==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 05-OCT-11 3U3B . COMPND 2 MOLECULE: COMPUTATIONALLY DESIGNED FOUR-HELIX BUNDLE PROTEI . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR G.S.MURPHY,M.MACHIUS . 206 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 90.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 3 0 0 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A G > 0 0 61 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-175.6 -1.4 -46.4 1.9 2 3 A S H > + 0 0 100 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.830 360.0 51.3 -57.9 -33.1 -1.4 -43.5 4.4 3 4 A H H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.855 107.3 52.3 -73.6 -34.0 2.2 -42.9 3.4 4 5 A Q H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.860 109.7 49.4 -65.7 -36.4 1.1 -42.9 -0.3 5 6 A E H X S+ 0 0 135 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 108.6 54.1 -70.5 -38.0 -1.5 -40.3 0.6 6 7 A Y H X S+ 0 0 121 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.925 108.1 47.5 -59.4 -48.6 1.1 -38.2 2.4 7 8 A I H X S+ 0 0 47 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.866 111.7 51.3 -64.1 -35.1 3.4 -38.1 -0.6 8 9 A K H X S+ 0 0 125 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.918 110.3 49.1 -66.3 -43.8 0.5 -37.1 -2.8 9 10 A K H X S+ 0 0 159 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.875 112.8 48.1 -59.2 -40.4 -0.5 -34.3 -0.4 10 11 A V H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.922 112.9 46.0 -72.1 -41.6 3.1 -33.0 -0.3 11 12 A T H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.827 111.0 53.2 -71.2 -32.5 3.6 -33.1 -4.1 12 13 A D H X S+ 0 0 75 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.864 108.1 51.6 -66.9 -35.3 0.2 -31.4 -4.6 13 14 A E H X S+ 0 0 85 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.898 109.7 49.2 -66.5 -39.7 1.3 -28.7 -2.2 14 15 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.886 109.9 51.2 -68.2 -39.9 4.5 -28.2 -4.2 15 16 A K H X S+ 0 0 87 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.850 108.7 52.2 -64.0 -37.0 2.6 -28.0 -7.4 16 17 A E H X S+ 0 0 120 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.948 109.7 48.5 -60.5 -51.5 0.3 -25.3 -5.9 17 18 A L H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 111.0 51.2 -58.7 -41.4 3.3 -23.3 -4.8 18 19 A I H X S+ 0 0 8 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.926 109.5 49.0 -61.9 -46.3 4.8 -23.6 -8.4 19 20 A Q H X S+ 0 0 91 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.894 109.3 53.9 -59.4 -39.9 1.6 -22.4 -9.9 20 21 A N H X S+ 0 0 63 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.907 109.9 47.1 -58.9 -43.7 1.6 -19.5 -7.4 21 22 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 111.8 50.3 -64.7 -42.3 5.1 -18.6 -8.6 22 23 A N H X S+ 0 0 29 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.882 108.8 52.1 -62.8 -38.5 4.1 -18.9 -12.3 23 24 A D H X S+ 0 0 70 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.901 112.4 45.6 -65.3 -39.7 1.1 -16.6 -11.6 24 25 A D H X S+ 0 0 33 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.867 108.6 56.2 -72.2 -33.3 3.4 -14.0 -10.0 25 26 A I H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.876 102.8 56.0 -64.8 -35.9 5.9 -14.3 -12.9 26 27 A K H X S+ 0 0 98 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.915 111.1 44.3 -61.1 -41.2 3.2 -13.4 -15.3 27 28 A E H >< S+ 0 0 73 -4,-1.2 3,-0.9 1,-0.2 4,-0.5 0.891 111.6 50.5 -70.7 -42.7 2.5 -10.2 -13.4 28 29 A V H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 6,-0.3 0.764 99.1 68.7 -70.7 -21.0 6.2 -9.2 -13.0 29 30 A E H 3< S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.836 96.3 53.3 -59.4 -35.5 6.6 -9.8 -16.7 30 31 A K T << S+ 0 0 157 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.670 129.6 15.7 -74.7 -20.1 4.5 -6.7 -17.3 31 32 A N S X S- 0 0 88 -3,-0.7 3,-2.2 -4,-0.5 -1,-0.3 -0.576 71.6-173.5-155.6 79.4 6.7 -4.6 -15.0 32 33 A P T 3 S+ 0 0 40 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.657 80.9 59.7 -60.2 -22.5 10.0 -6.3 -14.4 33 34 A E T 3 S+ 0 0 95 1,-0.0 2,-1.5 4,-0.0 3,-0.1 0.326 70.3 119.3 -88.0 5.7 11.3 -3.8 -11.8 34 35 A D X> - 0 0 43 -3,-2.2 4,-1.3 -6,-0.3 3,-1.1 -0.573 43.2-173.1 -77.8 93.0 8.3 -4.5 -9.5 35 36 A M H 3> S+ 0 0 62 -2,-1.5 4,-2.6 1,-0.3 5,-0.2 0.685 74.9 73.1 -62.6 -17.8 10.2 -5.7 -6.4 36 37 A E H 3> S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.934 101.6 41.7 -62.8 -42.1 7.0 -6.6 -4.7 37 38 A Y H <> S+ 0 0 63 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.916 112.6 53.5 -73.3 -38.3 6.5 -9.6 -7.0 38 39 A W H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.913 109.3 49.6 -62.9 -40.0 10.2 -10.6 -6.8 39 40 A N H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.926 111.7 47.2 -61.7 -46.3 10.0 -10.6 -3.0 40 41 A K H X S+ 0 0 85 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.905 113.0 50.7 -61.5 -42.8 6.9 -12.8 -3.0 41 42 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.915 107.9 51.5 -60.3 -45.3 8.5 -15.1 -5.5 42 43 A Y H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.936 111.8 47.2 -58.7 -47.1 11.7 -15.4 -3.5 43 44 A R H X S+ 0 0 33 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.834 111.1 51.2 -67.6 -32.5 9.6 -16.4 -0.4 44 45 A L H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.931 111.9 46.8 -65.1 -46.6 7.5 -18.9 -2.3 45 46 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.879 110.0 53.4 -64.5 -38.9 10.6 -20.6 -3.7 46 47 A H H X S+ 0 0 6 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.857 108.2 51.5 -61.6 -38.3 12.2 -20.6 -0.2 47 48 A T H X S+ 0 0 35 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.916 110.5 47.6 -63.9 -46.4 9.1 -22.3 1.1 48 49 A M H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.886 108.9 54.7 -61.1 -40.7 9.4 -25.0 -1.6 49 50 A K H X S+ 0 0 25 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.907 105.7 52.0 -62.3 -45.2 13.1 -25.5 -0.9 50 51 A E H X S+ 0 0 33 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.921 111.7 47.5 -54.4 -49.7 12.3 -26.2 2.8 51 52 A I H X S+ 0 0 23 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.935 110.6 50.3 -60.6 -46.4 9.7 -28.8 1.8 52 53 A T H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-1.3 0.851 109.3 52.3 -64.6 -31.8 12.0 -30.6 -0.8 53 54 A E H <5S+ 0 0 101 -4,-2.0 -1,-0.2 2,-0.2 3,-0.2 0.908 108.9 49.8 -68.7 -42.0 14.8 -30.8 1.8 54 55 A T H <5S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.4 45.4 -59.4 -40.9 12.4 -32.4 4.3 55 56 A M H <5S- 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.661 110.3-119.3 -81.1 -17.3 11.4 -34.9 1.6 56 57 A G T <5 + 0 0 54 -4,-1.3 2,-2.0 -3,-0.2 3,-0.2 0.680 59.6 151.7 83.7 20.1 14.9 -35.7 0.4 57 58 A F >>< + 0 0 18 -5,-2.3 4,-2.3 1,-0.2 3,-0.5 -0.493 13.2 166.7 -80.6 71.4 14.0 -34.4 -3.1 58 59 A S H 3> + 0 0 74 -2,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.796 66.3 54.1 -64.3 -36.4 17.7 -33.4 -3.8 59 60 A S H 3> S+ 0 0 43 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.847 113.4 43.8 -68.6 -33.6 17.5 -32.9 -7.5 60 61 A V H X> S+ 0 0 2 -3,-0.5 4,-2.6 2,-0.2 3,-0.6 0.928 109.6 55.8 -74.8 -46.7 14.6 -30.5 -7.1 61 62 A A H 3X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.854 103.7 55.5 -51.2 -40.8 16.2 -28.6 -4.2 62 63 A K H 3X S+ 0 0 142 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.857 109.5 45.6 -67.5 -35.8 19.3 -27.9 -6.2 63 64 A V H S+ 0 0 84 -4,-1.9 5,-3.0 -5,-0.2 6,-0.9 0.881 109.9 49.7 -56.0 -39.1 20.8 -11.0 -7.0 74 75 A M H ><5S+ 0 0 0 -4,-1.6 3,-0.9 3,-0.2 -1,-0.2 0.874 110.6 49.7 -66.9 -40.1 17.7 -9.2 -8.5 75 76 A L H 3<5S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 112.7 45.0 -68.0 -36.7 16.4 -8.1 -5.1 76 77 A N T 3<5S- 0 0 57 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.131 114.8-113.8-104.3 38.1 19.7 -6.7 -3.8 77 78 A S T < 5S+ 0 0 103 -3,-0.9 -3,-0.2 1,-0.1 3,-0.1 0.689 72.9 136.1 36.3 43.2 20.4 -4.9 -7.1 78 79 A E S - 0 0 58 -2,-0.8 4,-1.8 1,-0.1 5,-0.1 -0.568 49.9-107.9-109.2 169.0 15.9 -8.1 -18.2 83 84 A S H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.908 120.8 53.6 -54.8 -44.2 13.5 -10.2 -20.3 84 85 A D H > S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.834 105.2 51.6 -67.3 -34.8 16.3 -12.8 -20.6 85 86 A L H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.892 110.1 50.0 -68.1 -37.4 16.9 -13.1 -16.9 86 87 A I H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.904 107.6 55.4 -66.3 -37.3 13.1 -13.7 -16.4 87 88 A D H X S+ 0 0 78 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.862 104.4 52.1 -63.4 -35.7 13.4 -16.4 -19.1 88 89 A K H X S+ 0 0 109 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.902 109.7 49.9 -70.8 -36.9 16.1 -18.2 -17.2 89 90 A V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.922 112.1 47.6 -58.6 -49.5 13.9 -18.2 -14.1 90 91 A K H X S+ 0 0 50 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 109.5 53.9 -58.5 -44.9 11.0 -19.6 -16.1 91 92 A K H X S+ 0 0 140 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.894 111.3 45.0 -59.8 -40.6 13.2 -22.2 -17.7 92 93 A K H X S+ 0 0 32 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.852 108.7 55.5 -70.3 -37.2 14.4 -23.4 -14.3 93 94 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.873 107.2 50.9 -63.7 -36.8 10.9 -23.4 -12.9 94 95 A D H X S+ 0 0 91 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.867 107.3 53.4 -67.3 -36.4 9.8 -25.7 -15.7 95 96 A M H X S+ 0 0 81 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.918 107.9 51.6 -59.0 -43.4 12.8 -27.9 -14.9 96 97 A V H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 109.2 50.0 -61.3 -43.4 11.4 -28.0 -11.3 97 98 A T H X S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 113.6 44.5 -64.0 -43.0 8.0 -29.0 -12.6 98 99 A R H X S+ 0 0 182 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.938 113.7 49.3 -64.7 -48.5 9.3 -31.8 -14.7 99 100 A E H >< S+ 0 0 57 -4,-2.8 3,-0.5 1,-0.2 -2,-0.2 0.870 112.5 49.1 -61.2 -36.9 11.7 -33.2 -12.0 100 101 A L H >< S+ 0 0 4 -4,-2.2 3,-3.2 -5,-0.3 4,-0.4 0.904 98.8 65.8 -68.5 -41.6 8.8 -33.1 -9.6 101 102 A D H >< S+ 0 0 68 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.765 91.5 66.5 -52.4 -26.5 6.5 -34.9 -12.0 102 103 A K T << S+ 0 0 151 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.439 86.4 70.2 -75.7 0.2 8.9 -37.8 -11.6 103 104 A K T < 0 0 82 -3,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.649 360.0 360.0 -93.5 -19.0 7.8 -38.2 -7.9 104 105 A V < 0 0 126 -3,-0.9 -1,-0.2 -4,-0.4 -96,-0.0 -0.963 360.0 360.0-110.2 360.0 4.3 -39.4 -8.8 105 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 106 4 B H >> 0 0 188 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 6.0 3.4 11.5 7.1 107 5 B Q H 3> + 0 0 93 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.749 360.0 58.6 -58.3 -22.6 4.0 10.7 10.7 108 6 B E H 3> S+ 0 0 134 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.891 107.6 44.4 -76.9 -36.4 0.7 8.8 10.9 109 7 B Y H <> S+ 0 0 156 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.873 111.0 55.3 -73.4 -36.2 1.7 6.3 8.2 110 8 B I H X S+ 0 0 41 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.934 107.3 49.5 -58.2 -43.5 5.2 6.0 9.7 111 9 B K H X S+ 0 0 120 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.855 110.5 51.4 -67.5 -33.7 3.6 5.0 13.1 112 10 B K H X S+ 0 0 91 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.938 113.5 43.4 -66.0 -46.1 1.4 2.5 11.2 113 11 B V H X S+ 0 0 20 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.879 112.5 50.9 -67.5 -42.2 4.3 0.9 9.5 114 12 B T H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.883 110.4 51.6 -64.9 -34.6 6.6 0.8 12.5 115 13 B D H X S+ 0 0 86 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.894 109.4 48.9 -69.7 -35.5 3.7 -0.8 14.4 116 14 B E H X S+ 0 0 104 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.847 110.8 51.8 -67.4 -34.0 3.4 -3.5 11.6 117 15 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.880 106.6 53.1 -70.7 -38.7 7.2 -4.0 11.8 118 16 B K H X S+ 0 0 56 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.792 104.8 54.9 -65.3 -31.2 7.0 -4.5 15.6 119 17 B E H X S+ 0 0 127 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.925 109.9 47.2 -66.7 -44.3 4.3 -7.2 15.1 120 18 B L H X S+ 0 0 27 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.904 110.1 52.5 -61.2 -44.5 6.7 -9.0 12.8 121 19 B I H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.896 108.9 50.0 -59.3 -42.1 9.5 -8.6 15.3 122 20 B Q H X S+ 0 0 102 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.892 107.9 53.5 -64.5 -42.2 7.4 -10.1 18.1 123 21 B N H X S+ 0 0 55 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.920 110.5 48.2 -53.8 -44.3 6.5 -13.0 15.8 124 22 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.908 110.1 50.2 -64.5 -43.7 10.3 -13.5 15.3 125 23 B N H X S+ 0 0 46 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.870 108.7 52.9 -64.1 -35.9 10.9 -13.3 19.1 126 24 B D H X S+ 0 0 78 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.907 110.5 47.3 -63.4 -41.3 8.2 -15.9 19.7 127 25 B D H X S+ 0 0 18 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.863 109.9 53.6 -69.3 -35.6 9.8 -18.2 17.1 128 26 B I H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 103.3 56.2 -63.9 -39.5 13.2 -17.7 18.8 129 27 B K H X S+ 0 0 109 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.895 112.5 43.2 -57.4 -42.2 11.9 -18.6 22.2 130 28 B E H >X S+ 0 0 76 -4,-1.3 3,-0.6 1,-0.2 4,-0.5 0.869 112.7 50.8 -73.6 -35.1 10.8 -21.9 20.6 131 29 B V H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 6,-0.3 0.789 99.0 65.8 -79.7 -22.7 14.0 -22.5 18.7 132 30 B E H 3< S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.818 100.3 51.7 -62.6 -30.8 16.1 -21.9 21.8 133 31 B K H << S+ 0 0 116 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.669 130.5 16.7 -82.3 -20.0 14.6 -25.1 23.3 134 32 B N S X< S+ 0 0 109 -3,-0.6 3,-2.1 -4,-0.5 -1,-0.3 -0.568 72.1 179.2-151.5 80.3 15.5 -27.1 20.2 135 33 B P T 3 S+ 0 0 45 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.640 77.9 63.1 -67.5 -16.1 18.1 -25.1 18.2 136 34 B E T 3 S+ 0 0 171 -5,-0.0 2,-1.1 -4,-0.0 -4,-0.1 0.452 71.8 113.9 -85.2 -1.1 18.3 -27.8 15.5 137 35 B D X> - 0 0 56 -3,-2.1 4,-1.2 -6,-0.3 3,-0.8 -0.577 46.2-171.5 -79.4 101.4 14.6 -27.4 14.5 138 36 B M H 3> S+ 0 0 62 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.668 75.1 73.5 -69.8 -16.1 14.8 -26.0 11.0 139 37 B E H 3> S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.939 101.9 41.8 -63.3 -41.8 11.1 -25.3 10.8 140 38 B Y H <> S+ 0 0 74 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.905 113.0 52.5 -71.5 -40.0 11.5 -22.4 13.1 141 39 B W H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.897 109.8 49.2 -63.5 -40.7 14.7 -21.1 11.5 142 40 B N H X S+ 0 0 15 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 112.2 48.6 -62.4 -42.1 13.0 -21.2 8.0 143 41 B K H X S+ 0 0 90 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.936 111.4 49.4 -63.2 -47.1 10.0 -19.3 9.5 144 42 B I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.907 109.1 53.1 -57.1 -45.7 12.3 -16.7 11.1 145 43 B Y H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.930 110.6 45.7 -59.7 -46.3 14.2 -16.2 7.8 146 44 B R H X S+ 0 0 45 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.873 112.5 51.8 -68.3 -34.4 11.0 -15.5 5.8 147 45 B L H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.948 112.7 44.7 -61.6 -47.3 9.8 -13.1 8.6 148 46 B V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.881 111.0 54.2 -66.3 -38.1 13.1 -11.2 8.5 149 47 B H H X S+ 0 0 8 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.880 108.6 49.7 -59.1 -45.2 13.1 -11.2 4.7 150 48 B T H X S+ 0 0 37 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.915 111.2 48.6 -58.2 -45.4 9.6 -9.7 4.9 151 49 B M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.896 108.1 54.7 -63.9 -41.0 10.8 -7.0 7.3 152 50 B K H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.905 106.2 51.1 -60.9 -43.4 13.8 -6.2 5.1 153 51 B E H X S+ 0 0 33 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.905 111.6 48.5 -60.0 -43.9 11.6 -5.5 2.1 154 52 B I H X S+ 0 0 43 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.953 111.4 48.0 -60.9 -50.9 9.4 -3.2 4.1 155 53 B T H X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.7 0.846 109.6 53.9 -64.5 -32.6 12.3 -1.2 5.6 156 54 B E H <5S+ 0 0 104 -4,-2.3 3,-0.5 -5,-0.2 -1,-0.2 0.875 108.1 49.9 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167 65 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 108.2 54.1 -58.4 -42.0 18.1 -7.2 9.0 168 66 B H H X S+ 0 0 63 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.901 106.2 51.0 -58.7 -41.7 20.3 -8.3 6.1 169 67 B T H X S+ 0 0 53 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.857 109.5 51.9 -66.0 -34.0 23.1 -9.4 8.6 170 68 B I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.898 108.9 49.8 -64.1 -43.9 20.5 -11.4 10.5 171 69 B M H X S+ 0 0 7 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.905 108.0 53.2 -63.6 -41.3 19.3 -13.2 7.4 172 70 B N H X S+ 0 0 71 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.910 111.4 46.8 -61.0 -42.4 22.8 -14.1 6.4 173 71 B L H X S+ 0 0 14 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.946 114.5 45.8 -61.3 -50.8 23.4 -15.6 9.8 174 72 B V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.897 110.0 54.9 -64.0 -38.9 20.1 -17.5 9.7 175 73 B D H X S+ 0 0 42 -4,-3.3 4,-1.8 1,-0.2 6,-0.3 0.890 105.4 52.3 -61.9 -39.8 20.8 -18.7 6.2 176 74 B K H <>S+ 0 0 76 -4,-1.9 5,-2.4 -5,-0.2 6,-0.7 0.916 109.9 49.6 -62.3 -39.4 24.1 -20.1 7.3 177 75 B M H ><5S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.909 109.1 52.2 -63.0 -44.8 22.3 -22.0 10.0 178 76 B L H 3<5S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 112.4 44.6 -59.5 -35.9 19.7 -23.3 7.5 179 77 B N T 3<5S- 0 0 60 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.306 112.9-116.6 -95.2 10.0 22.4 -24.6 5.2 180 78 B S T < 5S+ 0 0 95 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.705 74.8 135.6 60.2 22.9 24.4 -26.2 8.1 181 79 B E S - 0 0 50 -2,-1.3 4,-1.7 1,-0.1 5,-0.1 -0.491 44.1-112.6 -97.3 167.9 25.2 -22.3 19.3 186 84 B S H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.872 118.4 52.5 -62.2 -40.2 23.8 -20.5 22.3 187 85 B D H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.823 106.3 52.9 -68.8 -34.0 26.0 -17.5 21.6 188 86 B L H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 108.2 49.4 -69.2 -39.0 24.9 -17.3 18.0 189 87 B I H X S+ 0 0 5 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.913 110.0 53.0 -65.5 -38.1 21.3 -17.2 19.0 190 88 B D H X S+ 0 0 67 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.864 105.1 54.2 -63.8 -36.7 22.3 -14.4 21.4 191 89 B K H X S+ 0 0 99 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.892 110.0 47.4 -61.5 -41.2 23.9 -12.5 18.6 192 90 B V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.906 112.5 48.4 -67.8 -43.7 20.6 -12.7 16.6 193 91 B K H X S+ 0 0 58 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 109.1 54.2 -59.6 -43.9 18.6 -11.6 19.7 194 92 B K H X S+ 0 0 99 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.901 109.8 47.4 -58.7 -42.7 21.0 -8.7 20.2 195 93 B K H X S+ 0 0 30 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.866 109.0 52.3 -70.5 -36.3 20.5 -7.5 16.6 196 94 B L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.851 108.3 51.9 -67.2 -35.0 16.7 -7.7 16.7 197 95 B D H X S+ 0 0 86 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.876 107.4 53.0 -67.7 -38.0 16.8 -5.6 19.9 198 96 B M H X S+ 0 0 81 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.921 109.6 49.1 -56.1 -45.7 18.9 -3.1 18.0 199 97 B V H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.912 108.9 52.8 -64.8 -40.9 16.3 -3.1 15.2 200 98 B T H X S+ 0 0 34 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 109.9 46.9 -61.4 -44.4 13.5 -2.5 17.8 201 99 B R H X S+ 0 0 182 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.880 111.5 51.6 -66.9 -38.8 15.2 0.5 19.4 202 100 B E H X S+ 0 0 73 -4,-2.1 4,-0.9 1,-0.2 3,-0.3 0.896 109.2 50.3 -66.6 -38.8 16.0 2.0 15.9 203 101 B L H >X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.7 0.914 105.6 56.3 -63.2 -41.5 12.3 1.6 14.9 204 102 B D H >< S+ 0 0 66 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.814 101.8 58.0 -56.4 -33.5 11.2 3.3 18.2 205 103 B K H 3< S+ 0 0 159 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.812 95.1 63.6 -68.1 -32.4 13.4 6.3 17.2 206 104 B K H << 0 0 86 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.774 360.0 360.0 -61.7 -24.6 11.4 6.7 14.0 207 105 B V << 0 0 70 -4,-0.7 -100,-0.0 -3,-0.7 -3,-0.0 -0.308 360.0 360.0-129.2 360.0 8.4 7.4 16.1