==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 18-JUL-10 3O00 . COMPND 2 MOLECULE: CELL INVASION PROTEIN SIPD; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR S.CHATTERJEE,D.ZHONG,B.A.NORDHUES,K.P.BATTAILE,S.LOVELL,R.N. . 551 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 79.5 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 . 40 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 21 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 3 1 0 1 3 0 1 0 0 0 1 3 0 1 0 0 0 0 0 2 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 . 2 2 2 4 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 2 2 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 36 A G 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -4.7 -2.1 21.8 -0.7 2 37 A H + 0 0 160 2,-0.1 2,-0.7 0, 0.0 0, 0.0 0.471 360.0 96.8 -99.2 -9.1 -0.8 22.3 -4.3 3 38 A M - 0 0 148 2,-0.0 2,-0.1 342,-0.0 339,-0.0 -0.784 62.9-153.2 -88.8 115.8 1.3 25.5 -3.7 4 39 A E - 0 0 111 -2,-0.7 3,-0.1 338,-0.1 -2,-0.1 -0.461 12.3-168.3 -84.8 161.7 5.0 24.5 -3.2 5 40 A H > + 0 0 67 -2,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.347 20.8 157.8-149.7 61.5 7.3 26.6 -1.2 6 41 A R H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 341,-0.2 0.872 74.6 56.8 -51.8 -46.1 10.9 25.4 -1.8 7 42 A G H > S+ 0 0 8 339,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.907 109.2 42.7 -56.1 -50.1 12.4 28.7 -0.8 8 43 A T H > S+ 0 0 25 338,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.896 113.7 53.8 -64.1 -40.0 10.9 28.9 2.6 9 44 A D H X S+ 0 0 23 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.917 107.4 50.9 -60.5 -44.2 11.7 25.1 3.1 10 45 A I H X S+ 0 0 34 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.941 112.3 46.1 -59.6 -48.6 15.4 25.8 2.3 11 46 A I H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.959 115.9 45.7 -56.6 -55.4 15.6 28.6 4.8 12 47 A S H X S+ 0 0 22 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.906 116.0 44.0 -53.8 -51.0 13.8 26.6 7.6 13 48 A L H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.901 114.0 50.5 -68.8 -37.9 15.8 23.4 7.0 14 49 A S H X S+ 0 0 40 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.874 109.7 50.9 -67.7 -36.8 19.1 25.3 6.8 15 50 A Q H X S+ 0 0 45 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.934 112.3 45.9 -64.1 -48.1 18.4 27.2 10.0 16 51 A A H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.944 111.5 52.4 -60.8 -49.8 17.7 23.9 11.9 17 52 A A H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.900 110.4 48.8 -51.3 -48.0 20.8 22.2 10.4 18 53 A T H X S+ 0 0 46 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.911 112.9 45.4 -62.0 -42.4 23.0 25.1 11.6 19 54 A K H X S+ 0 0 28 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.887 114.2 49.6 -72.2 -35.8 21.6 25.2 15.1 20 55 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.958 111.7 48.1 -64.8 -47.8 21.8 21.4 15.4 21 56 A H H X S+ 0 0 94 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.868 110.7 52.1 -58.9 -43.3 25.5 21.4 14.1 22 57 A Q H X S+ 0 0 42 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 111.4 45.5 -59.8 -47.0 26.4 24.1 16.5 23 58 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.933 113.3 51.5 -62.7 -44.5 24.9 22.3 19.6 24 59 A Q H X S+ 0 0 39 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.915 106.7 53.5 -60.7 -41.5 26.6 19.0 18.4 25 60 A Q H X S+ 0 0 117 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.933 111.2 46.1 -59.3 -43.7 30.0 20.8 18.1 26 61 A T H X S+ 0 0 31 -4,-1.9 4,-2.6 1,-0.2 3,-0.3 0.925 112.6 49.5 -62.8 -45.9 29.7 22.0 21.7 27 62 A L H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.810 115.3 44.4 -70.5 -28.2 28.6 18.6 23.0 28 63 A Q H < S+ 0 0 99 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.669 122.6 35.3 -81.7 -20.2 31.6 16.9 21.2 29 64 A S H < S+ 0 0 65 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.783 97.9 79.7-108.4 -23.7 34.2 19.4 22.2 30 65 A T S < S- 0 0 17 -4,-2.6 -1,-0.1 -5,-0.2 -4,-0.0 -0.739 70.3-140.9 -93.5 114.9 33.3 20.6 25.8 31 66 A P - 0 0 65 0, 0.0 2,-2.0 0, 0.0 3,-0.3 -0.485 17.3-125.8 -75.4 142.4 34.4 18.2 28.6 32 67 A P S S+ 0 0 7 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.340 74.1 120.2 -80.9 53.4 31.8 17.9 31.5 33 68 A I + 0 0 65 -2,-2.0 2,-0.3 69,-0.1 3,-0.1 0.415 66.7 27.8-105.7 1.7 34.5 18.8 34.0 34 69 A S S > S- 0 0 31 -3,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.977 78.2-109.2-155.0 161.9 33.2 22.0 35.6 35 70 A E H > S+ 0 0 148 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.937 119.9 52.9 -61.6 -44.9 29.9 23.7 36.5 36 71 A E H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 109.8 46.6 -56.5 -46.3 30.7 26.3 33.8 37 72 A N H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 112.1 51.1 -63.5 -45.8 31.3 23.6 31.1 38 73 A N H X S+ 0 0 16 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.864 106.2 54.6 -61.4 -34.5 28.1 21.8 32.0 39 74 A D H X S+ 0 0 95 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.919 108.4 49.6 -62.4 -42.6 26.1 25.1 31.8 40 75 A E H X S+ 0 0 86 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.893 112.6 47.1 -62.7 -39.4 27.5 25.5 28.2 41 76 A R H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.929 111.3 50.7 -70.5 -39.7 26.4 21.9 27.4 42 77 A T H X S+ 0 0 67 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.918 110.6 49.6 -60.9 -43.1 23.0 22.4 28.9 43 78 A L H X S+ 0 0 78 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.891 106.4 56.6 -64.3 -40.6 22.5 25.6 26.9 44 79 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 107.9 47.4 -56.5 -41.8 23.6 23.7 23.7 45 80 A R H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.898 109.3 53.3 -68.2 -35.7 20.8 21.2 24.3 46 81 A Q H X S+ 0 0 111 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 109.4 49.7 -63.0 -41.1 18.3 24.0 24.9 47 82 A Q H X S+ 0 0 70 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.893 110.6 50.6 -62.2 -37.9 19.3 25.5 21.6 48 83 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.955 111.4 45.5 -66.5 -50.6 18.9 22.2 19.9 49 84 A T H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.938 111.3 54.1 -62.1 -40.0 15.4 21.6 21.3 50 85 A S H X S+ 0 0 62 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.879 105.8 53.3 -58.3 -36.5 14.4 25.2 20.4 51 86 A S H X S+ 0 0 10 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.880 109.7 47.0 -69.1 -34.6 15.5 24.6 16.8 52 87 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.872 108.9 56.1 -71.3 -40.7 13.3 21.4 16.6 53 88 A N H X S+ 0 0 66 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.897 112.0 42.2 -52.9 -45.5 10.4 23.4 18.1 54 89 A A H < S+ 0 0 64 -4,-2.1 4,-0.4 2,-0.2 3,-0.3 0.880 113.1 53.0 -68.9 -40.3 10.8 26.1 15.3 55 90 A L H >< S+ 0 0 4 -4,-2.2 3,-1.5 1,-0.2 5,-0.5 0.902 102.1 59.0 -63.0 -38.2 11.2 23.4 12.6 56 91 A A H 3< S+ 0 0 29 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.852 108.3 46.1 -58.3 -33.6 8.0 21.7 13.8 57 92 A K T 3< S+ 0 0 174 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.465 94.0 82.7 -87.0 -5.5 6.1 24.9 13.0 58 93 A S S < S- 0 0 32 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.692 89.7-129.9 -78.7 -22.4 7.8 25.4 9.6 59 94 A G + 0 0 50 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.1 0.777 48.7 154.3 75.8 24.1 5.6 23.1 7.4 60 95 A V - 0 0 19 -5,-0.5 2,-0.3 -51,-0.1 -1,-0.3 -0.634 38.9-135.8 -71.2 137.8 8.4 21.2 5.8 61 96 A S - 0 0 100 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 -0.767 12.7-146.3 -99.9 154.8 6.9 17.9 4.8 62 97 A L - 0 0 37 -2,-0.3 2,-0.1 1,-0.0 211,-0.0 -0.883 17.3-115.0-113.4 146.6 8.7 14.6 5.4 63 98 A S > - 0 0 58 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.352 34.0-109.1 -62.2 157.7 8.6 11.4 3.3 64 99 A A H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.882 122.9 57.5 -56.1 -39.6 7.0 8.3 4.9 65 100 A E H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.9 42.0 -55.8 -50.1 10.5 7.0 5.0 66 101 A Q H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 112.6 54.9 -65.8 -43.2 11.8 10.0 7.1 67 102 A N H X S+ 0 0 31 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.923 110.5 46.4 -50.9 -49.5 8.7 9.8 9.2 68 103 A E H X S+ 0 0 103 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.907 109.4 53.1 -61.8 -46.2 9.5 6.2 9.9 69 104 A N H X S+ 0 0 64 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 113.1 45.1 -52.1 -43.8 13.2 6.9 10.7 70 105 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.950 112.3 50.5 -71.7 -48.1 12.1 9.5 13.2 71 106 A R H < S+ 0 0 102 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.930 115.6 41.9 -53.0 -54.0 9.4 7.3 14.7 72 107 A S H >< S+ 0 0 81 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.866 117.1 47.4 -63.3 -39.9 11.8 4.3 15.2 73 108 A A H 3< S+ 0 0 34 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.886 118.3 39.2 -71.0 -37.0 14.7 6.5 16.4 74 109 A F T 3< 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.092 360.0 360.0-107.3 26.4 12.7 8.5 18.9 75 110 A S < 0 0 125 -3,-0.6 -3,-0.0 -4,-0.3 -4,-0.0 -0.329 360.0 360.0-100.4 360.0 10.2 6.1 20.6 76 ! 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 77 133 A E > 0 0 179 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -39.1 3.2 16.3 15.2 78 134 A I H > + 0 0 15 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.940 360.0 52.5 -62.5 -46.7 6.3 14.1 14.6 79 135 A W H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.853 107.4 52.4 -59.6 -36.3 8.8 16.9 15.3 80 136 A D H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.873 109.1 50.0 -67.7 -35.3 7.2 17.7 18.7 81 137 A M H X S+ 0 0 58 -4,-1.7 4,-2.2 -3,-0.4 -2,-0.2 0.937 112.8 47.3 -64.0 -47.7 7.5 14.0 19.6 82 138 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.947 111.6 51.0 -57.9 -51.9 11.2 14.0 18.6 83 139 A S H X S+ 0 0 6 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.895 111.5 46.0 -55.5 -48.0 11.8 17.2 20.5 84 140 A Q H X S+ 0 0 139 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 114.7 48.7 -58.5 -41.6 10.2 15.8 23.8 85 141 A N H X S+ 0 0 36 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.949 114.9 41.8 -68.0 -50.5 12.1 12.5 23.5 86 142 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.883 112.6 55.1 -65.9 -37.0 15.5 14.0 22.9 87 143 A S H X S+ 0 0 27 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.899 107.7 50.4 -58.8 -45.8 15.0 16.7 25.5 88 144 A A H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.864 109.8 49.0 -61.2 -43.2 14.2 14.0 28.1 89 145 A I H X>S+ 0 0 38 -4,-1.9 5,-2.7 2,-0.2 4,-1.3 0.908 113.2 49.0 -64.2 -40.8 17.4 12.0 27.3 90 146 A G H <>S+ 0 0 1 -4,-2.3 5,-2.5 3,-0.2 -2,-0.2 0.957 120.3 34.8 -62.6 -49.6 19.4 15.2 27.5 91 147 A D H <5S+ 0 0 108 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.912 126.5 34.1 -72.2 -45.6 17.9 16.3 30.9 92 148 A S H <5S+ 0 0 80 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.530 133.3 15.6 -94.5 -14.8 17.4 12.9 32.7 93 149 A Y T X5S+ 0 0 68 -4,-1.3 4,-2.2 -5,-0.3 -3,-0.2 0.582 128.7 36.3-128.6 -66.1 20.3 10.9 31.4 94 150 A L H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.963 110.1 49.9 -64.9 -49.8 23.0 13.4 35.2 97 153 A Y H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.872 106.9 54.3 -55.4 -41.8 26.2 11.9 33.7 98 154 A E H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.929 110.0 47.6 -57.1 -45.3 27.7 15.3 33.2 99 155 A N H X S+ 0 0 28 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.919 107.9 55.3 -62.3 -41.0 27.1 16.1 36.8 100 156 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.939 111.7 44.3 -56.5 -48.2 28.7 12.7 37.8 101 157 A V H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.921 112.8 48.7 -65.6 -44.2 31.9 13.6 35.9 102 158 A A H X S+ 0 0 10 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.960 115.7 44.7 -66.2 -43.3 32.2 17.2 37.1 103 159 A V H X S+ 0 0 12 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.945 116.3 45.5 -61.9 -49.5 31.7 16.1 40.8 104 160 A Y H X S+ 0 0 1 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.832 107.7 60.0 -61.8 -35.4 34.0 13.1 40.5 105 161 A T H X S+ 0 0 40 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.926 108.5 41.8 -57.9 -50.7 36.6 15.3 38.7 106 162 A D H X S+ 0 0 97 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.882 114.7 51.7 -67.9 -37.8 37.0 17.7 41.6 107 163 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.956 111.3 47.3 -60.5 -49.4 36.9 15.0 44.2 108 164 A Y H X S+ 0 0 31 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.863 108.2 55.3 -62.2 -36.7 39.7 13.1 42.3 109 165 A Q H X S+ 0 0 102 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.926 105.4 52.9 -62.1 -42.0 41.8 16.3 42.0 110 166 A A H X S+ 0 0 23 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.895 111.0 46.8 -58.2 -40.2 41.5 16.6 45.8 111 167 A F H >X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 3,-0.5 0.940 110.1 52.9 -65.0 -46.8 42.9 13.1 46.2 112 168 A S H 3X S+ 0 0 38 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.866 104.1 57.2 -55.9 -38.6 45.7 13.8 43.6 113 169 A D H 3< S+ 0 0 82 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.867 107.0 48.1 -64.9 -34.9 46.7 16.8 45.6 114 170 A I H X< S+ 0 0 16 -4,-1.2 3,-2.2 -3,-0.5 4,-0.5 0.951 108.2 53.9 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A S H X S+ 0 0 55 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.918 109.1 50.1 -59.3 -48.1 19.9 16.9 4.9 276 332 A S H X S+ 0 0 52 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.891 110.8 49.2 -54.3 -48.1 17.6 14.6 2.9 277 333 A S H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.862 109.1 53.2 -60.1 -38.5 14.7 17.2 3.1 278 334 A L H X S+ 0 0 20 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.915 108.2 50.5 -61.9 -45.6 17.1 19.9 1.9 279 335 A E H >X S+ 0 0 132 -4,-2.2 4,-1.0 1,-0.2 3,-0.8 0.927 109.1 51.1 -56.1 -48.8 18.0 17.7 -1.1 280 336 A T H >< S+ 0 0 94 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.906 108.4 51.8 -54.9 -43.4 14.3 17.2 -1.9 281 337 A A H 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.715 115.3 42.1 -66.5 -23.1 13.8 21.0 -1.7 282 338 A K H << S+ 0 0 116 -4,-1.1 2,-0.4 -3,-0.8 -1,-0.2 0.454 98.2 94.6-100.3 -7.0 16.7 21.5 -4.2 283 339 A S << - 0 0 66 -4,-1.0 2,-0.5 -3,-0.6 -4,-0.0 -0.733 52.4-165.6 -98.4 137.9 15.9 18.6 -6.6 284 340 A F - 0 0 129 -2,-0.4 2,-0.4 0, 0.0 -3,-0.0 -0.969 18.0-140.1-125.3 111.5 13.8 18.9 -9.8 285 341 A L 0 0 183 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.610 360.0 360.0 -77.3 124.5 12.6 15.6 -11.2 286 342 A Q 0 0 236 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 -0.354 360.0 360.0 -86.3 360.0 12.9 15.8 -15.0 287 !* 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 0.0 288 47 B S > 0 0 97 0, 0.0 4,-1.9 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 -61.3 13.6 44.5 -21.9 289 48 B L H > + 0 0 39 2,-0.2 4,-3.0 3,-0.1 5,-0.1 0.771 360.0 52.8 -72.0 -35.1 14.4 41.0 -20.7 290 49 B S H > S+ 0 0 85 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.888 107.4 51.1 -68.4 -40.8 17.8 41.6 -22.2 291 50 B Q H > S+ 0 0 139 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.986 114.4 43.4 -52.9 -65.0 18.0 44.8 -20.1 292 51 B A H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.909 113.1 51.9 -43.9 -54.7 17.1 42.9 -17.0 293 52 B A H X S+ 0 0 37 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.849 110.2 46.9 -58.9 -40.7 19.4 39.9 -17.7 294 53 B T H X S+ 0 0 66 -4,-2.1 4,-2.2 -3,-0.3 -1,-0.2 0.941 113.8 47.9 -68.8 -44.1 22.5 42.1 -18.3 295 54 B K H X S+ 0 0 83 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.830 112.7 48.9 -68.1 -33.5 21.9 44.1 -15.1 296 55 B I H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.914 109.2 52.0 -68.6 -44.0 21.3 41.0 -13.1 297 56 B H H X S+ 0 0 103 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.916 111.5 48.5 -58.7 -42.5 24.5 39.4 -14.4 298 57 B Q H X S+ 0 0 80 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.931 112.1 46.6 -62.2 -52.4 26.4 42.6 -13.4 299 58 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.938 112.1 53.5 -54.1 -47.1 25.0 42.7 -9.9 300 59 B Q H X S+ 0 0 32 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.886 105.8 52.4 -55.3 -42.3 25.7 38.9 -9.6 301 60 B Q H X S+ 0 0 107 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.907 109.2 49.0 -65.0 -43.9 29.4 39.4 -10.5 302 61 B T H >X S+ 0 0 31 -4,-1.9 4,-2.0 1,-0.2 3,-0.7 0.936 111.5 49.0 -56.2 -50.7 29.9 42.1 -7.9 303 62 B L H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.753 112.3 49.4 -65.4 -25.0 28.3 39.9 -5.2 304 63 B Q H 3< S+ 0 0 97 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.701 122.2 30.3 -87.8 -16.7 30.4 36.9 -6.1 305 64 B S H << S+ 0 0 87 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.1 0.477 96.7 85.5-121.7 -7.1 33.7 38.8 -6.1 306 65 B T < - 0 0 15 -4,-2.0 -1,-0.1 -5,-0.1 -4,-0.0 -0.875 69.0-140.3-102.3 113.2 33.5 41.7 -3.6 307 66 B P - 0 0 69 0, 0.0 2,-1.9 0, 0.0 3,-0.3 -0.472 15.9-125.8 -73.5 143.6 34.4 40.6 -0.0 308 67 B P S S+ 0 0 8 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.332 74.3 118.1 -82.4 56.0 32.2 42.2 2.7 309 68 B I + 0 0 69 -2,-1.9 2,-0.3 73,-0.1 3,-0.1 0.346 66.7 31.6-110.4 3.2 35.2 43.5 4.6 310 69 B S S > S- 0 0 26 -3,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.985 78.0-110.6-151.8 158.5 34.8 47.4 4.5 311 70 B E H > S+ 0 0 160 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.908 121.2 52.2 -54.0 -42.3 32.0 50.0 4.5 312 71 B E H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.3 45.9 -60.5 -47.9 33.1 50.8 0.9 313 72 B N H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.935 113.5 49.7 -62.8 -43.1 32.8 47.1 -0.2 314 73 B N H X S+ 0 0 19 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.847 107.4 53.9 -68.1 -32.2 29.5 46.7 1.5 315 74 B D H X S+ 0 0 86 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.936 108.6 50.3 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1,-0.2 4,-0.2 44,-0.1 -1,-0.1 -0.591 42.0 172.4 -73.3 106.3 31.6 39.1 21.8 480 258 B L > + 0 0 8 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.391 47.8 102.6 -96.1 1.8 34.2 40.5 24.3 481 259 B T H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 77.5 52.8 -60.9 -40.4 34.1 37.6 26.7 482 260 B P H > S+ 0 0 6 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 110.8 47.8 -62.8 -40.9 37.4 36.0 25.6 483 261 B L H > S+ 0 0 0 -4,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.922 111.9 49.8 -58.1 -46.1 39.3 39.4 26.0 484 262 B Q H X S+ 0 0 79 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.904 110.4 50.6 -61.1 -40.6 37.7 39.8 29.5 485 263 B K H X S+ 0 0 65 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.920 107.2 53.7 -58.7 -45.6 38.8 36.3 30.3 486 264 B M H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.924 109.3 49.1 -56.0 -47.9 42.4 37.1 29.1 487 265 B V H X S+ 0 0 11 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.953 110.6 49.7 -55.9 -50.5 42.4 40.1 31.4 488 266 B Q H X S+ 0 0 126 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.903 111.5 49.5 -50.5 -43.8 41.2 37.9 34.4 489 267 B D H < S+ 0 0 57 -4,-2.7 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