.313 172.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mm -52.68 -29.66 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 C-N-CA 126.26 1.824 . . . . 0.0 113.499 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.645 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 37.7 pttt -60.72 -60.7 3.38 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 123.687 1.708 . . . . 0.0 114.113 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.645 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -53.98 -48.07 70.73 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.623 -2.081 . . . . 0.0 111.467 167.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mm -67.66 -41.32 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 124.572 1.149 . . . . 0.0 110.948 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.22 66.31 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 121.359 1.89 . . . . 0.0 114.965 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.39 -38.03 16.53 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 126.966 2.106 . . . . 0.0 113.166 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.87 -34.94 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.476 2.311 . . . . 0.0 109.34 173.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 22.3 mt -64.54 -51.7 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 124.807 1.243 . . . . 0.0 111.256 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -56.69 -42.27 78.79 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 123.688 0.795 . . . . 0.0 113.138 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.69 68.26 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.21 2.204 . . . . 0.0 112.531 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.69 -15.1 81.5 Favored Glycine 0 C--O 1.218 -0.848 0 C-N-CA 127.786 2.613 . . . . 0.0 116.817 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.49 77.7 Favored Glycine 0 C--O 1.211 -1.293 0 O-C-N 120.857 -1.378 . . . . 0.0 115.102 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 C--O 1.2 -1.533 0 C-N-CA 127.504 2.322 . . . . 0.0 113.433 173.503 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.82 0 N-CA-C 115.448 1.648 . . . . 0.0 115.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.79 -13.98 57.38 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -4.58 0.53 Allowed 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.338 1.855 . . . . 0.0 114.816 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -71.17 0.36 Allowed 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.725 1.61 . . . . 0.0 115.201 -167.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.47 -2.01 15.22 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.655 1.982 . . . . 0.0 115.957 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.66 -55.43 4.12 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.175 -0.953 . . . . 0.0 110.111 159.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.69 -69.54 0.24 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 126.466 1.906 . . . . 0.0 113.61 -173.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.432 HD13 ' N ' ' C' ' 54' ' ' LYS . 0.0 OUTLIER -67.65 -18.89 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 O-C-N 120.692 -1.255 . . . . 0.0 112.257 -166.108 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . 0.432 ' N ' HD13 ' C' ' 53' ' ' ILE . 2.3 tmtp? -78.16 -40.7 37.09 Favored 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 127.766 2.427 . . . . 0.0 110.215 -171.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.07 95.52 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.467 -0.771 . . . . 0.0 112.98 161.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.15 -27.24 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.466 -166.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.4 65.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.168 -2.207 . . . . 0.0 113.397 167.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.69 -40.01 23.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.597 1.559 . . . . 0.0 113.054 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 mt -67.62 -28.17 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 126.38 1.872 . . . . 0.0 111.187 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' C' ' 65' ' ' TYR . 11.4 mt -61.51 -53.27 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.146 -1.596 . . . . 0.0 110.011 172.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.75 -41.84 99.39 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.805 1.642 . . . . 0.0 111.599 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.44 57.67 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 125.589 1.555 . . . . 0.0 113.861 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.59 -33.66 55.47 Favored Glycine 0 C--O 1.193 -2.463 0 C-N-CA 129.375 3.369 . . . . 0.0 112.815 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.15 25.42 34.01 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-N 119.505 1.652 . . . . 0.0 113.161 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' C' ' 60' ' ' ILE . 11.4 m-85 . . . . . 0 C--O 1.187 -2.209 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.539 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -77.67 -43.22 31.97 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 129.212 3.005 . . . . 0.0 112.689 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.83 -34.59 5.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.217 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.55 5.65 23.35 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.048 1.739 . . . . 0.0 114.559 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.97 -56.85 2.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.925 -0.56 . . . . 0.0 111.871 149.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.83 -40.62 60.81 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 127.54 2.336 . . . . 0.0 113.928 -170.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.72 22.56 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 123.582 1.658 . . . . 0.0 112.974 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.17 -42.83 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.202 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -62.01 -34.69 76.66 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 124.497 1.119 . . . . 0.0 111.885 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.72 -60.44 3.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.4 1.08 . . . . 0.0 109.312 165.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.298 1.5 tt -62.27 -45.75 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 O-C-N 120.626 -1.296 . . . . 0.0 111.696 -169.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.62 -16.75 63.44 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.97 -44.03 11.92 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 125.125 1.37 . . . . 0.0 110.761 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.43 -34.02 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 C-N-CA 126.855 2.062 . . . . 0.0 111.036 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 60.0 mt -62.1 -48.48 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.41 1.484 . . . . 0.0 110.803 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -65.11 -46.51 80.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 126.585 1.954 . . . . 0.0 112.443 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -39.28 51.97 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.424 1.89 . . . . 0.0 113.103 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.65 80.42 Favored Glycine 0 C--O 1.212 -1.247 0 C-N-CA 125.8 1.667 . . . . 0.0 112.957 169.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.02 8.36 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 126.58 2.038 . . . . 0.0 112.842 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 37.6 m-85 . . . . . 0 C--O 1.205 -1.244 0 CA-C-N 119.158 1.479 . . . . 0.0 111.858 174.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.59 -11.48 1.35 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 126.995 2.118 . . . . 0.0 114.092 167.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.57 -87.19 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.871 1.668 . . . . 0.0 113.416 -167.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.44 1.29 Allowed 'General case' 0 N--CA 1.437 -1.092 0 O-C-N 119.559 -1.963 . . . . 0.0 115.214 -167.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.16 -44.32 9.32 Favored 'General case' 0 C--O 1.184 -2.394 0 C-N-CA 125.781 1.633 . . . . 0.0 111.633 164.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.0 -37.89 12.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 118.698 -2.502 . . . . 0.0 110.458 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.97 -39.35 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 124.896 1.278 . . . . 0.0 110.919 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -53.9 -51.02 65.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 119.575 1.08 . . . . 0.0 113.097 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.33 6.46 0.78 Allowed 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.233 2.213 . . . . 0.0 115.953 172.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -109.64 -61.99 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.416 2.286 . . . . 0.0 110.774 156.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -33.39 64.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 123.754 2.979 . . . . 0.0 113.733 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.08 76.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.339 1.456 . . . . 0.0 113.072 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.648 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -70.82 -34.43 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.645 1.978 . . . . 0.0 110.872 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.6 mt -51.86 -46.82 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-N 121.344 1.884 . . . . 0.0 110.948 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -75.22 -44.69 44.84 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.331 1.452 . . . . 0.0 113.859 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.65 -43.04 17.42 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.72 -36.28 93.09 Favored Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 125.713 1.625 . . . . 0.0 112.849 163.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 62.35 3.35 Favored Glycine 0 C--O 1.213 -1.181 0 C-N-CA 127.04 2.257 . . . . 0.0 112.315 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.428 -1.557 0 CA-C-N 120.172 1.986 . . . . 0.0 115.424 -175.024 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.545 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.49 -15.66 7.63 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.51 -13.42 0.37 Allowed 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 127.391 2.277 . . . . 0.0 112.876 165.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.034 2.534 . . . . 0.0 110.446 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.17 -26.98 68.08 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.04 -12.21 60.4 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.648 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -104.53 -69.22 0.82 Allowed 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.282 -1.512 . . . . 0.0 110.106 150.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 mm -58.78 -27.74 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 127.456 2.302 . . . . 0.0 113.631 -157.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.55 32.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.799 -1.188 . . . . 0.0 111.793 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.75 85.99 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.049 1.34 . . . . 0.0 110.915 163.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -38.98 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 120.249 -1.532 . . . . 0.0 110.925 -168.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.65 64.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 120.938 1.699 . . . . 0.0 113.386 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.03 -39.44 12.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.36 1.864 . . . . 0.0 113.279 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.44 -31.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.661 1.985 . . . . 0.0 110.371 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.77 -53.45 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 O-C-N 120.213 -1.554 . . . . 0.0 111.383 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.42 -35.53 72.21 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.965 2.106 . . . . 0.0 113.106 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.38 -29.67 33.91 Favored 'General case' 0 C--O 1.205 -1.281 0 C-N-CA 124.879 1.271 . . . . 0.0 113.68 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.28 56.9 Favored Glycine 0 C--O 1.214 -1.097 0 C-N-CA 127.957 2.694 . . . . 0.0 111.438 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 29.35 24.47 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 126.181 1.848 . . . . 0.0 114.119 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--O 1.19 -2.036 0 C-N-CA 127.939 2.496 . . . . 0.0 114.531 -171.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -62.09 -17.26 57.08 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 126.235 1.814 . . . . 0.0 114.694 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -11.79 0.65 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.866 2.067 . . . . 0.0 114.219 167.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.79 -87.79 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.414 2.286 . . . . 0.0 110.672 -165.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.543 -1.348 . . . . 0.0 113.878 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.1 55.91 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 115.115 175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.48 -61.48 1.42 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.322 1.419 . . . . 0.0 110.345 156.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mm -65.72 -27.56 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.546 1.538 . . . . 0.0 112.204 -158.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -72.48 -40.01 67.27 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 121.214 -0.929 . . . . 0.0 112.61 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -39.87 80.55 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 123.735 0.647 . . . . 0.0 111.896 165.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . 0.404 HD12 ' HB1' ' C' ' 52' ' ' ALA 0.262 46.6 mt -79.1 -33.36 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-O 117.59 -1.195 . . . . 0.0 110.344 -166.237 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.82 -18.36 64.04 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 121.663 2.029 . . . . 0.0 114.217 171.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.37 -36.99 14.3 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 126.807 2.043 . . . . 0.0 113.152 171.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 22.0 mt -64.48 -35.38 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.748 2.019 . . . . 0.0 111.238 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 14.4 mt -57.32 -52.71 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.284 -2.135 . . . . 0.0 111.553 171.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -59.4 -38.14 79.8 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 125.654 1.582 . . . . 0.0 113.229 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.7 -35.72 60.21 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 113.778 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.84 -25.56 71.47 Favored Glycine 0 C--O 1.214 -1.101 0 C-N-CA 126.865 2.174 . . . . 0.0 113.976 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.49 41.94 35.0 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 118.592 1.196 . . . . 0.0 114.2 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--O 1.185 -2.329 0 C-N-CA 127.403 2.281 . . . . 0.0 113.264 175.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.212 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -57.95 -43.3 86.3 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 124.896 1.278 . . . . 0.0 112.148 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -8.99 29.43 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.49 2.716 . . . . 0.0 114.528 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.82 12.25 15.61 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -156.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 -58.13 2.1 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 153.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.36 79.63 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 118.606 -2.559 . . . . 0.0 114.67 -166.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.0 44.66 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 121.417 0.627 . . . . 0.0 112.154 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 43.6 mm -69.18 -38.76 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.588 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.27 -30.43 64.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.685 1.194 . . . . 0.0 112.16 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -62.11 2.13 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 125.615 1.822 . . . . 0.0 111.462 159.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 tt -67.81 -41.91 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.87 -167.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.31 -18.06 65.13 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 120.769 1.622 . . . . 0.0 114.18 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.86 -44.1 11.33 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.347 1.459 . . . . 0.0 111.981 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' C' ' 52' ' ' ALA . 63.0 mt -64.71 -30.52 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 126.422 1.889 . . . . 0.0 110.418 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.22 -52.41 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 O-C-N 121.301 -0.874 . . . . 0.0 110.394 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -61.72 -45.81 92.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.0 66.91 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.95 -35.96 53.03 Favored Glycine 0 C--O 1.212 -1.224 0 C-N-CA 127.915 2.674 . . . . 0.0 112.097 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.21 5.73 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 124.971 1.272 . . . . 0.0 114.192 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.173 -2.921 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.302 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm . . . . . 0 C--O 1.203 -1.374 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.53 -8.51 6.45 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.904 2.081 . . . . 0.0 113.537 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.289 . . -63.8 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.531 -169.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.13 62.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 120.841 1.655 . . . . 0.0 114.232 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.5 53.86 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -101.82 -65.49 0.98 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.496 0.665 . . . . 0.0 111.541 156.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mm -59.45 -30.14 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 124.367 1.067 . . . . 0.0 113.724 -160.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -42.04 63.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 123.368 0.667 . . . . 0.0 111.932 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.13 83.42 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.727 0.811 . . . . 0.0 111.17 166.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.68 -40.75 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 119.716 1.143 . . . . 0.0 110.711 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.77 -19.81 66.03 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 120.804 1.638 . . . . 0.0 114.573 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.79 -41.3 19.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.385 1.074 . . . . 0.0 112.532 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mt -67.43 -26.81 36.72 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 C-N-CA 127.497 2.319 . . . . 0.0 110.748 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.72 -50.72 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 O-C-N 120.287 -1.508 . . . . 0.0 111.976 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -62.95 -48.1 80.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.936 1.295 . . . . 0.0 113.556 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.99 -36.14 62.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.471 1.109 . . . . 0.0 113.434 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.87 97.12 Favored Glycine 0 C--O 1.211 -1.297 0 C-N-CA 126.164 1.84 . . . . 0.0 112.298 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.07 43.39 3.82 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 125.522 1.534 . . . . 0.0 113.622 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--O 1.206 -1.221 0 C-N-CA 125.555 1.542 . . . . 0.0 114.956 -178.665 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.396 -3.155 0 N-CA-C 114.625 1.342 . . . . 0.0 114.625 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -67.62 -11.41 58.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.39 -18.6 0.41 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 161.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.39 -86.98 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.899 1.679 . . . . 0.0 111.434 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.11 8.17 0.81 Allowed 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 -48.13 6.49 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 118.883 -2.386 . . . . 0.0 113.103 164.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.69 -37.15 15.76 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.782 -1.199 . . . . 0.0 111.072 -175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mm -60.4 -42.38 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -56.08 -49.38 73.96 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 123.338 0.655 . . . . 0.0 112.517 172.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.32 -0.06 4.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 171.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.277 0.3 OUTLIER -106.83 -57.1 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 126.685 1.994 . . . . 0.0 112.98 164.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.14 72.16 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 123.395 2.816 . . . . 0.0 113.775 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.3 86.81 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.535 1.134 . . . . 0.0 111.89 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.728 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.8 mp -74.24 -32.76 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 128.132 2.573 . . . . 0.0 110.249 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.56 -49.72 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 121.024 1.738 . . . . 0.0 110.163 170.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -72.67 -46.47 53.69 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.701 1.601 . . . . 0.0 112.28 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 -39.55 31.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 120.561 -1.337 . . . . 0.0 112.627 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 -43.7 92.75 Favored Glycine 0 C--O 1.197 -2.213 0 C-N-CA 125.08 1.324 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.84 51.53 2.82 Favored Glycine 0 C--O 1.208 -1.511 0 C-N-CA 125.905 1.717 . . . . 0.0 115.319 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 . . . . . 0 C--O 1.17 -3.126 0 O-C-N 120.31 -1.7 . . . . 0.0 114.554 176.28 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.836 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.58 -9.61 6.32 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.348 1.859 . . . . 0.0 115.771 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.44 -11.05 0.17 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.581 1.952 . . . . 0.0 114.873 158.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.72 -79.44 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.678 2.391 . . . . 0.0 111.718 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.9 11.3 1.45 Allowed 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 119.902 -1.749 . . . . 0.0 114.391 -170.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.85 -55.45 3.63 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.465 1.906 . . . . 0.0 111.626 158.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.41 18.32 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.009 0.923 . . . . 0.0 111.283 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 124.7 1.2 . . . . 0.0 111.959 171.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.94 -40.35 97.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.2 49.66 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.109 0.964 . . . . 0.0 112.467 163.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -41.42 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 118.748 -2.47 . . . . 0.0 112.02 -171.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.36 -21.8 66.24 Favored 'General case' 0 C--O 1.21 -1.012 0 O-C-N 119.942 -1.724 . . . . 0.0 113.0 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.55 -41.74 13.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.849 -1.157 . . . . 0.0 112.963 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 52.8 mt -62.35 -32.73 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.807 1.643 . . . . 0.0 111.459 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.78 -50.82 78.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 O-C-N 120.443 -1.41 . . . . 0.0 110.0 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.75 -40.29 83.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.063 1.745 . . . . 0.0 113.746 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.08 -38.11 61.38 Favored 'General case' 0 C--O 1.194 -1.821 0 C-N-CA 125.501 1.52 . . . . 0.0 114.015 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.28 90.96 Favored Glycine 0 C--O 1.211 -1.318 0 C-N-CA 127.797 2.617 . . . . 0.0 113.483 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.38 32.27 20.07 Favored Glycine 0 C--O 1.2 -2.03 0 C-N-CA 125.557 1.551 . . . . 0.0 113.597 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.176 -2.783 0 C-N-CA 130.197 3.399 . . . . 0.0 115.074 -170.029 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.2 -8.66 2.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -1.85 0.17 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.717 1.607 . . . . 0.0 114.657 165.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.29 1.67 13.07 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -167.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.36 -34.25 5.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 120.268 -1.52 . . . . 0.0 111.041 154.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -11.14 30.74 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.638 1.975 . . . . 0.0 115.854 -175.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.53 -54.87 2.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 119.672 1.124 . . . . 0.0 112.542 152.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.35 -33.05 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 125.316 1.447 . . . . 0.0 113.832 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -73.33 -35.95 66.11 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 112.06 -173.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.82 73.41 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.548 0.69 . . . . 0.0 111.798 161.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.86 -38.47 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 O-C-N 119.705 -1.872 . . . . 0.0 112.35 -166.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.96 62.28 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 120.267 -1.521 . . . . 0.0 114.603 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.64 -38.92 11.09 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.935 2.094 . . . . 0.0 110.829 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.48 -36.69 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.703 2.401 . . . . 0.0 110.03 172.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt -59.75 -51.9 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 124.288 1.035 . . . . 0.0 112.045 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -55.86 -41.76 74.84 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.901 1.281 . . . . 0.0 112.767 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.58 -31.8 60.11 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.545 1.938 . . . . 0.0 113.102 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.18 45.55 Favored Glycine 0 C--O 1.191 -2.542 0 C-N-CA 128.814 3.102 . . . . 0.0 111.78 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 14.65 31.78 Favored Glycine 0 N--CA 1.421 -2.307 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 1 C--O 1.138 -4.776 0 C-N-CA 125.28 1.432 . . . . 0.0 111.741 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt . . . . . 0 N--CA 1.44 -0.975 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.85 24.67 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.988 2.515 . . . . 0.0 113.709 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.286 . . -65.59 -82.34 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.923 1.689 . . . . 0.0 112.043 -165.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -61.13 -14.05 21.79 Favored 'General case' 1 C--O 1.133 -5.052 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 178.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -20.9 61.03 Favored 'General case' 1 C--O 1.152 -4.07 0 O-C-N 118.327 -2.733 . . . . 0.0 113.295 169.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.3 -49.98 2.93 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 122.637 2.471 . . . . 0.0 112.015 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -65.79 -34.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 C-N-CA 125.098 1.359 . . . . 0.0 112.537 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 9.7 tmtt? -71.68 -35.14 70.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.832 0.742 . . . . 0.0 110.694 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -55.15 31.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.579 1.552 . . . . 0.0 111.508 161.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.21 -40.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 120.787 -1.195 . . . . 0.0 110.718 -165.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.25 64.8 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.81 -40.76 12.93 Favored 'General case' 0 C--O 1.203 -1.359 0 C-N-CA 124.402 1.081 . . . . 0.0 112.757 168.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' B' ' 30' ' ' ALA . 60.0 mt -67.16 -30.53 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 C-N-CA 127.285 2.234 . . . . 0.0 112.486 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 37.3 mt -56.91 -46.6 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.091 -2.256 . . . . 0.0 111.599 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -73.78 -41.68 62.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.853 1.661 . . . . 0.0 112.99 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.33 -43.43 12.89 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.32 99.17 Favored Glycine 0 C--O 1.205 -1.709 0 C-N-CA 128.033 2.73 . . . . 0.0 110.361 166.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.1 53.33 2.54 Favored Glycine 0 C--O 1.187 -2.838 0 C-N-CA 126.818 2.152 . . . . 0.0 114.622 167.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 76.2 m-85 . . . . . 0 C--O 1.191 -1.985 0 CA-C-N 118.809 1.305 . . . . 0.0 111.87 166.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.893 0 N-CA-C 116.871 2.175 . . . . 0.0 116.871 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.0 -20.26 66.41 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 121.825 2.102 . . . . 0.0 112.94 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.34 -9.78 1.73 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.313 1.445 . . . . 0.0 112.924 -170.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.21 23.06 0.09 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.955 1.302 . . . . 0.0 113.622 -170.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.59 -22.24 10.39 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 131.752 4.021 . . . . 0.0 112.776 169.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -109.55 -55.57 2.41 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 125.203 1.401 . . . . 0.0 110.439 171.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -48.41 -36.59 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 128.142 2.577 . . . . 0.0 111.181 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 17.8 ptmt -50.96 -61.49 2.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.628 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -67.71 11.53 0.13 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 130.443 3.497 . . . . 0.0 114.11 170.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.69 -53.3 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 116.851 -1.547 . . . . 0.0 109.776 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.58 68.47 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 123.597 2.908 . . . . 0.0 115.221 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.82 68.96 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 125.2 1.4 . . . . 0.0 112.106 169.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.65 -35.12 59.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 128.056 2.542 . . . . 0.0 111.288 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.37 -54.12 24.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 120.493 -1.379 . . . . 0.0 111.765 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -57.86 -42.73 85.13 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 124.177 0.991 . . . . 0.0 113.652 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.7 -35.27 62.73 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.72 63.17 Favored Glycine 0 C--O 1.198 -2.148 0 C-N-CA 128.59 2.995 . . . . 0.0 114.37 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.27 39.09 9.36 Favored Glycine 0 C--O 1.198 -2.134 0 CA-C-N 119.585 1.693 . . . . 0.0 115.047 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.181 -2.503 0 C-N-CA 126.328 1.851 . . . . 0.0 115.56 175.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.23 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.73 -29.19 64.55 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 120.76 1.618 . . . . 0.0 112.796 163.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.96 -5.46 9.5 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.917 2.087 . . . . 0.0 114.432 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . 0.299 . . -64.6 -87.86 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.115 1.766 . . . . 0.0 112.686 -164.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.91 -22.53 65.66 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.99 -4.33 16.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 115.413 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -122.21 -57.59 1.76 Allowed 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.866 0.866 . . . . 0.0 111.222 162.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.56 -26.21 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 112.461 -167.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -37.01 57.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.243 -1.535 . . . . 0.0 111.696 -174.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.43 78.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 162.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -69.31 -37.96 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 118.175 -0.916 . . . . 0.0 108.674 -170.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.73 63.64 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 121.245 1.839 . . . . 0.0 115.661 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.27 -40.77 10.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 111.07 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.2 -34.37 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 C-N-CA 128.563 2.745 . . . . 0.0 108.908 168.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -51.2 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 120.148 1.34 . . . . 0.0 111.504 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -59.12 -38.47 79.67 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 126.907 2.083 . . . . 0.0 112.253 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.08 70.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 125.942 1.697 . . . . 0.0 113.432 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.55 -24.94 73.95 Favored Glycine 0 C--O 1.205 -1.676 0 C-N-CA 128.542 2.972 . . . . 0.0 115.02 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 18.34 71.69 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 116.658 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . 0.421 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 6.0 m-85 . . . . . 0 C--O 1.179 -2.608 0 C-N-CA 127.714 2.406 . . . . 0.0 115.972 177.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.675 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.92 -42.08 27.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.675 1.59 . . . . 0.0 113.833 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -44.71 -37.24 3.59 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 127.16 2.184 . . . . 0.0 111.295 162.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.43 5.51 17.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.317 1.847 . . . . 0.0 113.724 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.58 -52.65 2.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 119.365 -2.084 . . . . 0.0 112.668 147.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.47 56.45 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 127.816 2.446 . . . . 0.0 115.073 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.31 -45.21 10.22 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-O 123.018 1.39 . . . . 0.0 111.636 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 37.6 mm -55.46 -45.22 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 C-N-CA 124.96 1.304 . . . . 0.0 113.88 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -62.89 -37.61 87.6 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.527 1.531 . . . . 0.0 113.905 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.25 27.42 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.806 0.691 . . . . 0.0 110.139 163.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -42.9 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 119.831 -1.793 . . . . 0.0 112.727 -167.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -14.1 62.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.7 -38.63 11.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.571 1.549 . . . . 0.0 112.17 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . 0.432 HG21 ' HB2' ' C' ' 52' ' ' ALA . 66.1 mt -68.2 -32.51 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 126.419 1.888 . . . . 0.0 109.818 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -57.71 -50.16 78.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 120.526 1.512 . . . . 0.0 111.9 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -67.15 -34.58 77.88 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.246 2.218 . . . . 0.0 114.535 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.68 -41.55 26.61 Favored 'General case' 0 C--O 1.195 -1.804 0 C-N-CA 125.94 1.696 . . . . 0.0 113.773 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.78 -34.18 88.03 Favored Glycine 0 C--O 1.21 -1.35 0 C-N-CA 127.166 2.317 . . . . 0.0 113.958 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.63 39.84 39.84 Favored Glycine 0 C--O 1.203 -1.788 0 C-N-CA 127.104 2.287 . . . . 0.0 113.052 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.193 -1.91 0 C-N-CA 128.415 2.686 . . . . 0.0 115.761 -175.001 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--O 1.206 -1.21 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -18.3 6.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 124.775 1.23 . . . . 0.0 113.472 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.89 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 124.703 1.201 . . . . 0.0 111.153 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.98 9.68 0.37 Allowed 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.182 -1.574 . . . . 0.0 114.85 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.76 -58.0 2.98 Favored 'General case' 0 C--O 1.207 -1.136 0 O-C-N 120.631 -1.293 . . . . 0.0 112.204 156.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 -41.74 14.2 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.341 -2.1 . . . . 0.0 110.772 -168.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.52 -44.16 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.408 1.483 . . . . 0.0 111.951 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.86 -40.51 95.6 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.39 78.22 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 111.698 166.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.42 HD12 HG13 ' B' ' 34' ' ' ILE 0.292 0.4 OUTLIER -64.09 -44.04 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 O-C-N 119.647 -1.908 . . . . 0.0 110.239 -174.031 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.09 -20.33 65.87 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.236 -2.165 . . . . 0.0 114.034 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.53 -40.74 17.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 124.649 1.18 . . . . 0.0 113.01 170.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.25 -32.62 59.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 125.44 1.496 . . . . 0.0 112.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.1 mt -60.27 -54.76 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.766 1.626 . . . . 0.0 111.989 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -54.59 -39.72 68.13 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 127.361 2.264 . . . . 0.0 113.243 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.13 -25.01 32.33 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.04 -25.43 52.27 Favored Glycine 0 C--O 1.196 -2.223 0 C-N-CA 129.116 3.246 . . . . 0.0 116.305 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.04 53.42 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 118.745 1.272 . . . . 0.0 114.434 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.181 -2.511 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 177.402 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.524 0 N-CA-C 118.669 2.841 . . . . 0.0 118.669 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -70.46 -12.05 61.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 121.301 1.864 . . . . 0.0 114.691 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.59 -4.99 0.48 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 127.753 2.421 . . . . 0.0 113.683 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -84.45 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.87 2.468 . . . . 0.0 113.696 -172.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.98 13.31 0.89 Allowed 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.838 -1.164 . . . . 0.0 112.083 -174.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.85 -1.74 33.95 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 119.446 -2.034 . . . . 0.0 113.966 164.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.4 -43.06 1.04 Allowed 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 164.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -31.15 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 120.709 -1.244 . . . . 0.0 111.391 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -71.09 -38.7 72.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.911 1.232 . . . . 0.0 111.817 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.85 79.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 123.127 0.571 . . . . 0.0 111.712 165.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.42 HG13 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.52 -45.2 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 117.69 -1.148 . . . . 0.0 111.072 -172.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . 0.251 . . -69.91 -1.75 10.44 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 121.33 1.877 . . . . 0.0 114.905 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.38 -41.14 7.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 127.367 2.267 . . . . 0.0 112.627 165.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.6 -26.46 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 126.728 2.011 . . . . 0.0 112.107 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CD1' ' B' ' 43' ' ' TYR . 4.6 mm -53.26 -64.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 126.314 1.846 . . . . 0.0 110.062 165.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.41 -42.31 95.69 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 126.918 2.087 . . . . 0.0 113.53 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.51 -32.33 25.97 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.689 1.596 . . . . 0.0 113.066 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -30.16 76.48 Favored Glycine 0 C--O 1.202 -1.879 0 C-N-CA 127.345 2.402 . . . . 0.0 112.729 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.08 47.75 22.79 Favored Glycine 0 C--O 1.202 -1.883 0 CA-C-N 119.502 1.651 . . . . 0.0 112.227 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 2.0 m-85 . . . . . 1 C--O 1.148 -4.247 0 C-N-CA 127.15 2.18 . . . . 0.0 116.727 -174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.997 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.53 -12.5 6.54 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.884 1.673 . . . . 0.0 114.89 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.89 -9.13 0.21 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.688 1.595 . . . . 0.0 115.128 162.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.03 -87.35 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.428 3.091 . . . . 0.0 112.478 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.12 68.47 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.32 -13.27 17.99 Favored 'General case' 0 C--O 1.19 -2.069 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -109.19 -61.14 1.67 Allowed 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 126.163 1.785 . . . . 0.0 110.574 157.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 35.4 mm -60.8 -27.62 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 114.183 -163.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.03 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.368 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.13 94.82 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.879 0.872 . . . . 0.0 111.968 162.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -77.87 -37.09 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.37 -164.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -22.12 66.78 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 121.146 1.794 . . . . 0.0 113.057 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.39 -40.2 18.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.307 1.843 . . . . 0.0 112.607 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.41 -32.16 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 125.291 1.437 . . . . 0.0 111.992 171.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.23 -51.09 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.971 1.308 . . . . 0.0 111.198 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.89 -40.81 73.52 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 125.666 1.586 . . . . 0.0 112.274 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.26 63.25 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 124.566 1.147 . . . . 0.0 112.73 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.13 72.14 Favored Glycine 0 C--O 1.17 -3.894 0 C-N-CA 128.984 3.183 . . . . 0.0 116.503 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.54 22.63 69.53 Favored Glycine 0 C--N 1.301 -1.368 0 CA-C-N 121.668 2.734 . . . . 0.0 116.238 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--O 1.201 -1.45 0 C-N-CA 128.082 2.553 . . . . 0.0 115.627 176.314 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.549 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -67.4 -23.86 65.61 Favored 'General case' 0 N--CA 1.44 -0.975 0 O-C-N 118.769 -2.457 . . . . 0.0 112.461 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -3.84 0.16 Allowed 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.45 9.92 12.14 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -163.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.1 -51.94 2.8 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 118.061 0.392 . . . . 0.0 111.223 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.19 94.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.326 1.451 . . . . 0.0 114.771 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.44 -41.22 56.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.68 0.752 . . . . 0.0 110.668 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.59 -39.97 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 124.894 1.278 . . . . 0.0 111.997 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -63.18 -39.45 94.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.402 1.881 . . . . 0.0 112.736 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.93 0.892 . . . . 0.0 110.285 163.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -43.43 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 O-C-N 120.668 -1.27 . . . . 0.0 112.747 -167.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.38 68.0 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 121.619 2.009 . . . . 0.0 113.761 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.57 30.79 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 120.364 -1.46 . . . . 0.0 112.55 171.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . 0.741 HG21 ' HB2' ' C' ' 52' ' ' ALA . 59.8 mt -66.93 -36.29 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 127.09 2.156 . . . . 0.0 111.088 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mt -52.5 -50.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 120.891 -1.131 . . . . 0.0 111.347 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -70.3 -40.89 73.96 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 113.46 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.65 59.45 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.407 1.483 . . . . 0.0 112.215 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.54 64.81 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 128.527 2.965 . . . . 0.0 113.83 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.84 43.28 10.14 Favored Glycine 0 C--O 1.193 -2.435 0 C-N-CA 125.153 1.358 . . . . 0.0 114.101 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.179 -2.607 0 C-N-CA 126.067 1.747 . . . . 0.0 115.034 -175.061 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 N--CA 1.444 -0.74 0 N-CA-C 115.599 1.703 . . . . 0.0 115.599 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -5.23 0.21 Allowed 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 120.439 -1.413 . . . . 0.0 114.588 159.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.35 -84.12 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.154 2.181 . . . . 0.0 112.573 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.55 68.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.48 1.037 . . . . 0.0 113.767 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.11 65.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 120.416 -1.428 . . . . 0.0 114.531 173.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.3 -63.16 1.2 Allowed 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.789 0.835 . . . . 0.0 112.178 165.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.36 -30.44 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.979 2.512 . . . . 0.0 113.758 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.27 -37.55 60.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.85 80.75 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 160.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.73 -37.36 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 120.771 -1.206 . . . . 0.0 111.587 -167.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.92 63.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 172.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.44 -30.64 12.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.178 1.391 . . . . 0.0 111.795 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.35 -36.94 78.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 C-N-CA 128.188 2.595 . . . . 0.0 109.251 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 7.2 mt -55.14 -53.92 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 120.041 1.292 . . . . 0.0 111.913 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -58.95 -35.97 74.03 Favored 'General case' 0 C--O 1.18 -2.556 0 C-N-CA 127.555 2.342 . . . . 0.0 113.768 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.1 40.48 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 125.645 1.578 . . . . 0.0 114.957 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.98 75.59 Favored Glycine 0 C--O 1.183 -3.091 0 C-N-CA 128.445 2.926 . . . . 0.0 112.722 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.14 25.79 36.01 Favored Glycine 0 C--O 1.196 -2.25 0 CA-C-N 119.684 1.742 . . . . 0.0 117.402 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 9.7 m-85 . . . . . 0 C--O 1.166 -3.32 0 C-N-CA 127.19 2.196 . . . . 0.0 115.111 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.719 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.39 -22.05 66.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.274 1.43 . . . . 0.0 113.666 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.77 -8.64 0.98 Allowed 'General case' 0 N--CA 1.427 -1.578 0 C-N-CA 125.201 1.401 . . . . 0.0 113.66 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.85 -85.16 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.656 1.982 . . . . 0.0 111.475 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.07 10.91 1.03 Allowed 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -169.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.15 -59.42 2.26 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 127.498 2.319 . . . . 0.0 110.723 162.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.92 -35.32 24.15 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 111.216 -170.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.06 -39.18 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 124.397 1.079 . . . . 0.0 110.829 173.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -61.01 -45.43 94.84 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 120.937 -1.102 . . . . 0.0 112.068 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.45 13.39 0.09 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.914 2.085 . . . . 0.0 116.206 167.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mm -122.03 -60.22 2.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 129.016 2.926 . . . . 0.0 108.99 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.14 67.68 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 118.323 -2.736 . . . . 0.0 115.147 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 -36.62 19.98 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 125.317 1.447 . . . . 0.0 113.669 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.36 -36.18 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 127.301 2.241 . . . . 0.0 111.602 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.37 -49.01 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 120.425 -1.422 . . . . 0.0 110.743 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -53.41 -44.59 68.86 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.089 0.955 . . . . 0.0 112.124 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.63 -31.04 29.02 Favored 'General case' 0 C--O 1.201 -1.5 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.78 -35.5 58.58 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.292 2.853 . . . . 0.0 113.771 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.65 41.13 57.68 Favored Glycine 0 N--CA 1.437 -1.235 0 C-N-CA 123.68 0.657 . . . . 0.0 112.761 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.173 -2.932 0 C-N-CA 126.981 2.113 . . . . 0.0 115.732 -173.319 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.37 -60.26 0.22 Allowed 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.67 66.02 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 125.08 1.352 . . . . 0.0 110.696 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -83.82 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.249 1.42 . . . . 0.0 111.38 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.43 6.52 1.02 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.4 -55.14 3.78 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 127.849 2.46 . . . . 0.0 110.598 164.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.5 -35.94 24.48 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 120.824 -1.172 . . . . 0.0 112.472 -171.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.2 -37.46 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 123.795 0.838 . . . . 0.0 112.504 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -65.08 -38.08 89.6 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 125.517 1.527 . . . . 0.0 110.765 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.748 0.819 . . . . 0.0 111.265 165.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.4 -42.41 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 O-C-N 120.713 -1.242 . . . . 0.0 111.978 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.42 67.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.381 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.34 -45.54 14.77 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.737 2.015 . . . . 0.0 112.873 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.54 -34.15 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 125.913 1.685 . . . . 0.0 112.096 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -51.17 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 124.414 1.086 . . . . 0.0 111.291 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.07 -45.2 95.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.283 1.833 . . . . 0.0 113.795 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.34 77.89 Favored 'General case' 0 C--O 1.211 -0.971 0 C-N-CA 123.665 0.786 . . . . 0.0 112.772 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.45 -32.82 59.35 Favored Glycine 0 C--O 1.205 -1.702 0 C-N-CA 127.332 2.396 . . . . 0.0 112.79 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.36 25.28 26.51 Favored Glycine 0 C--O 1.22 -0.78 0 O-C-N 119.4 -2.236 . . . . 0.0 115.115 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--O 1.174 -2.875 0 C-N-CA 125.79 1.636 . . . . 0.0 114.824 179.731 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.392 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -108.19 -24.71 11.41 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 127.305 2.242 . . . . 0.0 114.035 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.72 -34.98 1.01 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 126.231 1.812 . . . . 0.0 111.334 164.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.12 -1.41 40.08 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.59 -55.65 2.36 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 120.297 -1.502 . . . . 0.0 112.111 150.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.28 -37.75 62.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 128.09 2.556 . . . . 0.0 114.705 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -45.83 17.46 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.26 1.028 . . . . 0.0 109.909 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.7 -39.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.844 1.658 . . . . 0.0 112.339 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.11 -36.43 72.16 Favored 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 126.466 1.906 . . . . 0.0 113.248 -173.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.23 53.83 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 124.038 0.935 . . . . 0.0 111.426 160.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.96 -41.12 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 121.439 -0.788 . . . . 0.0 112.159 -165.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.19 69.05 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 119.712 -1.868 . . . . 0.0 114.415 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.91 34.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 120.877 -1.139 . . . . 0.0 112.022 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.69 -36.5 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.162 2.585 . . . . 0.0 110.978 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -55.24 -53.39 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.533 1.533 . . . . 0.0 110.973 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -61.85 -40.85 96.79 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 127.05 2.14 . . . . 0.0 112.271 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.55 -36.54 32.91 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 123.634 0.774 . . . . 0.0 111.212 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.33 -39.4 97.18 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 127.963 2.697 . . . . 0.0 114.535 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.24 9.23 Favored Glycine 0 C--O 1.202 -1.901 0 CA-C-O 118.774 -1.015 . . . . 0.0 115.382 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--O 1.177 -2.758 0 CA-C-O 122.876 1.322 . . . . 0.0 110.916 170.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt . . . . . 0 N--CA 1.429 -1.511 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.27 -12.75 22.36 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.615 2.766 . . . . 0.0 114.512 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.341 . . -66.11 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -161.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.97 -27.78 54.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.06 -17.12 63.08 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.794 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -105.55 -64.85 1.1 Allowed 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.6 -1.312 . . . . 0.0 111.093 154.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.9 mm -59.21 -31.96 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 124.474 1.11 . . . . 0.0 113.597 -162.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -73.98 -36.82 64.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 120.298 1.408 . . . . 0.0 113.439 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -43.86 67.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.304 0.642 . . . . 0.0 111.088 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.2 mm -72.82 -38.95 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 O-C-N 119.559 -1.963 . . . . 0.0 110.86 -167.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.28 66.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.88 -42.34 13.29 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 111.918 173.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.9 mt -58.12 -39.66 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.587 1.955 . . . . 0.0 110.882 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.6 -52.51 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.041 1.336 . . . . 0.0 113.033 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 3.7 tppt? -60.5 -36.54 78.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.716 0.806 . . . . 0.0 112.109 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -24.96 43.45 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 171.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.98 -34.01 59.16 Favored Glycine 0 C--O 1.207 -1.558 0 C-N-CA 128.014 2.721 . . . . 0.0 113.38 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.57 13.74 62.65 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 118.597 1.199 . . . . 0.0 115.444 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 . . . . . 0 C--O 1.203 -1.393 0 C-N-CA 126.513 1.925 . . . . 0.0 113.22 -178.322 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.037 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.54 -8.88 10.75 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.014 -1.679 . . . . 0.0 114.944 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.03 -4.7 0.35 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 161.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.88 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.09 0.79 4.2 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -165.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.95 -52.11 5.65 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 118.35 -2.719 . . . . 0.0 112.225 164.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.07 -39.02 21.73 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.96 -37.37 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 127.339 2.256 . . . . 0.0 110.984 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -63.82 -45.65 88.64 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.884 0.874 . . . . 0.0 111.118 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 5.01 1.02 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.873 2.069 . . . . 0.0 115.889 165.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.03 -56.23 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 125.728 1.611 . . . . 0.0 112.238 167.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.58 -26.68 68.72 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 121.943 2.156 . . . . 0.0 113.559 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.67 -40.77 63.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.163 1.385 . . . . 0.0 114.173 168.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.794 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.7 mp -72.6 -33.0 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.986 2.114 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.11 -52.75 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 O-C-N 120.09 -1.631 . . . . 0.0 110.617 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -65.03 -42.23 94.52 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.222 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.29 -36.19 54.44 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 125.933 1.693 . . . . 0.0 113.823 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.6 -33.96 33.02 Favored Glycine 0 N--CA 1.434 -1.468 0 C-N-CA 127.111 2.291 . . . . 0.0 111.309 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.77 50.32 6.55 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 119.422 1.611 . . . . 0.0 116.015 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' C' ' 53' ' ' ILE . 8.0 m-85 . . . . . 0 C--O 1.184 -2.36 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.363 -4.818 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.23 -12.96 6.16 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.888 1.675 . . . . 0.0 114.429 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -1.48 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 162.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.96 -93.54 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.068 2.947 . . . . 0.0 111.721 -171.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.06 52.24 Favored 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -106.23 -61.61 1.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 120.85 -1.156 . . . . 0.0 109.506 165.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' B' ' 43' ' ' TYR . 32.1 mm -61.49 -30.83 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.405 1.482 . . . . 0.0 113.215 -165.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -36.37 69.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.425 -1.422 . . . . 0.0 110.884 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.98 82.08 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.389 1.076 . . . . 0.0 113.567 162.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.63 -34.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.098 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.79 66.21 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 121.72 2.054 . . . . 0.0 114.281 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 -36.38 17.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.358 1.463 . . . . 0.0 113.547 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 36.6 mt -62.85 -33.81 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.592 1.957 . . . . 0.0 111.169 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.25 -46.02 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 O-C-N 120.113 -1.617 . . . . 0.0 112.574 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -60.23 -39.59 87.25 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.499 1.92 . . . . 0.0 114.169 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.01 -42.56 57.2 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 112.628 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.52 -34.67 76.74 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 126.663 2.078 . . . . 0.0 115.807 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.56 32.97 17.64 Favored Glycine 0 C--O 1.215 -1.085 0 C-N-CA 125.144 1.355 . . . . 0.0 114.923 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . 0.419 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 4.9 m-85 . . . . . 0 C--O 1.175 -2.84 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -173.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.713 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.86 -36.18 50.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.932 0.893 . . . . 0.0 112.503 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -46.04 -35.41 4.82 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.2 1.8 . . . . 0.0 112.454 166.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.64 3.46 32.76 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.149 1.78 . . . . 0.0 114.468 -171.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.24 -56.41 2.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 O-C-N 120.77 -1.206 . . . . 0.0 111.476 152.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.18 72.76 Favored 'General case' 0 C--O 1.196 -1.723 0 C-N-CA 126.301 1.84 . . . . 0.0 113.392 -168.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -39.68 21.55 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 119.762 1.164 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.7 mm -62.08 -43.7 98.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 124.121 0.968 . . . . 0.0 111.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -66.33 -37.27 84.96 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.496 1.119 . . . . 0.0 112.604 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.93 -60.15 4.0 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 123.85 0.719 . . . . 0.0 111.397 161.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.256 0.4 OUTLIER -68.49 -41.75 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 O-C-N 118.875 -2.391 . . . . 0.0 111.74 -166.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.43 65.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 120.96 1.709 . . . . 0.0 114.035 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.99 -45.5 15.25 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 126.073 1.749 . . . . 0.0 112.459 169.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' C' ' 52' ' ' ALA . 53.7 mt -66.12 -26.69 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 126.27 1.828 . . . . 0.0 111.698 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 39.0 mt -61.04 -50.12 81.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 120.149 -1.595 . . . . 0.0 111.703 171.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -69.99 -42.01 73.64 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.289 1.035 . . . . 0.0 113.008 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.13 -36.91 69.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 123.19 1.472 . . . . 0.0 114.048 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.45 65.74 Favored Glycine 0 C--O 1.204 -1.739 0 C-N-CA 129.171 3.272 . . . . 0.0 111.003 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.58 50.81 7.74 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 115.472 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . 0.403 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 8.7 m-85 . . . . . 0 N--CA 1.433 -1.318 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' B' ' 41' ' ' GLY . . . -51.29 -28.57 12.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.053 1.741 . . . . 0.0 113.384 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.07 8.69 25.51 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -160.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.15 -58.26 2.18 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 124.576 1.15 . . . . 0.0 111.238 149.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.72 -43.46 47.72 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 127.507 2.323 . . . . 0.0 113.163 -171.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.13 -40.71 19.43 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 121.33 -0.856 . . . . 0.0 112.394 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -59.22 -42.35 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 123.872 0.869 . . . . 0.0 112.163 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.83 -55.02 40.56 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.875 2.07 . . . . 0.0 109.348 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 11.73 0.14 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 170.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.16 -64.56 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 127.644 2.378 . . . . 0.0 109.755 161.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -27.24 69.0 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 123.533 2.879 . . . . 0.0 113.027 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.31 57.18 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.122 0.969 . . . . 0.0 111.876 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.508 HG21 ' HB1' ' B' ' 30' ' ' ALA . 1.2 mp -63.66 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 127.157 2.183 . . . . 0.0 112.793 173.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.61 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 123.959 0.904 . . . . 0.0 109.3 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -47.79 82.85 Favored 'General case' 0 C--O 1.208 -1.117 0 C-N-CA 125.539 1.535 . . . . 0.0 112.5 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.99 17.0 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 124.039 0.936 . . . . 0.0 112.212 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.1 -33.35 83.1 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 127.703 2.573 . . . . 0.0 113.841 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 55.23 7.85 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.242 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--O 1.183 -2.405 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.403 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.499 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -65.81 -6.2 11.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 120.042 -1.661 . . . . 0.0 114.861 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 0.98 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 158.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.56 -81.29 0.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.463 1.505 . . . . 0.0 114.239 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.07 9.18 2.09 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 -162.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -52.93 5.7 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.001 1.72 . . . . 0.0 109.083 158.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 15' ' ' ILE . . . -80.55 -49.73 10.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.857 1.263 . . . . 0.0 109.826 -166.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mm -59.2 -36.92 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 128.322 2.649 . . . . 0.0 111.755 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -61.81 -51.43 68.3 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.954 0.901 . . . . 0.0 110.372 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 17.27 0.09 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.471 1.908 . . . . 0.0 115.149 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 mm -127.15 -51.41 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 C-N-CA 126.432 1.893 . . . . 0.0 112.308 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -27.04 68.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 122.153 2.251 . . . . 0.0 115.537 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.21 -44.94 51.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.359 1.463 . . . . 0.0 112.321 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.41 -34.63 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 127.507 2.323 . . . . 0.0 112.859 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.28 -49.94 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 125.291 1.437 . . . . 0.0 111.054 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.03 -40.37 75.23 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.351 2.26 . . . . 0.0 113.004 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.13 -30.16 60.72 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 126.085 1.754 . . . . 0.0 113.834 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 4' ' ' ALA . . . -80.04 -25.02 58.62 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 127.587 2.518 . . . . 0.0 113.796 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.05 38.46 11.24 Favored Glycine 0 C--O 1.195 -2.3 0 C-N-CA 124.755 1.169 . . . . 0.0 115.92 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . 1.119 ' O ' ' CA ' ' B' ' 43' ' ' TYR . 11.0 m-85 . . . . . 1 C--O 0.645 -30.745 1 CA-C-O 134.435 6.826 . . . . 0.0 114.998 171.738 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.149 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -66.53 -16.96 64.54 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 119.736 -1.852 . . . . 0.0 113.92 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.72 -4.61 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 126.748 2.019 . . . . 0.0 114.664 167.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -93.18 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.559 2.344 . . . . 0.0 112.059 -169.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.91 63.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 121.274 1.852 . . . . 0.0 114.791 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.96 -24.34 62.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 119.778 -1.826 . . . . 0.0 114.492 172.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -97.85 -62.06 1.3 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.696 1.236 . . . . 0.0 110.767 162.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.06 -25.68 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 124.799 1.24 . . . . 0.0 112.215 -161.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -36.19 54.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 119.761 1.164 . . . . 0.0 110.86 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.75 73.33 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 161.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -67.11 -39.41 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 O-C-N 120.182 -1.574 . . . . 0.0 110.738 -171.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.14 -21.94 66.85 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.65 -37.02 17.12 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.08 -35.94 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 126.182 1.793 . . . . 0.0 110.578 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.69 -54.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 O-C-N 120.336 -1.477 . . . . 0.0 112.822 170.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -40.3 71.97 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 125.106 1.362 . . . . 0.0 111.846 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.73 -22.4 40.3 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 125.299 1.439 . . . . 0.0 112.713 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.32 -29.97 69.72 Favored Glycine 0 C--O 1.174 -3.642 0 C-N-CA 128.073 2.749 . . . . 0.0 114.258 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.84 16.31 58.31 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 119.652 1.726 . . . . 0.0 115.783 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.434 -1.263 0 C-N-CA 126.969 2.108 . . . . 0.0 115.418 177.457 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.172 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -69.49 -15.97 63.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.322 -1.486 . . . . 0.0 113.315 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.51 -0.99 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 129.546 3.138 . . . . 0.0 115.235 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.11 14.11 5.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.824 2.449 . . . . 0.0 115.597 -169.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.06 -58.25 2.05 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 119.551 -1.968 . . . . 0.0 110.233 151.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.63 51.9 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 128.737 2.815 . . . . 0.0 114.857 -169.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.79 25.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.423 0.63 . . . . 0.0 111.983 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 46.1 mm -71.19 -39.82 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 125.083 1.353 . . . . 0.0 111.18 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -66.11 -36.61 83.63 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 126.504 1.922 . . . . 0.0 114.078 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -64.04 0.96 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.593 0.757 . . . . 0.0 112.701 157.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.32 -43.13 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.165 -165.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.83 65.4 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.05 -37.43 17.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.037 1.335 . . . . 0.0 110.455 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' C' ' 52' ' ' ALA . 65.8 mt -70.12 -34.17 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 128.559 2.744 . . . . 0.0 110.469 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 36.4 mt -57.04 -54.65 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 119.643 1.11 . . . . 0.0 112.108 169.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -58.72 -41.45 86.4 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.102 1.361 . . . . 0.0 114.212 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.82 56.78 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.26 -19.38 72.1 Favored Glycine 0 C--O 1.216 -1.026 0 C-N-CA 128.218 2.818 . . . . 0.0 113.829 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.41 52.13 54.51 Favored Glycine 0 C--O 1.21 -1.389 0 CA-C-N 118.903 1.352 . . . . 0.0 113.678 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . 0.423 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 2.0 m-85 . . . . . 0 C--O 1.183 -2.395 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -171.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.1 mttt . . . . . 0 N--CA 1.44 -0.96 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.99 -7.48 0.48 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.463 2.305 . . . . 0.0 114.473 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.264 . . -54.32 -89.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.239 2.616 . . . . 0.0 113.829 -177.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 36.29 0.39 Allowed 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.086 -1.634 . . . . 0.0 112.761 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.3 -39.03 3.45 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 131.523 3.929 . . . . 0.0 111.185 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.03 -45.36 5.43 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 125.763 1.625 . . . . 0.0 110.993 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -60.62 -33.23 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 124.646 1.178 . . . . 0.0 111.088 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' ALA . 25.5 pttt -57.18 -56.69 18.48 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.849 0.749 . . . . 0.0 112.027 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . . . -52.24 -48.08 65.38 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.722 -2.035 . . . . 0.0 111.511 170.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -42.38 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.152 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -18.84 65.57 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 121.408 1.913 . . . . 0.0 113.986 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.16 -43.5 14.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.847 1.259 . . . . 0.0 112.446 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.09 -28.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 126.939 2.096 . . . . 0.0 109.259 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.78 -52.32 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 120.787 1.63 . . . . 0.0 110.819 170.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -65.29 -43.58 90.69 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.763 1.625 . . . . 0.0 113.514 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.21 -31.68 23.06 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 124.304 1.042 . . . . 0.0 112.827 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.06 -47.95 50.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 128.613 3.006 . . . . 0.0 110.983 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.59 36.09 3.62 Favored Glycine 0 C--O 1.203 -1.782 0 C-N-CA 126.396 1.951 . . . . 0.0 115.7 173.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--O 1.198 -1.629 0 CA-C-N 119.939 1.87 . . . . 0.0 111.62 175.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.124 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.9 -11.17 11.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -17.25 0.1 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.379 1.872 . . . . 0.0 114.18 160.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.32 -89.96 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 128.244 2.617 . . . . 0.0 113.783 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.14 35.41 0.38 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 121.469 0.652 . . . . 0.0 111.727 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.1 -35.03 6.22 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 127.995 2.518 . . . . 0.0 112.231 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.73 -54.9 3.07 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.752 1.263 . . . . 0.0 112.087 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.79 -34.0 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 126.747 2.019 . . . . 0.0 112.871 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.549 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 8.5 ptmt -52.01 -61.58 2.17 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 123.303 1.525 . . . . 0.0 114.175 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -57.41 -45.26 84.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 112.662 -2.063 . . . . 0.0 110.586 171.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mm -68.23 -44.06 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.552 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.66 64.94 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 121.313 1.87 . . . . 0.0 114.573 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.97 -36.92 13.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.589 1.955 . . . . 0.0 112.694 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.66 -37.65 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 126.885 2.074 . . . . 0.0 110.65 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.38 -51.11 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 C-N-CA 123.114 0.566 . . . . 0.0 112.2 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.13 -42.07 69.08 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 125.083 1.353 . . . . 0.0 112.586 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.38 56.13 Favored 'General case' 0 C--O 1.2 -1.531 0 C-N-CA 126.556 1.942 . . . . 0.0 115.883 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.41 -17.59 54.79 Favored Glycine 0 C--O 1.213 -1.203 0 C-N-CA 128.108 2.766 . . . . 0.0 116.908 -165.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 118.181 0.99 . . . . 0.0 113.435 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 . . . . . 0 C--O 1.156 -3.865 0 C-N-CA 127.463 2.305 . . . . 0.0 115.531 173.77 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.531 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' C' ' 49' ' ' ALA . 71.0 mmtt -61.62 -17.12 53.95 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.49 2.316 . . . . 0.0 113.517 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -3.55 0.21 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 129.513 3.125 . . . . 0.0 114.548 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -67.81 -80.15 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.891 2.476 . . . . 0.0 114.196 -163.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -0.51 2.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.45 -64.92 1.08 Allowed 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.708 -1.245 . . . . 0.0 110.057 159.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.78 3.07 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 119.017 0.826 . . . . 0.0 112.247 -169.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -13.74 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 119.414 1.006 . . . . 0.0 111.545 -165.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.97 -40.11 12.56 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 127.037 2.135 . . . . 0.0 108.476 -165.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.51 -46.97 77.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 123.574 0.75 . . . . 0.0 110.929 160.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.6 -39.29 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 O-C-N 119.974 -1.703 . . . . 0.0 111.138 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.01 -23.98 66.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.62 -37.35 18.15 Favored 'General case' 0 C--O 1.21 -0.99 0 C-N-CA 125.512 1.525 . . . . 0.0 111.816 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.16 -34.16 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 O-C-N 119.965 -1.709 . . . . 0.0 111.186 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 124.865 1.266 . . . . 0.0 112.675 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.8 -38.74 92.22 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -31.55 72.6 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.117 1.767 . . . . 0.0 114.028 165.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.33 79.91 Favored Glycine 0 C--O 1.177 -3.425 0 C-N-CA 128.183 2.801 . . . . 0.0 115.921 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.97 20.16 79.85 Favored Glycine 0 C--N 1.298 -1.55 0 O-C-N 119.63 -2.1 . . . . 0.0 115.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.438 -1.034 0 C-N-CA 127.559 2.344 . . . . 0.0 116.853 177.509 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.117 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' D' ' 71' ' ' ALA . 46.8 mmtm -65.18 -14.93 61.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.78 1.05 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -81.63 5.93 16.68 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 127.279 2.232 . . . . 0.0 115.514 -165.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.45 -55.76 2.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 118.111 0.414 . . . . 0.0 110.592 154.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.83 75.62 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.678 1.991 . . . . 0.0 113.819 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.8 32.5 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 122.851 1.31 . . . . 0.0 110.839 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mm -67.62 -44.03 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.69 -1.257 . . . . 0.0 113.358 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.76 -31.16 71.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.407 1.483 . . . . 0.0 112.308 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.77 -64.19 0.99 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.529 0.681 . . . . 0.0 110.931 160.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.287 1.3 tt -69.42 -41.23 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 O-C-N 119.909 -1.745 . . . . 0.0 110.973 -164.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -22.46 66.97 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.37 -36.95 16.29 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 125.098 1.359 . . . . 0.0 111.643 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 125.238 1.415 . . . . 0.0 111.379 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mt -59.69 -50.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.093 1.757 . . . . 0.0 111.66 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -61.85 -30.19 70.68 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.05 33.21 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 125.848 1.659 . . . . 0.0 114.941 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.83 -22.64 27.69 Favored Glycine 0 C--O 1.179 -3.296 0 C-N-CA 128.463 2.935 . . . . 0.0 115.516 -163.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.51 37.03 89.51 Favored Glycine 0 C--O 1.196 -2.28 0 CA-C-N 119.326 1.563 . . . . 0.0 115.909 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 . . . . . 0 C--O 1.193 -1.916 0 O-C-N 120.162 -1.787 . . . . 0.0 114.55 177.117 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.43 -15.27 35.37 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 116.181 1.919 . . . . 0.0 116.181 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -58.95 -12.45 4.56 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 127.851 2.46 . . . . 0.0 113.938 169.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.14 -10.78 0.39 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.732 1.613 . . . . 0.0 113.656 163.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.64 -81.08 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 126.9 2.08 . . . . 0.0 113.906 -169.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.22 2.85 2.54 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -169.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.18 -51.06 5.78 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 124.568 1.147 . . . . 0.0 112.934 161.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -65.9 0.64 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 124.506 1.122 . . . . 0.0 113.496 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.508 HD13 ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.91 -24.41 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 123.156 0.582 . . . . 0.0 112.562 -168.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' N ' HD13 ' A' ' 9' ' ' ILE . 3.1 tmtt? -76.1 -44.82 36.91 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 128.082 2.553 . . . . 0.0 109.647 -168.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.12 78.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.293 1.037 . . . . 0.0 112.561 162.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -64.03 -35.49 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-O 117.047 -1.454 . . . . 0.0 109.834 -171.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.38 -20.49 65.56 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.39 -41.83 13.29 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 124.507 1.123 . . . . 0.0 113.185 172.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.29 -33.69 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 129.422 3.089 . . . . 0.0 109.171 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.0 mt -60.41 -58.69 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 C-N-CA 125.715 1.606 . . . . 0.0 111.713 170.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -56.26 -39.93 73.39 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 123.578 0.751 . . . . 0.0 112.887 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.83 60.71 Favored 'General case' 0 C--O 1.202 -1.403 0 C-N-CA 125.779 1.632 . . . . 0.0 114.372 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.01 -22.21 78.2 Favored Glycine 0 C--O 1.202 -1.852 0 C-N-CA 126.732 2.111 . . . . 0.0 112.791 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.51 29.3 72.92 Favored Glycine 0 N--CA 1.432 -1.59 0 CA-C-N 118.673 1.237 . . . . 0.0 114.777 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -51.68 -31.72 27.0 Favored 'General case' 0 C--O 1.177 -2.714 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.816 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -1.555 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 53.72 16.98 1.12 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 129.043 2.937 . . . . 0.0 116.984 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -67.95 -10.92 57.35 Favored 'General case' 0 C--O 1.205 -1.253 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.18 -7.85 0.25 Allowed 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 127.245 2.218 . . . . 0.0 114.761 163.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.54 -80.94 0.03 OUTLIER 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 124.145 0.978 . . . . 0.0 112.652 -169.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.73 13.93 0.32 Allowed 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.35 -62.72 1.45 Allowed 'General case' 0 N--CA 1.439 -0.979 0 O-C-N 119.473 -2.017 . . . . 0.0 112.386 153.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.34 -35.14 47.99 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 122.111 0.958 . . . . 0.0 111.624 -169.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.16 -41.63 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 C-N-CA 125.737 1.615 . . . . 0.0 111.937 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -64.0 -38.31 90.59 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 123.697 0.799 . . . . 0.0 112.743 177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.41 -52.72 64.39 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.72 164.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 0.7 OUTLIER -64.02 -44.82 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 120.14 1.337 . . . . 0.0 112.483 -173.346 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.3 -16.21 64.14 Favored 'General case' 0 N--CA 1.44 -0.937 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.48 -33.93 15.0 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 126.386 1.874 . . . . 0.0 111.93 171.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.96 -32.14 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.841 1.656 . . . . 0.0 109.63 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' B' ' 43' ' ' TYR . 54.1 mt -59.26 -57.64 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 O-C-N 120.564 -1.335 . . . . 0.0 111.13 171.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -53.1 -44.64 67.77 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.566 1.546 . . . . 0.0 115.119 175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.24 -30.27 60.48 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 126.041 1.736 . . . . 0.0 113.701 176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.55 -33.84 21.15 Favored Glycine 0 C--O 1.184 -2.969 0 C-N-CA 125.75 1.643 . . . . 0.0 113.786 -174.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.28 36.0 22.02 Favored Glycine 0 N--CA 1.42 -2.418 0 C-N-CA 127.553 2.502 . . . . 0.0 118.016 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' B' ' 38' ' ' ILE . 9.5 m-85 -54.65 -25.94 30.04 Favored 'General case' 0 C--O 1.176 -2.804 0 N-CA-C 116.384 1.994 . . . . 0.0 116.384 -175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.865 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.183 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.15 -5.67 28.79 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 116.466 2.025 . . . . 0.0 116.466 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -55.67 -34.07 64.68 Favored 'General case' 0 N--CA 1.42 -1.943 0 O-C-N 118.847 -2.408 . . . . 0.0 115.045 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.7 -12.69 1.97 Allowed 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.467 1.907 . . . . 0.0 114.833 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -85.71 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.138 1.375 . . . . 0.0 112.225 -169.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.67 32.9 0.13 Allowed 'General case' 0 C--O 1.197 -1.67 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.65 -27.62 4.69 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 131.539 3.935 . . . . 0.0 112.825 170.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.415 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.44 -49.31 3.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.675 1.59 . . . . 0.0 112.527 167.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 41.5 mm -55.15 -34.31 32.26 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 C-N-CA 124.298 1.039 . . . . 0.0 111.504 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . 0.651 ' HG3' ' H ' ' C' ' 55' ' ' ALA . 18.2 ptmt -55.27 -61.3 2.42 Favored 'General case' 0 C--O 1.208 -1.079 0 C-N-CA 124.72 1.208 . . . . 0.0 113.64 174.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . 0.651 ' H ' ' HG3' ' C' ' 54' ' ' LYS . . . -64.45 12.47 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 130.183 3.393 . . . . 0.0 115.427 166.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 17.6 mm -122.18 -50.07 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-O 117.143 -1.408 . . . . 0.0 109.949 170.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.87 -24.04 67.59 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 121.13 1.786 . . . . 0.0 113.676 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.37 -38.89 49.1 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.481 1.513 . . . . 0.0 113.116 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.4 -31.82 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.612 1.965 . . . . 0.0 110.89 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 18.9 mt -53.67 -51.56 42.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 O-C-N 120.018 -1.676 . . . . 0.0 110.873 168.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -61.26 -47.46 85.94 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 128.145 2.578 . . . . 0.0 111.445 178.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.4 -36.56 71.4 Favored 'General case' 0 C--O 1.206 -1.194 0 C-N-CA 125.875 1.67 . . . . 0.0 111.345 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.08 -35.86 89.67 Favored Glycine 0 C--O 1.198 -2.122 0 C-N-CA 130.433 3.873 . . . . 0.0 111.785 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.28 42.93 17.53 Favored Glycine 0 C--O 1.216 -0.974 0 C-N-CA 127.304 2.383 . . . . 0.0 113.704 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -63.99 135.03 56.11 Favored 'General case' 0 C--O 1.175 -2.848 0 CA-C-O 123.71 1.719 . . . . 0.0 112.265 175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.267 -2.992 0 O-C-N 117.306 -3.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . 0.424 ' O ' ' HB3' ' D' ' 70' ' ' ALA . . . . . . . . 0 C--O 1.174 -2.884 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.82 60.81 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -51.33 -51.48 53.99 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 126.037 1.735 . . . . 0.0 111.842 162.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' D' ' 67' ' ' ACE . . . -45.74 -39.26 7.91 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.578 171.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.12 4.74 29.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.211 1.804 . . . . 0.0 115.134 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.39 -62.24 1.32 Allowed 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 120.987 -1.07 . . . . 0.0 110.109 150.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.73 -37.23 65.64 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.389 1.876 . . . . 0.0 115.228 -166.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.24 -40.06 46.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.697 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -69.42 -44.25 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 114.122 -1.399 . . . . 0.0 111.398 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -71.13 -29.41 65.21 Favored 'General case' 0 N--CA 1.439 -1.001 0 C-N-CA 125.612 1.565 . . . . 0.0 114.284 -177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -64.58 0.9 Allowed 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.879 156.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.84 -39.79 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 118.43 -2.668 . . . . 0.0 112.064 -164.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.68 -12.64 61.43 Favored 'General case' 0 C--O 1.196 -1.745 0 O-C-N 120.028 -1.67 . . . . 0.0 113.979 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.08 -35.65 10.35 Favored 'General case' 0 N--CA 1.439 -1.017 0 O-C-N 119.573 -1.954 . . . . 0.0 113.464 172.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . 0.415 HG21 ' HB2' ' C' ' 52' ' ' ALA . 83.8 mt -70.93 -27.58 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 C-N-CA 125.45 1.5 . . . . 0.0 109.294 174.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mt -66.25 -50.32 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 120.853 1.661 . . . . 0.0 111.992 173.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -53.93 -36.22 62.53 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.84 -42.43 14.15 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 125.323 1.449 . . . . 0.0 112.591 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.28 -30.7 77.2 Favored Glycine 0 C--O 1.197 -2.186 0 C-N-CA 127.954 2.693 . . . . 0.0 115.063 -178.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.66 32.62 57.13 Favored Glycine 0 C--O 1.182 -3.118 0 C-N-CA 125.21 1.386 . . . . 0.0 115.851 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -52.08 -25.19 8.12 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 127.951 2.5 . . . . 0.0 117.024 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.256 -3.469 0 O-C-N 119.198 -2.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.33 15.35 0.66 Allowed 'General case' 0 N--CA 1.433 -1.307 0 C-N-CA 130.271 3.429 . . . . 0.0 116.827 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -67.21 -14.32 62.8 Favored 'General case' 0 N--CA 1.439 -0.976 0 O-C-N 119.284 -2.135 . . . . 0.0 116.274 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.33 1.03 0.09 Allowed 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.061 2.145 . . . . 0.0 116.387 171.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.46 9.46 23.56 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 116.666 2.098 . . . . 0.0 116.666 -160.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -108.88 -54.21 2.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.477 -1.39 . . . . 0.0 111.877 151.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.97 -34.89 68.54 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 127.185 2.194 . . . . 0.0 113.47 -167.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.01 -40.27 15.98 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 119.494 1.043 . . . . 0.0 111.903 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.3 mm -64.47 -44.92 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.442 1.497 . . . . 0.0 112.502 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -65.22 -38.77 91.46 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 127.092 2.157 . . . . 0.0 110.27 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.17 -59.25 5.38 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 118.745 0.702 . . . . 0.0 111.417 162.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.82 -45.79 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.191 1.396 . . . . 0.0 113.357 -168.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.82 -23.77 67.49 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 120.971 1.714 . . . . 0.0 113.987 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.61 -39.09 16.47 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.964 1.306 . . . . 0.0 112.34 174.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.76 -33.51 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 125.847 1.659 . . . . 0.0 109.593 172.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.7 mt -64.21 -57.94 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 119.838 1.199 . . . . 0.0 112.13 174.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -43.65 32.04 Favored 'General case' 0 C--O 1.212 -0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 112.052 174.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.27 -24.4 25.99 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 124.717 1.207 . . . . 0.0 113.478 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.28 -39.18 44.41 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 128.28 2.848 . . . . 0.0 113.69 -175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.84 27.36 29.24 Favored Glycine 0 C--O 1.195 -2.323 0 C-N-CA 126.648 2.071 . . . . 0.0 114.06 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -54.63 -30.64 55.51 Favored 'General case' 0 C--O 1.179 -2.612 0 C-N-CA 126.272 1.829 . . . . 0.0 114.9 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.25 -8.84 9.26 Favored 'General case' 0 N--CA 1.438 -1.052 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -61.67 -16.08 45.74 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 167.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.61 -13.27 0.93 Allowed 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 125.488 1.515 . . . . 0.0 114.951 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' B' ' 29' ' ' ALA . . . -60.3 -92.99 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 129.402 3.081 . . . . 0.0 113.085 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.62 33.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.599 1.16 . . . . 0.0 112.588 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' B' ' 27' ' ' ALA . . . -112.83 -37.11 4.95 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 129.632 3.173 . . . . 0.0 111.934 166.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.87 -56.78 2.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 124.582 1.153 . . . . 0.0 111.313 172.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 35.9 mm -52.68 -29.66 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 C-N-CA 126.26 1.824 . . . . 0.0 113.499 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.645 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 37.7 pttt -60.72 -60.7 3.38 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 123.687 1.708 . . . . 0.0 114.113 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.645 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -53.98 -48.07 70.73 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 112.623 -2.081 . . . . 0.0 111.467 167.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 16.5 mm -67.66 -41.32 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 124.572 1.149 . . . . 0.0 110.948 -172.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -20.22 66.31 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 121.359 1.89 . . . . 0.0 114.965 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.39 -38.03 16.53 Favored 'General case' 0 C--O 1.214 -0.778 0 C-N-CA 126.966 2.106 . . . . 0.0 113.166 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.87 -34.94 73.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.476 2.311 . . . . 0.0 109.34 173.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 22.3 mt -64.54 -51.7 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 124.807 1.243 . . . . 0.0 111.256 173.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -56.69 -42.27 78.79 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 123.688 0.795 . . . . 0.0 113.138 177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.02 -31.69 68.26 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 127.21 2.204 . . . . 0.0 112.531 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.69 -15.1 81.5 Favored Glycine 0 C--O 1.218 -0.848 0 C-N-CA 127.786 2.613 . . . . 0.0 116.817 -174.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.49 77.7 Favored Glycine 0 C--O 1.211 -1.293 0 O-C-N 120.857 -1.378 . . . . 0.0 115.102 177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -58.24 -35.01 71.06 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 127.504 2.322 . . . . 0.0 113.433 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 O-C-N 119.448 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.758 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.77 -18.32 20.94 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 125.981 1.713 . . . . 0.0 115.448 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.79 -13.98 57.38 Favored 'General case' 0 C--O 1.203 -1.384 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 173.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.14 -4.58 0.53 Allowed 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 126.338 1.855 . . . . 0.0 114.816 167.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -71.17 0.36 Allowed 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.725 1.61 . . . . 0.0 115.201 -167.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.47 -2.01 15.22 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.655 1.982 . . . . 0.0 115.957 -169.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.66 -55.43 4.12 Favored 'General case' 0 C--O 1.199 -1.584 0 O-C-N 121.175 -0.953 . . . . 0.0 110.111 159.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.69 -69.54 0.24 Allowed 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 126.466 1.906 . . . . 0.0 113.61 -173.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.432 HD13 ' N ' ' C' ' 54' ' ' LYS . 0.0 OUTLIER -67.65 -18.89 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 O-C-N 120.692 -1.255 . . . . 0.0 112.257 -166.108 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . 0.432 ' N ' HD13 ' C' ' 53' ' ' ILE . 2.3 tmtp? -78.16 -40.7 37.09 Favored 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 127.766 2.427 . . . . 0.0 110.215 -171.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.07 95.52 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 121.467 -0.771 . . . . 0.0 112.98 161.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 96.6 mt -79.15 -27.24 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 CA-C-O 117.929 -1.034 . . . . 0.0 111.466 -166.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -29.4 65.63 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 119.168 -2.207 . . . . 0.0 113.397 167.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.69 -40.01 23.44 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 125.597 1.559 . . . . 0.0 113.054 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 28.1 mt -67.62 -28.17 40.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 126.38 1.872 . . . . 0.0 111.187 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' C' ' 65' ' ' TYR . 11.4 mt -61.51 -53.27 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.146 -1.596 . . . . 0.0 110.011 172.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -62.75 -41.84 99.39 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.805 1.642 . . . . 0.0 111.599 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.19 -23.44 57.67 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 125.589 1.555 . . . . 0.0 113.861 176.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.59 -33.66 55.47 Favored Glycine 0 C--O 1.193 -2.463 0 C-N-CA 129.375 3.369 . . . . 0.0 112.815 170.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.15 25.42 34.01 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-N 119.505 1.652 . . . . 0.0 113.161 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . 0.42 ' HD2' ' HA ' ' C' ' 60' ' ' ILE . 11.4 m-85 -58.83 -20.65 52.53 Favored 'General case' 0 C--O 1.187 -2.209 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 177.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.649 0 O-C-N 118.988 -2.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.177 -2.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.91 -47.55 51.85 Favored 'General case' 0 C--N 1.288 -2.095 0 C-N-CA 125.602 1.561 . . . . 0.0 114.869 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -77.67 -43.22 31.97 Favored 'General case' 0 N--CA 1.436 -1.16 0 C-N-CA 129.212 3.005 . . . . 0.0 112.689 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.83 -34.59 5.47 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 113.403 -1.726 . . . . 0.0 111.217 168.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.55 5.65 23.35 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 126.048 1.739 . . . . 0.0 114.559 -174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.97 -56.85 2.27 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 118.925 -0.56 . . . . 0.0 111.871 149.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.83 -40.62 60.81 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 127.54 2.336 . . . . 0.0 113.928 -170.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.22 -36.72 22.56 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 123.582 1.658 . . . . 0.0 112.974 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mm -66.17 -42.83 91.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.898 -1.047 . . . . 0.0 111.202 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -62.01 -34.69 76.66 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 124.497 1.119 . . . . 0.0 111.885 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.72 -60.44 3.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.4 1.08 . . . . 0.0 109.312 165.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.298 1.5 tt -62.27 -45.75 98.04 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 O-C-N 120.626 -1.296 . . . . 0.0 111.696 -169.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.62 -16.75 63.44 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.97 -44.03 11.92 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 125.125 1.37 . . . . 0.0 110.761 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.6 mt -64.43 -34.02 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.705 0 C-N-CA 126.855 2.062 . . . . 0.0 111.036 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 60.0 mt -62.1 -48.48 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 C-N-CA 125.41 1.484 . . . . 0.0 110.803 177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -65.11 -46.51 80.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 126.585 1.954 . . . . 0.0 112.443 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -39.28 51.97 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 126.424 1.89 . . . . 0.0 113.103 -173.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.36 -34.65 80.42 Favored Glycine 0 C--O 1.212 -1.247 0 C-N-CA 125.8 1.667 . . . . 0.0 112.957 169.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.03 52.02 8.36 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 126.58 2.038 . . . . 0.0 112.842 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 37.6 m-85 -57.42 150.54 18.3 Favored 'General case' 0 C--O 1.205 -1.244 0 CA-C-N 119.158 1.479 . . . . 0.0 111.858 174.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.187 0 O-C-N 118.888 -2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.255 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.02 61.98 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -61.05 -16.6 45.49 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 126.083 1.753 . . . . 0.0 113.619 173.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.59 -11.48 1.35 Allowed 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 126.995 2.118 . . . . 0.0 114.092 167.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.57 -87.19 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 125.871 1.668 . . . . 0.0 113.416 -167.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.44 1.29 Allowed 'General case' 0 N--CA 1.437 -1.092 0 O-C-N 119.559 -1.963 . . . . 0.0 115.214 -167.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.16 -44.32 9.32 Favored 'General case' 0 C--O 1.184 -2.394 0 C-N-CA 125.781 1.633 . . . . 0.0 111.633 164.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.0 -37.89 12.56 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 118.698 -2.502 . . . . 0.0 110.458 -175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -58.97 -39.35 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 C-N-CA 124.896 1.278 . . . . 0.0 110.919 172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -53.9 -51.02 65.06 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 119.575 1.08 . . . . 0.0 113.097 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.33 6.46 0.78 Allowed 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 127.233 2.213 . . . . 0.0 115.953 172.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mt -109.64 -61.99 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.416 2.286 . . . . 0.0 110.774 156.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.73 -33.39 64.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 123.754 2.979 . . . . 0.0 113.733 -169.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.51 -41.08 76.51 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.339 1.456 . . . . 0.0 113.072 170.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.648 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -70.82 -34.43 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.645 1.978 . . . . 0.0 110.872 175.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.6 mt -51.86 -46.82 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 CA-C-N 121.344 1.884 . . . . 0.0 110.948 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -75.22 -44.69 44.84 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.331 1.452 . . . . 0.0 113.859 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.65 -43.04 17.42 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -172.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.72 -36.28 93.09 Favored Glycine 0 N--CA 1.44 -1.07 0 C-N-CA 125.713 1.625 . . . . 0.0 112.849 163.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.19 62.35 3.35 Favored Glycine 0 C--O 1.213 -1.181 0 C-N-CA 127.04 2.257 . . . . 0.0 112.315 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -53.21 -43.47 67.23 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 120.172 1.986 . . . . 0.0 115.424 -175.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.72 -22.06 56.64 Favored 'General case' 0 N--CA 1.428 -1.545 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -57.49 -15.66 7.63 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 116.349 1.981 . . . . 0.0 116.349 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.51 -13.42 0.37 Allowed 'General case' 0 N--CA 1.435 -1.175 0 C-N-CA 127.391 2.277 . . . . 0.0 112.876 165.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -81.89 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 128.034 2.534 . . . . 0.0 110.446 -170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.17 -26.98 68.08 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -169.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.04 -12.21 60.4 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.648 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -104.53 -69.22 0.82 Allowed 'General case' 0 N--CA 1.441 -0.911 0 O-C-N 120.282 -1.512 . . . . 0.0 110.106 150.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.1 mm -58.78 -27.74 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 127.456 2.302 . . . . 0.0 113.631 -157.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.55 32.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 120.799 -1.188 . . . . 0.0 111.793 -175.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.75 85.99 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 125.049 1.34 . . . . 0.0 110.915 163.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.93 -38.98 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 120.249 -1.532 . . . . 0.0 110.925 -168.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.32 -17.65 64.69 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 120.938 1.699 . . . . 0.0 113.386 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.03 -39.44 12.94 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 126.36 1.864 . . . . 0.0 113.279 171.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -63.44 -31.48 53.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 126.661 1.985 . . . . 0.0 110.371 171.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -60.77 -53.45 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 O-C-N 120.213 -1.554 . . . . 0.0 111.383 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.42 -35.53 72.21 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 126.965 2.106 . . . . 0.0 113.106 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.38 -29.67 33.91 Favored 'General case' 0 C--O 1.205 -1.281 0 C-N-CA 124.879 1.271 . . . . 0.0 113.68 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.28 56.9 Favored Glycine 0 C--O 1.214 -1.097 0 C-N-CA 127.957 2.694 . . . . 0.0 111.438 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.57 29.35 24.47 Favored Glycine 0 N--CA 1.437 -1.246 0 C-N-CA 126.181 1.848 . . . . 0.0 114.119 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -54.72 -29.4 53.34 Favored 'General case' 0 C--O 1.19 -2.036 0 C-N-CA 127.939 2.496 . . . . 0.0 114.531 -171.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.071 0 O-C-N 118.382 -2.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.92 6.16 1.14 Allowed 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 127.424 2.29 . . . . 0.0 117.064 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -62.09 -17.26 57.08 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 126.235 1.814 . . . . 0.0 114.694 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.71 -11.79 0.65 Allowed 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 126.866 2.067 . . . . 0.0 114.219 167.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.79 -87.79 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.414 2.286 . . . . 0.0 110.672 -165.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.05 65.91 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 120.543 -1.348 . . . . 0.0 113.878 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -17.1 55.91 Favored 'General case' 0 C--O 1.205 -1.286 0 C-N-CA 125.547 1.539 . . . . 0.0 115.115 175.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.636 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -103.48 -61.48 1.42 Allowed 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.322 1.419 . . . . 0.0 110.345 156.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mm -65.72 -27.56 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 C-N-CA 125.546 1.538 . . . . 0.0 112.204 -158.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -72.48 -40.01 67.27 Favored 'General case' 0 N--CA 1.447 -0.623 0 O-C-N 121.214 -0.929 . . . . 0.0 112.61 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.64 -39.87 80.55 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 123.735 0.647 . . . . 0.0 111.896 165.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . 0.404 HD12 ' HB1' ' C' ' 52' ' ' ALA 0.262 46.6 mt -79.1 -33.36 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 CA-C-O 117.59 -1.195 . . . . 0.0 110.344 -166.237 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.82 -18.36 64.04 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 121.663 2.029 . . . . 0.0 114.217 171.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.37 -36.99 14.3 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 126.807 2.043 . . . . 0.0 113.152 171.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 22.0 mt -64.48 -35.38 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 126.748 2.019 . . . . 0.0 111.238 170.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 14.4 mt -57.32 -52.71 53.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 O-C-N 119.284 -2.135 . . . . 0.0 111.553 171.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -59.4 -38.14 79.8 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 125.654 1.582 . . . . 0.0 113.229 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.7 -35.72 60.21 Favored 'General case' 0 C--O 1.205 -1.257 0 C-N-CA 125.698 1.599 . . . . 0.0 113.778 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.84 -25.56 71.47 Favored Glycine 0 C--O 1.214 -1.101 0 C-N-CA 126.865 2.174 . . . . 0.0 113.976 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.49 41.94 35.0 Favored Glycine 0 N--CA 1.43 -1.701 0 CA-C-N 118.592 1.196 . . . . 0.0 114.2 178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -63.67 -24.69 67.89 Favored 'General case' 0 C--O 1.185 -2.329 0 C-N-CA 127.403 2.281 . . . . 0.0 113.264 175.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.439 0 O-C-N 118.849 -2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.223 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -137.73 20.2 2.87 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.429 1.492 . . . . 0.0 113.995 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -57.95 -43.3 86.3 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 124.896 1.278 . . . . 0.0 112.148 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.41 -8.99 29.43 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 128.49 2.716 . . . . 0.0 114.528 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -88.82 12.25 15.61 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -156.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.01 -58.13 2.1 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 153.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.36 79.63 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 118.606 -2.559 . . . . 0.0 114.67 -166.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -33.0 44.66 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-O 121.417 0.627 . . . . 0.0 112.154 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 43.6 mm -69.18 -38.76 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 124.85 1.26 . . . . 0.0 111.588 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -72.27 -30.43 64.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 124.685 1.194 . . . . 0.0 112.16 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.98 -62.11 2.13 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 125.615 1.822 . . . . 0.0 111.462 159.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.9 tt -67.81 -41.91 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.87 -167.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.31 -18.06 65.13 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 120.769 1.622 . . . . 0.0 114.18 -178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.86 -44.1 11.33 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 125.347 1.459 . . . . 0.0 111.981 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . 0.636 HG21 ' HB2' ' C' ' 52' ' ' ALA . 63.0 mt -64.71 -30.52 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 126.422 1.889 . . . . 0.0 110.418 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.22 -52.41 61.71 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 O-C-N 121.301 -0.874 . . . . 0.0 110.394 172.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -61.72 -45.81 92.33 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 174.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.59 -40.0 66.91 Favored 'General case' 0 N--CA 1.441 -0.916 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 -176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.95 -35.96 53.03 Favored Glycine 0 C--O 1.212 -1.224 0 C-N-CA 127.915 2.674 . . . . 0.0 112.097 178.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.28 53.21 5.73 Favored Glycine 0 N--CA 1.437 -1.273 0 C-N-CA 124.971 1.272 . . . . 0.0 114.192 179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -61.9 -29.24 70.07 Favored 'General case' 0 C--O 1.173 -2.921 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.494 0 O-C-N 118.182 -2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.176 -2.775 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.51 11.42 0.12 Allowed 'General case' 0 N--CA 1.427 -1.584 0 C-N-CA 130.564 3.546 . . . . 0.0 118.008 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -62.66 -21.72 65.92 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.53 -8.51 6.45 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 126.904 2.081 . . . . 0.0 113.537 169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.289 . . -63.8 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.695 1.598 . . . . 0.0 113.531 -169.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.13 62.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 120.841 1.655 . . . . 0.0 114.232 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.05 -20.5 53.86 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 117.033 2.235 . . . . 0.0 117.033 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.728 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -101.82 -65.49 0.98 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.496 0.665 . . . . 0.0 111.541 156.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.1 mm -59.45 -30.14 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 C-N-CA 124.367 1.067 . . . . 0.0 113.724 -160.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -42.04 63.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 123.368 0.667 . . . . 0.0 111.932 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.07 -43.13 83.42 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.727 0.811 . . . . 0.0 111.17 166.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mm -71.68 -40.75 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 119.716 1.143 . . . . 0.0 110.711 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.77 -19.81 66.03 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 120.804 1.638 . . . . 0.0 114.573 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.79 -41.3 19.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.385 1.074 . . . . 0.0 112.532 167.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mt -67.43 -26.81 36.72 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 C-N-CA 127.497 2.319 . . . . 0.0 110.748 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 11.4 mt -58.72 -50.72 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 O-C-N 120.287 -1.508 . . . . 0.0 111.976 170.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -62.95 -48.1 80.36 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 124.936 1.295 . . . . 0.0 113.556 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.99 -36.14 62.02 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 124.471 1.109 . . . . 0.0 113.434 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.63 -42.87 97.12 Favored Glycine 0 C--O 1.211 -1.297 0 C-N-CA 126.164 1.84 . . . . 0.0 112.298 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.07 43.39 3.82 Favored Glycine 0 N--CA 1.438 -1.232 0 C-N-CA 125.522 1.534 . . . . 0.0 113.622 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.7 -25.82 68.11 Favored 'General case' 0 C--O 1.206 -1.221 0 C-N-CA 125.555 1.542 . . . . 0.0 114.956 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.107 0 O-C-N 119.556 -1.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.99 151.43 47.67 Favored 'General case' 0 N--CA 1.396 -3.155 0 C-N-CA 128.879 2.872 . . . . 0.0 114.625 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -67.62 -11.41 58.11 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.39 -18.6 0.41 Allowed 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 161.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.39 -86.98 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 125.899 1.679 . . . . 0.0 111.434 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.11 8.17 0.81 Allowed 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -171.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.64 -48.13 6.49 Favored 'General case' 0 C--O 1.207 -1.135 0 O-C-N 118.883 -2.386 . . . . 0.0 113.103 164.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.69 -37.15 15.76 Favored 'General case' 0 N--CA 1.445 -0.688 0 O-C-N 120.782 -1.199 . . . . 0.0 111.072 -175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mm -60.4 -42.38 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.775 0 C-N-CA 124.268 1.027 . . . . 0.0 111.126 175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -56.08 -49.38 73.96 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 123.338 0.655 . . . . 0.0 112.517 172.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.32 -0.06 4.4 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 115.906 1.817 . . . . 0.0 115.906 171.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.277 0.3 OUTLIER -106.83 -57.1 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 126.685 1.994 . . . . 0.0 112.98 164.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.14 72.16 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 123.395 2.816 . . . . 0.0 113.775 -172.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.27 -43.3 86.81 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 124.535 1.134 . . . . 0.0 111.89 171.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.728 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.8 mp -74.24 -32.76 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 C-N-CA 128.132 2.573 . . . . 0.0 110.249 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -52.56 -49.72 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 121.024 1.738 . . . . 0.0 110.163 170.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -72.67 -46.47 53.69 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.701 1.601 . . . . 0.0 112.28 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.59 -39.55 31.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 120.561 -1.337 . . . . 0.0 112.627 -174.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.11 -43.7 92.75 Favored Glycine 0 C--O 1.197 -2.213 0 C-N-CA 125.08 1.324 . . . . 0.0 111.947 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.84 51.53 2.82 Favored Glycine 0 C--O 1.208 -1.511 0 C-N-CA 125.905 1.717 . . . . 0.0 115.319 173.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -59.31 -29.18 67.43 Favored 'General case' 0 C--O 1.17 -3.126 0 O-C-N 120.31 -1.7 . . . . 0.0 114.554 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.788 0 CA-C-N 120.897 1.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.478 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.44 -20.85 61.29 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 115.929 1.825 . . . . 0.0 115.929 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.58 -9.61 6.32 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 126.348 1.859 . . . . 0.0 115.771 171.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -52.44 -11.05 0.17 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.581 1.952 . . . . 0.0 114.873 158.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.72 -79.44 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 127.678 2.391 . . . . 0.0 111.718 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.9 11.3 1.45 Allowed 'General case' 0 N--CA 1.432 -1.332 0 O-C-N 119.902 -1.749 . . . . 0.0 114.391 -170.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.85 -55.45 3.63 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 126.465 1.906 . . . . 0.0 111.626 158.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.29 -41.41 18.32 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.009 0.923 . . . . 0.0 111.283 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 46.3 mm -57.48 -41.1 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 C-N-CA 124.7 1.2 . . . . 0.0 111.959 171.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -62.94 -40.35 97.39 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.2 49.66 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.109 0.964 . . . . 0.0 112.467 163.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -41.42 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 118.748 -2.47 . . . . 0.0 112.02 -171.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.36 -21.8 66.24 Favored 'General case' 0 C--O 1.21 -1.012 0 O-C-N 119.942 -1.724 . . . . 0.0 113.0 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.55 -41.74 13.25 Favored 'General case' 0 N--CA 1.445 -0.722 0 O-C-N 120.849 -1.157 . . . . 0.0 112.963 173.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 52.8 mt -62.35 -32.73 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.807 1.643 . . . . 0.0 111.459 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 29.4 mt -61.78 -50.82 78.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 O-C-N 120.443 -1.41 . . . . 0.0 110.0 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -58.75 -40.29 83.41 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.063 1.745 . . . . 0.0 113.746 177.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.08 -38.11 61.38 Favored 'General case' 0 C--O 1.194 -1.821 0 C-N-CA 125.501 1.52 . . . . 0.0 114.015 178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.28 90.96 Favored Glycine 0 C--O 1.211 -1.318 0 C-N-CA 127.797 2.617 . . . . 0.0 113.483 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.38 32.27 20.07 Favored Glycine 0 C--O 1.2 -2.03 0 C-N-CA 125.557 1.551 . . . . 0.0 113.597 176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -54.02 -21.84 9.2 Favored 'General case' 0 C--O 1.176 -2.783 0 C-N-CA 130.197 3.399 . . . . 0.0 115.074 -170.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.278 -2.515 0 O-C-N 118.027 -2.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.443 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.12 -23.65 14.83 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.2 -8.66 2.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 174.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.54 -1.85 0.17 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.717 1.607 . . . . 0.0 114.657 165.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.29 1.67 13.07 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 119.281 3.067 . . . . 0.0 119.281 -167.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.36 -34.25 5.94 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 120.268 -1.52 . . . . 0.0 111.041 154.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.49 -11.14 30.74 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.638 1.975 . . . . 0.0 115.854 -175.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.53 -54.87 2.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 119.672 1.124 . . . . 0.0 112.542 152.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 mm -59.35 -33.05 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 C-N-CA 125.316 1.447 . . . . 0.0 113.832 -165.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -73.33 -35.95 66.11 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 112.06 -173.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.82 73.41 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-O 121.548 0.69 . . . . 0.0 111.798 161.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.86 -38.47 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 O-C-N 119.705 -1.872 . . . . 0.0 112.35 -166.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.91 -13.96 62.28 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 120.267 -1.521 . . . . 0.0 114.603 174.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.64 -38.92 11.09 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 126.935 2.094 . . . . 0.0 110.829 172.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.48 -36.69 76.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 C-N-CA 127.703 2.401 . . . . 0.0 110.03 172.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mt -59.75 -51.9 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 C-N-CA 124.288 1.035 . . . . 0.0 112.045 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -55.86 -41.76 74.84 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 124.901 1.281 . . . . 0.0 112.767 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.58 -31.8 60.11 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.545 1.938 . . . . 0.0 113.102 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.18 45.55 Favored Glycine 0 C--O 1.191 -2.542 0 C-N-CA 128.814 3.102 . . . . 0.0 111.78 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.56 14.65 31.78 Favored Glycine 0 N--CA 1.421 -2.307 0 N-CA-C 116.359 1.303 . . . . 0.0 116.359 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -50.1 119.74 3.87 Favored 'General case' 1 C--O 1.138 -4.776 0 C-N-CA 125.28 1.432 . . . . 0.0 111.741 175.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.242 -4.087 0 O-C-N 116.988 -3.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.165 -3.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.55 -54.07 42.64 Favored 'General case' 0 N--CA 1.394 -3.229 0 C-N-CA 127.64 2.376 . . . . 0.0 115.207 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -80.36 -34.7 36.27 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 120.587 -1.321 . . . . 0.0 114.166 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.16 -25.85 24.67 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.988 2.515 . . . . 0.0 113.709 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.286 . . -65.59 -82.34 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 125.923 1.689 . . . . 0.0 112.043 -165.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 10' ' ' LYS . . . -61.13 -14.05 21.79 Favored 'General case' 1 C--O 1.133 -5.052 0 N-CA-C 116.029 1.863 . . . . 0.0 116.029 178.513 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -20.9 61.03 Favored 'General case' 1 C--O 1.152 -4.07 0 O-C-N 118.327 -2.733 . . . . 0.0 113.295 169.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.3 -49.98 2.93 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 122.637 2.471 . . . . 0.0 112.015 171.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -65.79 -34.26 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 C-N-CA 125.098 1.359 . . . . 0.0 112.537 -174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 9.7 tmtt? -71.68 -35.14 70.19 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 118.832 0.742 . . . . 0.0 110.694 -176.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.14 -55.15 31.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.579 1.552 . . . . 0.0 111.508 161.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.3 tt -67.21 -40.51 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 O-C-N 120.787 -1.195 . . . . 0.0 110.718 -165.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.88 -17.25 64.8 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.81 -40.76 12.93 Favored 'General case' 0 C--O 1.203 -1.359 0 C-N-CA 124.402 1.081 . . . . 0.0 112.757 168.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' B' ' 30' ' ' ALA . 60.0 mt -67.16 -30.53 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 C-N-CA 127.285 2.234 . . . . 0.0 112.486 175.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 37.3 mt -56.91 -46.6 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.091 -2.256 . . . . 0.0 111.599 172.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -73.78 -41.68 62.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 C-N-CA 125.853 1.661 . . . . 0.0 112.99 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.33 -43.43 12.89 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 -173.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.0 -40.32 99.17 Favored Glycine 0 C--O 1.205 -1.709 0 C-N-CA 128.033 2.73 . . . . 0.0 110.361 166.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.1 53.33 2.54 Favored Glycine 0 C--O 1.187 -2.838 0 C-N-CA 126.818 2.152 . . . . 0.0 114.622 167.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 76.2 m-85 -59.82 144.54 48.28 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 118.809 1.305 . . . . 0.0 111.87 166.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 118.297 -2.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.723 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.1 -14.34 9.72 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 116.871 2.175 . . . . 0.0 116.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -65.0 -20.26 66.41 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 121.825 2.102 . . . . 0.0 112.94 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.34 -9.78 1.73 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 168.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.95 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 125.313 1.445 . . . . 0.0 112.924 -170.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.21 23.06 0.09 Allowed 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 124.955 1.302 . . . . 0.0 113.622 -170.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -113.59 -22.24 10.39 Favored 'General case' 0 C--O 1.208 -1.089 1 C-N-CA 131.752 4.021 . . . . 0.0 112.776 169.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.434 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -109.55 -55.57 2.41 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 125.203 1.401 . . . . 0.0 110.439 171.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 41.1 mm -48.41 -36.59 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 128.142 2.577 . . . . 0.0 111.181 178.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.628 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 17.8 ptmt -50.96 -61.49 2.19 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 174.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.628 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -67.71 11.53 0.13 Allowed 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 130.443 3.497 . . . . 0.0 114.11 170.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.5 mm -120.69 -53.3 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 116.851 -1.547 . . . . 0.0 109.776 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -27.58 68.47 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 123.597 2.908 . . . . 0.0 115.221 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.45 -41.82 68.96 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 125.2 1.4 . . . . 0.0 112.106 169.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.65 -35.12 59.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 128.056 2.542 . . . . 0.0 111.288 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 38.5 mt -54.37 -54.12 24.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.786 0 O-C-N 120.493 -1.379 . . . . 0.0 111.765 171.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -57.86 -42.73 85.13 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 124.177 0.991 . . . . 0.0 113.652 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.7 -35.27 62.73 Favored 'General case' 0 C--O 1.208 -1.115 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.26 -37.72 63.17 Favored Glycine 0 C--O 1.198 -2.148 0 C-N-CA 128.59 2.995 . . . . 0.0 114.37 178.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.27 39.09 9.36 Favored Glycine 0 C--O 1.198 -2.134 0 CA-C-N 119.585 1.693 . . . . 0.0 115.047 178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -61.97 -22.89 66.03 Favored 'General case' 0 C--O 1.181 -2.503 0 C-N-CA 126.328 1.851 . . . . 0.0 115.56 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.685 0 O-C-N 116.764 -3.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.208 -1.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -3.75 1.38 Allowed 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.716 1.607 . . . . 0.0 114.496 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.73 -29.19 64.55 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 120.76 1.618 . . . . 0.0 112.796 163.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.96 -5.46 9.5 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 126.917 2.087 . . . . 0.0 114.432 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . 0.299 . . -64.6 -87.86 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 126.115 1.766 . . . . 0.0 112.686 -164.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.91 -22.53 65.66 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.99 -4.33 16.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.32 1.848 . . . . 0.0 115.413 171.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.432 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -122.21 -57.59 1.76 Allowed 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 123.866 0.866 . . . . 0.0 111.222 162.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.56 -26.21 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 112.461 -167.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.62 -37.01 57.1 Favored 'General case' 0 N--CA 1.444 -0.756 0 O-C-N 120.243 -1.535 . . . . 0.0 111.696 -174.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.43 78.68 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 162.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 12.1 mm -69.31 -37.96 76.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 CA-C-O 118.175 -0.916 . . . . 0.0 108.674 -170.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -16.73 63.64 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 121.245 1.839 . . . . 0.0 115.661 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -92.27 -40.77 10.77 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 111.07 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 34.1 mt -58.2 -34.37 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 C-N-CA 128.563 2.745 . . . . 0.0 108.908 168.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -63.21 -51.2 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 CA-C-N 120.148 1.34 . . . . 0.0 111.504 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -59.12 -38.47 79.67 Favored 'General case' 0 C--O 1.21 -0.996 0 C-N-CA 126.907 2.083 . . . . 0.0 112.253 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.08 70.44 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 125.942 1.697 . . . . 0.0 113.432 173.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.55 -24.94 73.95 Favored Glycine 0 C--O 1.205 -1.676 0 C-N-CA 128.542 2.972 . . . . 0.0 115.02 -175.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.33 18.34 71.69 Favored Glycine 0 N--CA 1.434 -1.486 0 C-N-CA 125.437 1.494 . . . . 0.0 116.658 -176.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . 0.421 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 6.0 m-85 -51.74 -25.54 7.65 Favored 'General case' 0 C--O 1.179 -2.608 0 C-N-CA 127.714 2.406 . . . . 0.0 115.972 177.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.265 -3.065 0 O-C-N 118.371 -2.706 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.193 -1.921 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.84 -30.21 26.67 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 115.989 1.848 . . . . 0.0 115.989 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -78.92 -42.08 27.96 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 125.675 1.59 . . . . 0.0 113.833 176.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -44.71 -37.24 3.59 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 127.16 2.184 . . . . 0.0 111.295 162.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -81.43 5.51 17.4 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 126.317 1.847 . . . . 0.0 113.724 -174.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.58 -52.65 2.75 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 119.365 -2.084 . . . . 0.0 112.668 147.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.61 -36.47 56.45 Favored 'General case' 0 C--O 1.197 -1.659 0 C-N-CA 127.816 2.446 . . . . 0.0 115.073 -171.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.31 -45.21 10.22 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-O 123.018 1.39 . . . . 0.0 111.636 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 37.6 mm -55.46 -45.22 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 C-N-CA 124.96 1.304 . . . . 0.0 113.88 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -62.89 -37.61 87.6 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.527 1.531 . . . . 0.0 113.905 -176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.97 -55.25 27.42 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 123.806 0.691 . . . . 0.0 110.139 163.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.42 -42.9 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 O-C-N 119.831 -1.793 . . . . 0.0 112.727 -167.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.35 -14.1 62.75 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.7 -38.63 11.72 Favored 'General case' 0 N--CA 1.443 -0.794 0 C-N-CA 125.571 1.549 . . . . 0.0 112.17 171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . 0.432 HG21 ' HB2' ' C' ' 52' ' ' ALA . 66.1 mt -68.2 -32.51 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 126.419 1.888 . . . . 0.0 109.818 174.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -57.71 -50.16 78.41 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 CA-C-N 120.526 1.512 . . . . 0.0 111.9 172.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -67.15 -34.58 77.88 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 127.246 2.218 . . . . 0.0 114.535 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.68 -41.55 26.61 Favored 'General case' 0 C--O 1.195 -1.804 0 C-N-CA 125.94 1.696 . . . . 0.0 113.773 173.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.78 -34.18 88.03 Favored Glycine 0 C--O 1.21 -1.35 0 C-N-CA 127.166 2.317 . . . . 0.0 113.958 175.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.63 39.84 39.84 Favored Glycine 0 C--O 1.203 -1.788 0 C-N-CA 127.104 2.287 . . . . 0.0 113.052 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -47.52 -35.04 8.29 Favored 'General case' 0 C--O 1.193 -1.91 0 C-N-CA 128.415 2.686 . . . . 0.0 115.761 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.276 -2.615 0 O-C-N 117.767 -3.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.221 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.14 24.95 5.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 127.16 2.184 . . . . 0.0 114.101 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -57.62 -32.16 66.97 Favored 'General case' 0 C--O 1.206 -1.21 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.29 -18.3 6.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 124.775 1.23 . . . . 0.0 113.472 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.89 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.958 0 C-N-CA 124.703 1.201 . . . . 0.0 111.153 -172.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.98 9.68 0.37 Allowed 'General case' 0 N--CA 1.438 -1.062 0 O-C-N 120.182 -1.574 . . . . 0.0 114.85 -174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.76 -58.0 2.98 Favored 'General case' 0 C--O 1.207 -1.136 0 O-C-N 120.631 -1.293 . . . . 0.0 112.204 156.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.42 -41.74 14.2 Favored 'General case' 0 C--N 1.315 -0.901 0 O-C-N 119.341 -2.1 . . . . 0.0 110.772 -168.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 44.6 mm -55.52 -44.16 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 125.408 1.483 . . . . 0.0 111.951 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -61.86 -40.51 95.6 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.32 -48.39 78.22 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 123.102 0.561 . . . . 0.0 111.698 166.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.42 HD12 HG13 ' B' ' 34' ' ' ILE 0.292 0.4 OUTLIER -64.09 -44.04 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 O-C-N 119.647 -1.908 . . . . 0.0 110.239 -174.031 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.09 -20.33 65.87 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 119.236 -2.165 . . . . 0.0 114.034 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.53 -40.74 17.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 124.649 1.18 . . . . 0.0 113.01 170.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.25 -32.62 59.03 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 125.44 1.496 . . . . 0.0 112.195 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.1 mt -60.27 -54.76 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 C-N-CA 125.766 1.626 . . . . 0.0 111.989 171.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -54.59 -39.72 68.13 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 127.361 2.264 . . . . 0.0 113.243 174.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.13 -25.01 32.33 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 176.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -82.04 -25.43 52.27 Favored Glycine 0 C--O 1.196 -2.223 0 C-N-CA 129.116 3.246 . . . . 0.0 116.305 -173.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.04 53.42 Favored Glycine 0 N--CA 1.43 -1.733 0 CA-C-N 118.745 1.272 . . . . 0.0 114.434 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -53.58 -42.48 67.64 Favored 'General case' 0 C--O 1.181 -2.511 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.003 0 O-C-N 119.753 -1.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.195 -1.803 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 55.86 -4.16 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.524 0 C-N-CA 129.461 3.104 . . . . 0.0 118.669 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -70.46 -12.05 61.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 121.301 1.864 . . . . 0.0 114.691 173.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.59 -4.99 0.48 Allowed 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 127.753 2.421 . . . . 0.0 113.683 168.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.29 -84.45 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 127.87 2.468 . . . . 0.0 113.696 -172.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.98 13.31 0.89 Allowed 'General case' 0 C--O 1.213 -0.842 0 O-C-N 120.838 -1.164 . . . . 0.0 112.083 -174.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.85 -1.74 33.95 Favored 'General case' 0 C--O 1.211 -0.968 0 O-C-N 119.446 -2.034 . . . . 0.0 113.966 164.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.4 -43.06 1.04 Allowed 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 164.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -31.15 52.42 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 120.709 -1.244 . . . . 0.0 111.391 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -71.09 -38.7 72.41 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 119.911 1.232 . . . . 0.0 111.817 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.14 -46.85 79.22 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 123.127 0.571 . . . . 0.0 111.712 165.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.42 HG13 HD12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -66.52 -45.2 89.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-O 117.69 -1.148 . . . . 0.0 111.072 -172.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . 0.251 . . -69.91 -1.75 10.44 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 121.33 1.877 . . . . 0.0 114.905 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -100.38 -41.14 7.15 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 127.367 2.267 . . . . 0.0 112.627 165.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mt -63.6 -26.46 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 126.728 2.011 . . . . 0.0 112.107 171.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CD1' ' B' ' 43' ' ' TYR . 4.6 mm -53.26 -64.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 126.314 1.846 . . . . 0.0 110.062 165.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -60.41 -42.31 95.69 Favored 'General case' 0 C--O 1.204 -1.307 0 C-N-CA 126.918 2.087 . . . . 0.0 113.53 -177.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -83.51 -32.33 25.97 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 125.689 1.596 . . . . 0.0 113.066 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.96 -30.16 76.48 Favored Glycine 0 C--O 1.202 -1.879 0 C-N-CA 127.345 2.402 . . . . 0.0 112.729 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.08 47.75 22.79 Favored Glycine 0 C--O 1.202 -1.883 0 CA-C-N 119.502 1.651 . . . . 0.0 112.227 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.445 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 2.0 m-85 -53.69 -33.9 56.97 Favored 'General case' 1 C--O 1.148 -4.247 0 C-N-CA 127.15 2.18 . . . . 0.0 116.727 -174.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.268 -2.938 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.623 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.85 -27.97 46.32 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 126.979 2.111 . . . . 0.0 115.113 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -59.53 -12.5 6.54 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.884 1.673 . . . . 0.0 114.89 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.89 -9.13 0.21 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 125.688 1.595 . . . . 0.0 115.128 162.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.03 -87.35 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.428 3.091 . . . . 0.0 112.478 -173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.61 -30.12 68.47 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.32 -13.27 17.99 Favored 'General case' 0 C--O 1.19 -2.069 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.741 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -109.19 -61.14 1.67 Allowed 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 126.163 1.785 . . . . 0.0 110.574 157.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 35.4 mm -60.8 -27.62 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 114.183 -163.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -41.03 61.68 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.368 -178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.13 94.82 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.879 0.872 . . . . 0.0 111.968 162.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 16.1 mm -77.87 -37.09 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-O 117.707 -1.14 . . . . 0.0 110.37 -164.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.92 -22.12 66.78 Favored 'General case' 0 C--O 1.21 -0.995 0 CA-C-N 121.146 1.794 . . . . 0.0 113.057 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.39 -40.2 18.11 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 126.307 1.843 . . . . 0.0 112.607 175.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.41 -32.16 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 C-N-CA 125.291 1.437 . . . . 0.0 111.992 171.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.23 -51.09 69.47 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.752 0 C-N-CA 124.971 1.308 . . . . 0.0 111.198 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -55.89 -40.81 73.52 Favored 'General case' 0 C--O 1.203 -1.358 0 C-N-CA 125.666 1.586 . . . . 0.0 112.274 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.32 -30.26 63.25 Favored 'General case' 0 C--O 1.21 -0.978 0 C-N-CA 124.566 1.147 . . . . 0.0 112.73 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.13 72.14 Favored Glycine 0 C--O 1.17 -3.894 0 C-N-CA 128.984 3.183 . . . . 0.0 116.503 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.54 22.63 69.53 Favored Glycine 0 C--N 1.301 -1.368 0 CA-C-N 121.668 2.734 . . . . 0.0 116.238 -178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -53.31 -31.54 44.59 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 128.082 2.553 . . . . 0.0 115.627 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.029 0 O-C-N 119.463 -2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.43 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.78 28.95 0.89 Allowed 'General case' 0 C--O 1.2 -1.549 0 C-N-CA 129.184 2.994 . . . . 0.0 115.889 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -67.4 -23.86 65.61 Favored 'General case' 0 N--CA 1.44 -0.975 0 O-C-N 118.769 -2.457 . . . . 0.0 112.461 173.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.16 -3.84 0.16 Allowed 'General case' 0 N--CA 1.441 -0.896 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.45 9.92 12.14 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 116.995 2.22 . . . . 0.0 116.995 -163.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.1 -51.94 2.8 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 118.061 0.392 . . . . 0.0 111.223 158.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.19 94.53 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.326 1.451 . . . . 0.0 114.771 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.44 -41.22 56.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.68 0.752 . . . . 0.0 110.668 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 mm -64.59 -39.97 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 C-N-CA 124.894 1.278 . . . . 0.0 111.997 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -63.18 -39.45 94.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 C-N-CA 126.402 1.881 . . . . 0.0 112.736 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.37 -56.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.93 0.892 . . . . 0.0 110.285 163.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -43.43 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 O-C-N 120.668 -1.27 . . . . 0.0 112.747 -167.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.4 -25.38 68.0 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 121.619 2.009 . . . . 0.0 113.761 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.24 -42.57 30.79 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 120.364 -1.46 . . . . 0.0 112.55 171.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . 0.741 HG21 ' HB2' ' C' ' 52' ' ' ALA . 59.8 mt -66.93 -36.29 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 C-N-CA 127.09 2.156 . . . . 0.0 111.088 178.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 49.9 mt -52.5 -50.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 O-C-N 120.891 -1.131 . . . . 0.0 111.347 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -70.3 -40.89 73.96 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.936 1.694 . . . . 0.0 113.46 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.19 -44.65 59.45 Favored 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.407 1.483 . . . . 0.0 112.215 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.05 -34.54 64.81 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 128.527 2.965 . . . . 0.0 113.83 175.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.84 43.28 10.14 Favored Glycine 0 C--O 1.193 -2.435 0 C-N-CA 125.153 1.358 . . . . 0.0 114.101 171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -51.96 -34.63 43.04 Favored 'General case' 0 C--O 1.179 -2.607 0 C-N-CA 126.067 1.747 . . . . 0.0 115.034 -175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.272 -2.791 0 O-C-N 118.901 -2.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.876 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.15 -16.28 1.96 Allowed 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.798 2.147 . . . . 0.0 116.798 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.1 -8.22 3.25 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 127.546 2.339 . . . . 0.0 115.599 171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -5.23 0.21 Allowed 'General case' 0 N--CA 1.441 -0.919 0 O-C-N 120.439 -1.413 . . . . 0.0 114.588 159.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.35 -84.12 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.154 2.181 . . . . 0.0 112.573 -173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.59 -26.55 68.74 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 119.48 1.037 . . . . 0.0 113.767 -169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.48 -23.11 65.66 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 120.416 -1.428 . . . . 0.0 114.531 173.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.3 -63.16 1.2 Allowed 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 123.789 0.835 . . . . 0.0 112.178 165.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.0 mm -58.36 -30.44 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 127.979 2.512 . . . . 0.0 113.758 -169.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -75.27 -37.55 60.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 114.125 1.158 . . . . 0.0 114.125 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.85 80.75 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 160.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.73 -37.36 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 O-C-N 120.771 -1.206 . . . . 0.0 111.587 -167.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -15.92 63.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 172.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.44 -30.64 12.43 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 125.178 1.391 . . . . 0.0 111.795 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -66.35 -36.94 78.58 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.788 0 C-N-CA 128.188 2.595 . . . . 0.0 109.251 168.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 21' ' ' TYR . 7.2 mt -55.14 -53.92 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 120.041 1.292 . . . . 0.0 111.913 172.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -58.95 -35.97 74.03 Favored 'General case' 0 C--O 1.18 -2.556 0 C-N-CA 127.555 2.342 . . . . 0.0 113.768 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.95 -37.1 40.48 Favored 'General case' 0 C--O 1.206 -1.196 0 C-N-CA 125.645 1.578 . . . . 0.0 114.957 173.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.68 -29.98 75.59 Favored Glycine 0 C--O 1.183 -3.091 0 C-N-CA 128.445 2.926 . . . . 0.0 112.722 -175.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.14 25.79 36.01 Favored Glycine 0 C--O 1.196 -2.25 0 CA-C-N 119.684 1.742 . . . . 0.0 117.402 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 16' ' ' ILE . 9.7 m-85 -59.28 -21.39 59.57 Favored 'General case' 0 C--O 1.166 -3.32 0 C-N-CA 127.19 2.196 . . . . 0.0 115.111 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.246 -3.922 0 O-C-N 120.283 -1.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -1.952 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.73 152.56 24.64 Favored 'General case' 0 C--N 1.249 -3.781 0 C-N-CA 128.705 2.802 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -65.39 -22.05 66.75 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.274 1.43 . . . . 0.0 113.666 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.77 -8.64 0.98 Allowed 'General case' 0 N--CA 1.427 -1.578 0 C-N-CA 125.201 1.401 . . . . 0.0 113.66 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.85 -85.16 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.656 1.982 . . . . 0.0 111.475 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.07 10.91 1.03 Allowed 'General case' 0 N--CA 1.439 -1.023 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -169.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.15 -59.42 2.26 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 127.498 2.319 . . . . 0.0 110.723 162.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.92 -35.32 24.15 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 111.216 -170.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 48.0 mm -63.06 -39.18 84.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 C-N-CA 124.397 1.079 . . . . 0.0 110.829 173.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mmtt -61.01 -45.43 94.84 Favored 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 120.937 -1.102 . . . . 0.0 112.068 172.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.45 13.39 0.09 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.914 2.085 . . . . 0.0 116.206 167.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mm -122.03 -60.22 2.28 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 129.016 2.926 . . . . 0.0 108.99 169.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.14 67.68 Favored 'General case' 0 N--CA 1.443 -0.815 0 O-C-N 118.323 -2.736 . . . . 0.0 115.147 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.79 -36.62 19.98 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 125.317 1.447 . . . . 0.0 113.669 172.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.36 -36.18 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 127.301 2.241 . . . . 0.0 111.602 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.37 -49.01 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 120.425 -1.422 . . . . 0.0 110.743 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -53.41 -44.59 68.86 Favored 'General case' 0 C--O 1.21 -0.992 0 C-N-CA 124.089 0.955 . . . . 0.0 112.124 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.63 -31.04 29.02 Favored 'General case' 0 C--O 1.201 -1.5 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.78 -35.5 58.58 Favored Glycine 0 N--CA 1.432 -1.576 0 C-N-CA 128.292 2.853 . . . . 0.0 113.771 -177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 71.65 41.13 57.68 Favored Glycine 0 N--CA 1.437 -1.235 0 C-N-CA 123.68 0.657 . . . . 0.0 112.761 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.42 -27.4 62.37 Favored 'General case' 0 C--O 1.173 -2.932 0 C-N-CA 126.981 2.113 . . . . 0.0 115.732 -173.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.266 -3.056 0 O-C-N 118.184 -2.822 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.176 -2.794 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.61 -44.52 5.81 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 126.12 1.768 . . . . 0.0 114.193 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -149.37 -60.26 0.22 Allowed 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.67 66.02 Favored 'General case' 0 N--CA 1.437 -1.113 0 C-N-CA 125.08 1.352 . . . . 0.0 110.696 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -83.82 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.249 1.42 . . . . 0.0 111.38 -173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.43 6.52 1.02 Allowed 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.4 -55.14 3.78 Favored 'General case' 0 C--O 1.2 -1.513 0 C-N-CA 127.849 2.46 . . . . 0.0 110.598 164.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.5 -35.94 24.48 Favored 'General case' 0 C--O 1.206 -1.217 0 O-C-N 120.824 -1.172 . . . . 0.0 112.472 -171.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.2 -37.46 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 C-N-CA 123.795 0.838 . . . . 0.0 112.504 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -65.08 -38.08 89.6 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 125.517 1.527 . . . . 0.0 110.765 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.41 63.86 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 123.748 0.819 . . . . 0.0 111.265 165.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.1 tt -65.4 -42.41 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 O-C-N 120.713 -1.242 . . . . 0.0 111.978 -171.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.96 -25.42 67.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.381 -178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.34 -45.54 14.77 Favored 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.737 2.015 . . . . 0.0 112.873 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 60.9 mt -60.54 -34.15 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 125.913 1.685 . . . . 0.0 112.096 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.09 -51.17 75.72 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 124.414 1.086 . . . . 0.0 111.291 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -61.07 -45.2 95.7 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 126.283 1.833 . . . . 0.0 113.795 174.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.34 77.89 Favored 'General case' 0 C--O 1.211 -0.971 0 C-N-CA 123.665 0.786 . . . . 0.0 112.772 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.45 -32.82 59.35 Favored Glycine 0 C--O 1.205 -1.702 0 C-N-CA 127.332 2.396 . . . . 0.0 112.79 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.36 25.28 26.51 Favored Glycine 0 C--O 1.22 -0.78 0 O-C-N 119.4 -2.236 . . . . 0.0 115.115 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.73 -29.59 69.47 Favored 'General case' 0 C--O 1.174 -2.875 0 C-N-CA 125.79 1.636 . . . . 0.0 114.824 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.402 0 O-C-N 119.371 -2.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.828 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.6 -41.56 66.75 Favored 'General case' 0 C--O 1.184 -2.392 0 C-N-CA 126.964 2.106 . . . . 0.0 116.347 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -108.19 -24.71 11.41 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 127.305 2.242 . . . . 0.0 114.035 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.72 -34.98 1.01 Allowed 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 126.231 1.812 . . . . 0.0 111.334 164.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.12 -1.41 40.08 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -174.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.59 -55.65 2.36 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 120.297 -1.502 . . . . 0.0 112.111 150.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.28 -37.75 62.46 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 128.09 2.556 . . . . 0.0 114.705 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.15 -45.83 17.46 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.26 1.028 . . . . 0.0 109.909 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 36.3 mm -61.7 -39.08 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 C-N-CA 125.844 1.658 . . . . 0.0 112.339 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -71.11 -36.43 72.16 Favored 'General case' 0 C--O 1.212 -0.902 0 C-N-CA 126.466 1.906 . . . . 0.0 113.248 -173.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.23 53.83 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 124.038 0.935 . . . . 0.0 111.426 160.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 14.3 mm -70.96 -41.12 76.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 O-C-N 121.439 -0.788 . . . . 0.0 112.159 -165.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.19 69.05 Favored 'General case' 0 C--O 1.215 -0.745 0 O-C-N 119.712 -1.868 . . . . 0.0 114.415 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.46 -42.91 34.15 Favored 'General case' 0 C--O 1.213 -0.821 0 O-C-N 120.877 -1.139 . . . . 0.0 112.022 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.69 -36.5 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.162 2.585 . . . . 0.0 110.978 177.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 20.1 mt -55.24 -53.39 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.533 1.533 . . . . 0.0 110.973 173.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -61.85 -40.85 96.79 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 127.05 2.14 . . . . 0.0 112.271 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.55 -36.54 32.91 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 123.634 0.774 . . . . 0.0 111.212 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.33 -39.4 97.18 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 127.963 2.697 . . . . 0.0 114.535 171.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.24 9.23 Favored Glycine 0 C--O 1.202 -1.901 0 CA-C-O 118.774 -1.015 . . . . 0.0 115.382 -174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -56.21 120.37 7.45 Favored 'General case' 0 C--O 1.177 -2.758 0 CA-C-O 122.876 1.322 . . . . 0.0 110.916 170.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.474 0 O-C-N 118.831 -2.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.25 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.21 -6.62 24.5 Favored 'General case' 0 C--O 1.178 -2.71 0 C-N-CA 127.016 2.127 . . . . 0.0 115.959 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -50.03 -40.81 45.98 Favored 'General case' 0 N--CA 1.429 -1.511 0 O-C-N 119.604 -1.935 . . . . 0.0 114.668 164.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.27 -12.75 22.36 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.615 2.766 . . . . 0.0 114.512 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.341 . . -66.11 -83.67 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -161.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.97 -27.78 54.11 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.06 -17.12 63.08 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.794 ' HB2' HG21 ' B' ' 37' ' ' ILE . . . -105.55 -64.85 1.1 Allowed 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 120.6 -1.312 . . . . 0.0 111.093 154.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.9 mm -59.21 -31.96 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 C-N-CA 124.474 1.11 . . . . 0.0 113.597 -162.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -73.98 -36.82 64.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 120.298 1.408 . . . . 0.0 113.439 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.86 -43.86 67.59 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.304 0.642 . . . . 0.0 111.088 164.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.2 mm -72.82 -38.95 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 O-C-N 119.559 -1.963 . . . . 0.0 110.86 -167.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.28 66.69 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.88 -42.34 13.29 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 111.918 173.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.9 mt -58.12 -39.66 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 C-N-CA 126.587 1.955 . . . . 0.0 110.882 171.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.6 -52.51 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 C-N-CA 125.041 1.336 . . . . 0.0 113.033 171.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 3.7 tppt? -60.5 -36.54 78.59 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 123.716 0.806 . . . . 0.0 112.109 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -24.96 43.45 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 171.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.98 -34.01 59.16 Favored Glycine 0 C--O 1.207 -1.558 0 C-N-CA 128.014 2.721 . . . . 0.0 113.38 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.57 13.74 62.65 Favored Glycine 0 N--CA 1.435 -1.425 0 CA-C-N 118.597 1.199 . . . . 0.0 115.444 -175.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -54.17 -33.35 57.84 Favored 'General case' 0 C--O 1.203 -1.393 0 C-N-CA 126.513 1.925 . . . . 0.0 113.22 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.449 0 O-C-N 119.064 -2.272 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.09 -12.68 8.92 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.54 -8.88 10.75 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.014 -1.679 . . . . 0.0 114.944 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.03 -4.7 0.35 Allowed 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 161.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.88 -80.95 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.09 0.79 4.2 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -165.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.95 -52.11 5.65 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 118.35 -2.719 . . . . 0.0 112.225 164.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.07 -39.02 21.73 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-O 121.252 0.548 . . . . 0.0 111.429 -172.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -59.96 -37.37 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 127.339 2.256 . . . . 0.0 110.984 173.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -63.82 -45.65 88.64 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 123.884 0.874 . . . . 0.0 111.118 174.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.11 5.01 1.02 Allowed 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 126.873 2.069 . . . . 0.0 115.889 165.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.03 -56.23 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 125.728 1.611 . . . . 0.0 112.238 167.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.58 -26.68 68.72 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 121.943 2.156 . . . . 0.0 113.559 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.67 -40.77 63.44 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.163 1.385 . . . . 0.0 114.173 168.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.794 HG21 ' HB2' ' A' ' 8' ' ' ALA . 1.7 mp -72.6 -33.0 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 C-N-CA 126.986 2.114 . . . . 0.0 110.65 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.11 -52.75 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 O-C-N 120.09 -1.631 . . . . 0.0 110.617 168.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -65.03 -42.23 94.52 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.589 1.556 . . . . 0.0 114.222 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.29 -36.19 54.44 Favored 'General case' 0 N--CA 1.439 -1.014 0 C-N-CA 125.933 1.693 . . . . 0.0 113.823 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.6 -33.96 33.02 Favored Glycine 0 N--CA 1.434 -1.468 0 C-N-CA 127.111 2.291 . . . . 0.0 111.309 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.77 50.32 6.55 Favored Glycine 0 N--CA 1.434 -1.459 0 CA-C-N 119.422 1.611 . . . . 0.0 116.015 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.456 ' CD2' HG21 ' C' ' 53' ' ' ILE . 8.0 m-85 -56.39 -19.4 14.7 Favored 'General case' 0 C--O 1.184 -2.36 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.235 0 O-C-N 119.277 -2.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.11 -3.32 1.22 Allowed 'General case' 1 N--CA 1.363 -4.818 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.23 -12.96 6.16 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.888 1.675 . . . . 0.0 114.429 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.87 -1.48 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 116.53 2.048 . . . . 0.0 116.53 162.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.96 -93.54 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.068 2.947 . . . . 0.0 111.721 -171.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.35 -30.71 60.83 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.06 52.24 Favored 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 175.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.413 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -106.23 -61.61 1.49 Allowed 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 120.85 -1.156 . . . . 0.0 109.506 165.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' B' ' 43' ' ' TYR . 32.1 mm -61.49 -30.83 48.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 C-N-CA 125.405 1.482 . . . . 0.0 113.215 -165.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -36.37 69.35 Favored 'General case' 0 N--CA 1.446 -0.664 0 O-C-N 120.425 -1.422 . . . . 0.0 110.884 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.98 82.08 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.389 1.076 . . . . 0.0 113.567 162.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.63 -34.74 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 CA-C-O 117.517 -1.23 . . . . 0.0 110.098 -169.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -20.79 66.21 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 121.72 2.054 . . . . 0.0 114.281 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.97 -36.38 17.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.358 1.463 . . . . 0.0 113.547 172.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 36.6 mt -62.85 -33.81 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.592 1.957 . . . . 0.0 111.169 169.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 8.9 mt -60.25 -46.02 95.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 O-C-N 120.113 -1.617 . . . . 0.0 112.574 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -60.23 -39.59 87.25 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 126.499 1.92 . . . . 0.0 114.169 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.01 -42.56 57.2 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 125.111 1.364 . . . . 0.0 112.628 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.52 -34.67 76.74 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 126.663 2.078 . . . . 0.0 115.807 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.56 32.97 17.64 Favored Glycine 0 C--O 1.215 -1.085 0 C-N-CA 125.144 1.355 . . . . 0.0 114.923 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . 0.419 ' CE2' ' HB1' ' D' ' 70' ' ' ALA . 4.9 m-85 -63.12 -16.51 60.25 Favored 'General case' 0 C--O 1.175 -2.84 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 -173.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.281 -2.403 0 O-C-N 117.802 -3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.02 -42.77 69.1 Favored 'General case' 0 N--CA 1.425 -1.713 0 C-N-CA 124.71 1.204 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -77.86 -36.18 50.16 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.932 0.893 . . . . 0.0 112.503 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' CE2' ' C' ' 65' ' ' TYR . . . -46.04 -35.41 4.82 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 126.2 1.8 . . . . 0.0 112.454 166.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.64 3.46 32.76 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 126.149 1.78 . . . . 0.0 114.468 -171.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.24 -56.41 2.25 Favored 'General case' 0 N--CA 1.438 -1.039 0 O-C-N 120.77 -1.206 . . . . 0.0 111.476 152.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.47 -39.18 72.76 Favored 'General case' 0 C--O 1.196 -1.723 0 C-N-CA 126.301 1.84 . . . . 0.0 113.392 -168.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.75 -39.68 21.55 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 119.762 1.164 . . . . 0.0 111.034 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 42.7 mm -62.08 -43.7 98.06 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 124.121 0.968 . . . . 0.0 111.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -66.33 -37.27 84.96 Favored 'General case' 0 C--O 1.214 -0.784 0 C-N-CA 124.496 1.119 . . . . 0.0 112.604 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.93 -60.15 4.0 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 123.85 0.719 . . . . 0.0 111.397 161.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.256 0.4 OUTLIER -68.49 -41.75 83.37 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 O-C-N 118.875 -2.391 . . . . 0.0 111.74 -166.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -19.43 65.39 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 120.96 1.709 . . . . 0.0 114.035 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.99 -45.5 15.25 Favored 'General case' 0 C--O 1.212 -0.9 0 C-N-CA 126.073 1.749 . . . . 0.0 112.459 169.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . 0.413 HG21 ' HB2' ' C' ' 52' ' ' ALA . 53.7 mt -66.12 -26.69 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 126.27 1.828 . . . . 0.0 111.698 176.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 39.0 mt -61.04 -50.12 81.88 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 120.149 -1.595 . . . . 0.0 111.703 171.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -69.99 -42.01 73.64 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 124.289 1.035 . . . . 0.0 113.008 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.13 -36.91 69.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-O 123.19 1.472 . . . . 0.0 114.048 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.78 -39.45 65.74 Favored Glycine 0 C--O 1.204 -1.739 0 C-N-CA 129.171 3.272 . . . . 0.0 111.003 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.58 50.81 7.74 Favored Glycine 0 N--CA 1.438 -1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 115.472 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . 0.403 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 8.7 m-85 -57.88 -26.89 62.72 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -178.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.986 0 O-C-N 120.669 -1.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.173 -2.947 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.331 . . 60.14 -125.31 1.09 Allowed 'General case' 0 N--CA 1.399 -2.993 1 C-N-CA 133.128 4.571 . . . . 0.0 115.712 . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -48.76 -51.74 27.47 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 128.337 2.655 . . . . 0.0 113.232 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' B' ' 41' ' ' GLY . . . -51.29 -28.57 12.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.053 1.741 . . . . 0.0 113.384 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.07 8.69 25.51 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 116.578 2.066 . . . . 0.0 116.578 -160.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -113.15 -58.26 2.18 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 124.576 1.15 . . . . 0.0 111.238 149.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.72 -43.46 47.72 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 127.507 2.323 . . . . 0.0 113.163 -171.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.13 -40.71 19.43 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 121.33 -0.856 . . . . 0.0 112.394 -178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.7 mm -59.22 -42.35 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 123.872 0.869 . . . . 0.0 112.163 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -58.83 -55.02 40.56 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.875 2.07 . . . . 0.0 109.348 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.0 11.73 0.14 Allowed 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 170.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.7 mt -114.16 -64.56 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 127.644 2.378 . . . . 0.0 109.755 161.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.96 -27.24 69.0 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 123.533 2.879 . . . . 0.0 113.027 -171.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.79 -39.31 57.18 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 124.122 0.969 . . . . 0.0 111.876 171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.508 HG21 ' HB1' ' B' ' 30' ' ' ALA . 1.2 mp -63.66 -39.93 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 127.157 2.183 . . . . 0.0 112.793 173.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.61 -45.98 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 123.959 0.904 . . . . 0.0 109.3 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -47.79 82.85 Favored 'General case' 0 C--O 1.208 -1.117 0 C-N-CA 125.539 1.535 . . . . 0.0 112.5 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.17 -43.99 17.0 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 124.039 0.936 . . . . 0.0 112.212 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.1 -33.35 83.1 Favored Glycine 0 C--O 1.208 -1.479 0 C-N-CA 127.703 2.573 . . . . 0.0 113.841 173.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.4 55.23 7.85 Favored Glycine 0 C--O 1.208 -1.531 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.242 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -54.94 -25.49 29.84 Favored 'General case' 0 C--O 1.183 -2.405 0 N-CA-C 116.381 1.993 . . . . 0.0 116.381 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.213 0 O-C-N 119.6 -1.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.202 -1.434 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.29 -31.29 5.76 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 127.548 2.339 . . . . 0.0 116.258 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -65.81 -6.2 11.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 O-C-N 120.042 -1.661 . . . . 0.0 114.861 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.87 0.98 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 158.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.56 -81.29 0.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.463 1.505 . . . . 0.0 114.239 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.07 9.18 2.09 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 116.51 2.041 . . . . 0.0 116.51 -162.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.75 -52.93 5.7 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 126.001 1.72 . . . . 0.0 109.083 158.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 15' ' ' ILE . . . -80.55 -49.73 10.94 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.857 1.263 . . . . 0.0 109.826 -166.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 20.7 mm -59.2 -36.92 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 C-N-CA 128.322 2.649 . . . . 0.0 111.755 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -61.81 -51.43 68.3 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.954 0.901 . . . . 0.0 110.372 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.5 17.27 0.09 Allowed 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 126.471 1.908 . . . . 0.0 115.149 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 15.7 mm -127.15 -51.41 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 C-N-CA 126.432 1.893 . . . . 0.0 112.308 173.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.35 -27.04 68.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 122.153 2.251 . . . . 0.0 115.537 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.21 -44.94 51.23 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 125.359 1.463 . . . . 0.0 112.321 169.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.41 -34.63 65.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 C-N-CA 127.507 2.323 . . . . 0.0 112.859 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 10.8 mt -55.28 -49.94 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 125.291 1.437 . . . . 0.0 111.054 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -70.03 -40.37 75.23 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 127.351 2.26 . . . . 0.0 113.004 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.13 -30.16 60.72 Favored 'General case' 0 C--O 1.209 -1.056 0 C-N-CA 126.085 1.754 . . . . 0.0 113.834 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' ' 4' ' ' ALA . . . -80.04 -25.02 58.62 Favored Glycine 0 C--O 1.208 -1.475 0 C-N-CA 127.587 2.518 . . . . 0.0 113.796 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.05 38.46 11.24 Favored Glycine 0 C--O 1.195 -2.3 0 C-N-CA 124.755 1.169 . . . . 0.0 115.92 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . 0.513 ' CE2' ' HB1' ' A' ' 4' ' ' ALA . 11.0 m-85 -61.03 18.7 0.01 OUTLIER 'General case' 1 C--O 0.645 -30.745 1 CA-C-O 134.435 6.826 . . . . 0.0 114.998 171.738 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 0.973 -15.783 2 O-C-N 79.358 -27.089 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -1.969 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.45 6.26 0.54 Allowed 'General case' 0 N--CA 1.416 -2.149 0 C-N-CA 127.912 2.485 . . . . 0.0 115.677 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -66.53 -16.96 64.54 Favored 'General case' 0 N--CA 1.441 -0.916 0 O-C-N 119.736 -1.852 . . . . 0.0 113.92 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.72 -4.61 0.05 OUTLIER 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 126.748 2.019 . . . . 0.0 114.664 167.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -93.18 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 127.559 2.344 . . . . 0.0 112.059 -169.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.18 -26.91 63.35 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 121.274 1.852 . . . . 0.0 114.791 -176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.96 -24.34 62.49 Favored 'General case' 0 N--CA 1.442 -0.835 0 O-C-N 119.778 -1.826 . . . . 0.0 114.492 172.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' D' ' 81' ' ' ILE . . . -97.85 -62.06 1.3 Allowed 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.696 1.236 . . . . 0.0 110.767 162.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 39.2 mm -64.06 -25.68 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 C-N-CA 124.799 1.24 . . . . 0.0 112.215 -161.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.26 -36.19 54.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 119.761 1.164 . . . . 0.0 110.86 -175.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.75 73.33 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 161.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -67.11 -39.41 83.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 O-C-N 120.182 -1.574 . . . . 0.0 110.738 -171.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.14 -21.94 66.85 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.65 -37.02 17.12 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 32.1 mt -60.08 -35.94 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 126.182 1.793 . . . . 0.0 110.578 167.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 11.1 mt -58.69 -54.72 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 O-C-N 120.336 -1.477 . . . . 0.0 112.822 170.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -40.3 71.97 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 125.106 1.362 . . . . 0.0 111.846 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.73 -22.4 40.3 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 125.299 1.439 . . . . 0.0 112.713 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.32 -29.97 69.72 Favored Glycine 0 C--O 1.174 -3.642 0 C-N-CA 128.073 2.749 . . . . 0.0 114.258 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.84 16.31 58.31 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 119.652 1.726 . . . . 0.0 115.783 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -23.7 66.25 Favored 'General case' 0 N--CA 1.434 -1.263 0 C-N-CA 126.969 2.108 . . . . 0.0 115.418 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.052 0 CA-C-N 120.177 1.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.581 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.48 17.26 0.52 Allowed 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -69.49 -15.97 63.36 Favored 'General case' 0 N--CA 1.442 -0.843 0 O-C-N 120.322 -1.486 . . . . 0.0 113.315 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.51 -0.99 0.05 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 129.546 3.138 . . . . 0.0 115.235 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -85.11 14.11 5.44 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.824 2.449 . . . . 0.0 115.597 -169.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.06 -58.25 2.05 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 119.551 -1.968 . . . . 0.0 110.233 151.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -45.63 51.9 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 128.737 2.815 . . . . 0.0 114.857 -169.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.46 -32.79 25.84 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.423 0.63 . . . . 0.0 111.983 -176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 46.1 mm -71.19 -39.82 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.942 0 C-N-CA 125.083 1.353 . . . . 0.0 111.18 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -66.11 -36.61 83.63 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 126.504 1.922 . . . . 0.0 114.078 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -64.04 0.96 Allowed 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.593 0.757 . . . . 0.0 112.701 157.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.32 -43.13 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.165 -165.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.83 65.4 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.05 -37.43 17.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 C-N-CA 125.037 1.335 . . . . 0.0 110.455 176.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' C' ' 52' ' ' ALA . 65.8 mt -70.12 -34.17 58.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 128.559 2.744 . . . . 0.0 110.469 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' D' ' 87' ' ' TYR . 36.4 mt -57.04 -54.65 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 CA-C-N 119.643 1.11 . . . . 0.0 112.108 169.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -58.72 -41.45 86.4 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 125.102 1.361 . . . . 0.0 114.212 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.12 -33.82 56.78 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.26 -19.38 72.1 Favored Glycine 0 C--O 1.216 -1.026 0 C-N-CA 128.218 2.818 . . . . 0.0 113.829 -177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.41 52.13 54.51 Favored Glycine 0 C--O 1.21 -1.389 0 CA-C-N 118.903 1.352 . . . . 0.0 113.678 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . 0.423 ' HD2' ' HA ' ' D' ' 82' ' ' ILE . 2.0 m-85 -60.81 -20.32 61.35 Favored 'General case' 0 C--O 1.183 -2.395 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 -171.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.283 -2.315 0 O-C-N 118.365 -2.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.941 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 46.24 20.09 0.08 Allowed 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 128.734 2.814 . . . . 0.0 118.071 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -59.26 -21.45 59.63 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 119.06 -2.275 . . . . 0.0 115.441 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.99 -7.48 0.48 Allowed 'General case' 0 N--CA 1.434 -1.242 0 C-N-CA 127.463 2.305 . . . . 0.0 114.473 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . 0.264 . . -54.32 -89.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 128.239 2.616 . . . . 0.0 113.829 -177.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.8 36.29 0.39 Allowed 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 120.086 -1.634 . . . . 0.0 112.761 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.3 -39.03 3.45 Favored 'General case' 0 C--O 1.216 -0.703 0 C-N-CA 131.523 3.929 . . . . 0.0 111.185 168.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -101.03 -45.36 5.43 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 125.763 1.625 . . . . 0.0 110.993 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.4 mm -60.62 -33.23 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 C-N-CA 124.646 1.178 . . . . 0.0 111.088 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' ALA . 25.5 pttt -57.18 -56.69 18.48 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 118.849 0.749 . . . . 0.0 112.027 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . . . -52.24 -48.08 65.38 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 112.722 -2.035 . . . . 0.0 111.511 170.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -42.38 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-O 117.954 -1.022 . . . . 0.0 111.152 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.84 -18.84 65.57 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 121.408 1.913 . . . . 0.0 113.986 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.16 -43.5 14.91 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 124.847 1.259 . . . . 0.0 112.446 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -69.09 -28.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 126.939 2.096 . . . . 0.0 109.259 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.78 -52.32 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 120.787 1.63 . . . . 0.0 110.819 170.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -65.29 -43.58 90.69 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 125.763 1.625 . . . . 0.0 113.514 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.21 -31.68 23.06 Favored 'General case' 0 C--O 1.208 -1.102 0 C-N-CA 124.304 1.042 . . . . 0.0 112.827 -172.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.06 -47.95 50.55 Favored Glycine 0 N--CA 1.435 -1.384 0 C-N-CA 128.613 3.006 . . . . 0.0 110.983 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.59 36.09 3.62 Favored Glycine 0 C--O 1.203 -1.782 0 C-N-CA 126.396 1.951 . . . . 0.0 115.7 173.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -56.38 140.52 45.19 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 119.939 1.87 . . . . 0.0 111.62 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.56 0 O-C-N 120.468 -1.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.301 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.7 -23.58 18.18 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -61.9 -11.17 11.71 Favored 'General case' 0 N--CA 1.436 -1.13 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 172.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.75 -17.25 0.1 Allowed 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 126.379 1.872 . . . . 0.0 114.18 160.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.32 -89.96 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 128.244 2.617 . . . . 0.0 113.783 -172.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.14 35.41 0.38 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-O 121.469 0.652 . . . . 0.0 111.727 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -110.1 -35.03 6.22 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 127.995 2.518 . . . . 0.0 112.231 160.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.73 -54.9 3.07 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 122.752 1.263 . . . . 0.0 112.087 172.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 mm -53.79 -34.0 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 126.747 2.019 . . . . 0.0 112.871 -177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.549 ' HG3' ' H ' ' B' ' 33' ' ' ALA . 8.5 ptmt -52.01 -61.58 2.17 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 123.303 1.525 . . . . 0.0 114.175 174.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.549 ' H ' ' HG3' ' B' ' 32' ' ' LYS . . . -57.41 -45.26 84.79 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 112.662 -2.063 . . . . 0.0 110.586 171.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mm -68.23 -44.06 84.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.552 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.17 -17.66 64.94 Favored 'General case' 0 C--O 1.208 -1.11 0 CA-C-N 121.313 1.87 . . . . 0.0 114.573 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.97 -36.92 13.82 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.589 1.955 . . . . 0.0 112.694 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.66 -37.65 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 C-N-CA 126.885 2.074 . . . . 0.0 110.65 171.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.38 -51.11 76.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 C-N-CA 123.114 0.566 . . . . 0.0 112.2 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -54.13 -42.07 69.08 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 125.083 1.353 . . . . 0.0 112.586 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.61 -17.38 56.13 Favored 'General case' 0 C--O 1.2 -1.531 0 C-N-CA 126.556 1.942 . . . . 0.0 115.883 174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.41 -17.59 54.79 Favored Glycine 0 C--O 1.213 -1.203 0 C-N-CA 128.108 2.766 . . . . 0.0 116.908 -165.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 N--CA 1.438 -1.216 0 CA-C-N 118.181 0.99 . . . . 0.0 113.435 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -59.37 -24.51 63.47 Favored 'General case' 0 C--O 1.156 -3.865 0 C-N-CA 127.463 2.305 . . . . 0.0 115.531 173.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.273 -2.726 0 O-C-N 119.491 -2.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.282 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.5 14.38 1.17 Allowed 'General case' 0 N--CA 1.428 -1.531 0 C-N-CA 128.726 2.81 . . . . 0.0 115.22 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' C' ' 49' ' ' ALA . 71.0 mmtt -61.62 -17.12 53.95 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 127.49 2.316 . . . . 0.0 113.517 176.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.68 -3.55 0.21 Allowed 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 129.513 3.125 . . . . 0.0 114.548 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' C' ' 47' ' ' LYS . . . -67.81 -80.15 0.05 OUTLIER 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.891 2.476 . . . . 0.0 114.196 -163.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.67 -0.51 2.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.45 -64.92 1.08 Allowed 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 120.708 -1.245 . . . . 0.0 110.057 159.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.78 3.07 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 119.017 0.826 . . . . 0.0 112.247 -169.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -13.74 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-N 119.414 1.006 . . . . 0.0 111.545 -165.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.97 -40.11 12.56 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 127.037 2.135 . . . . 0.0 108.476 -165.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.51 -46.97 77.59 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 123.574 0.75 . . . . 0.0 110.929 160.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 mp -63.6 -39.29 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.62 0 O-C-N 119.974 -1.703 . . . . 0.0 111.138 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.01 -23.98 66.77 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.62 -37.35 18.15 Favored 'General case' 0 C--O 1.21 -0.99 0 C-N-CA 125.512 1.525 . . . . 0.0 111.816 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -63.16 -34.16 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 O-C-N 119.965 -1.709 . . . . 0.0 111.186 170.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.83 -49.73 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 124.865 1.266 . . . . 0.0 112.675 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -63.8 -38.74 92.22 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -31.55 72.6 Favored 'General case' 0 C--O 1.203 -1.353 0 C-N-CA 126.117 1.767 . . . . 0.0 114.028 165.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.46 -18.33 79.91 Favored Glycine 0 C--O 1.177 -3.425 0 C-N-CA 128.183 2.801 . . . . 0.0 115.921 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.97 20.16 79.85 Favored Glycine 0 C--N 1.298 -1.55 0 O-C-N 119.63 -2.1 . . . . 0.0 115.292 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -59.14 -22.53 61.05 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 127.559 2.344 . . . . 0.0 116.853 177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.003 0 CA-C-N 119.396 0.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 49.82 16.32 0.21 Allowed 'General case' 0 N--CA 1.437 -1.117 0 C-N-CA 128.458 2.703 . . . . 0.0 116.263 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' D' ' 71' ' ' ALA . 46.8 mmtm -65.18 -14.93 61.8 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 174.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.78 1.05 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 170.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' D' ' 69' ' ' LYS . . . -81.63 5.93 16.68 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 127.279 2.232 . . . . 0.0 115.514 -165.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.45 -55.76 2.3 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 118.111 0.414 . . . . 0.0 110.592 154.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.49 -40.83 75.62 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 126.678 1.991 . . . . 0.0 113.819 -167.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.81 -35.8 32.5 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 122.851 1.31 . . . . 0.0 110.839 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mm -67.62 -44.03 86.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 O-C-N 120.69 -1.257 . . . . 0.0 113.358 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -65.76 -31.16 71.98 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.407 1.483 . . . . 0.0 112.308 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.77 -64.19 0.99 Allowed 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.529 0.681 . . . . 0.0 110.931 160.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.287 1.3 tt -69.42 -41.23 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 O-C-N 119.909 -1.745 . . . . 0.0 110.973 -164.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.45 -22.46 66.97 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -88.37 -36.95 16.29 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 125.098 1.359 . . . . 0.0 111.643 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 C-N-CA 125.238 1.415 . . . . 0.0 111.379 172.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mt -59.69 -50.51 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 C-N-CA 126.093 1.757 . . . . 0.0 111.66 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -61.85 -30.19 70.68 Favored 'General case' 0 C--O 1.205 -1.283 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 176.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.11 -23.05 33.21 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 125.848 1.659 . . . . 0.0 114.941 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.83 -22.64 27.69 Favored Glycine 0 C--O 1.179 -3.296 0 C-N-CA 128.463 2.935 . . . . 0.0 115.516 -163.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 67.51 37.03 89.51 Favored Glycine 0 C--O 1.196 -2.28 0 CA-C-N 119.326 1.563 . . . . 0.0 115.909 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -67.15 -16.73 64.5 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 120.162 -1.787 . . . . 0.0 114.55 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.425 0 O-C-N 117.974 -2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_