==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-OCT-11 3VJ8 . COMPND 2 MOLECULE: SQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.I.LIU,W.Y.JENG,W.J.CHANG,A.H.J.WANG . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 77.9 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 . 9 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 2 1 0 0 1 2 1 0 1 3 0 2 0 1 0 2 1 0 0 0 0 0 0 0 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 35 A S 0 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.5 -6.2 -44.0 -2.2 2 36 A L - 0 0 108 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.149 360.0-105.1 -57.0 142.5 -7.4 -40.8 -0.5 3 37 A S > - 0 0 50 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.194 31.0-107.5 -62.0 159.5 -8.3 -37.8 -2.7 4 38 A S H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.922 120.1 47.2 -54.0 -48.9 -5.9 -34.9 -2.8 5 39 A S H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 110.1 51.3 -66.5 -38.4 -8.2 -32.7 -0.7 6 40 A L H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 107.3 53.8 -68.6 -36.5 -8.9 -35.4 1.9 7 41 A K H X S+ 0 0 86 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.916 108.5 50.1 -60.4 -41.5 -5.2 -35.9 2.3 8 42 A T H X S+ 0 0 28 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.915 106.9 55.3 -59.7 -43.0 -4.9 -32.1 3.0 9 43 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.914 106.3 49.7 -57.6 -42.7 -7.7 -32.3 5.5 10 44 A Y H X S+ 0 0 12 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.864 108.4 54.3 -67.6 -31.9 -5.9 -35.0 7.5 11 45 A K H X S+ 0 0 104 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.953 109.9 46.5 -64.1 -44.5 -2.7 -32.8 7.4 12 46 A Y H X S+ 0 0 33 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.856 108.6 56.7 -67.3 -32.0 -4.7 -29.9 8.9 13 47 A L H X>S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.5 0.931 107.4 47.6 -60.8 -43.1 -6.2 -32.2 11.5 14 48 A N H X5S+ 0 0 57 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.865 113.7 49.0 -66.6 -33.2 -2.7 -33.1 12.6 15 49 A Q H <5S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.820 122.3 30.9 -75.8 -30.9 -1.8 -29.4 12.7 16 50 A T H <5S+ 0 0 12 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.821 130.0 33.2-101.3 -31.6 -4.8 -28.3 14.7 17 51 A S H ><5S- 0 0 18 -4,-3.3 3,-1.9 -5,-0.3 -3,-0.2 0.561 83.8-176.1-100.9 -13.6 -5.6 -31.4 16.9 18 52 A R G ><< + 0 0 155 -4,-1.0 3,-1.8 -5,-0.5 4,-0.4 -0.226 69.7 6.2 59.3-129.5 -2.0 -32.6 17.4 19 53 A S G > S+ 0 0 61 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.754 127.2 63.6 -60.6 -21.0 -1.8 -35.9 19.3 20 54 A F G X> S+ 0 0 32 -3,-1.9 4,-1.8 1,-0.2 3,-0.7 0.724 82.0 78.9 -78.0 -17.2 -5.6 -36.2 19.3 21 55 A A H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.887 88.4 57.6 -55.4 -38.8 -5.6 -36.5 15.5 22 56 A A H <> S+ 0 0 59 -3,-0.7 4,-0.8 -4,-0.4 -1,-0.2 0.837 103.2 52.3 -62.5 -32.4 -4.5 -40.2 15.9 23 57 A V H <4 S+ 0 0 15 -3,-0.7 3,-0.4 -4,-0.4 4,-0.3 0.893 111.6 45.8 -71.4 -40.4 -7.5 -41.0 18.0 24 58 A I H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.930 109.8 55.3 -62.9 -44.2 -9.8 -39.5 15.3 25 59 A Q H 3< S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.680 101.5 59.5 -65.1 -17.4 -7.8 -41.4 12.7 26 60 A A T 3< S+ 0 0 56 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.500 77.9 119.2 -84.6 -7.7 -8.5 -44.6 14.6 27 61 A L < - 0 0 0 -3,-1.9 5,-0.3 -4,-0.3 2,-0.1 -0.341 68.8-109.8 -62.9 140.6 -12.3 -44.2 14.3 28 62 A D > - 0 0 63 3,-0.1 3,-1.6 4,-0.1 4,-0.4 -0.370 61.4 -36.3 -72.4 146.1 -14.0 -47.1 12.4 29 63 A G T > S- 0 0 54 1,-0.3 3,-1.3 2,-0.2 4,-0.5 -0.020 123.1 -4.4 53.6-139.5 -15.6 -46.8 8.9 30 64 A E T 3> S+ 0 0 110 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.611 119.5 77.4 -65.8 -15.5 -17.4 -43.7 7.8 31 65 A M H <> S+ 0 0 3 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 0.845 84.1 64.5 -67.2 -29.8 -16.9 -42.1 11.2 32 66 A R H <> S+ 0 0 99 -3,-1.3 4,-2.5 -4,-0.4 -1,-0.2 0.963 108.3 35.1 -61.0 -55.0 -13.3 -41.2 10.6 33 67 A N H > S+ 0 0 58 -4,-0.5 4,-2.6 1,-0.2 5,-0.3 0.885 117.0 55.2 -68.0 -36.7 -13.8 -38.8 7.7 34 68 A A H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.936 112.9 41.0 -62.8 -44.4 -17.0 -37.4 9.2 35 69 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.909 113.1 54.3 -72.4 -38.2 -15.4 -36.6 12.5 36 70 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.955 113.1 42.6 -55.5 -51.1 -12.2 -35.2 10.8 37 71 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.907 112.2 53.8 -65.1 -42.7 -14.3 -32.8 8.7 38 72 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.942 108.8 49.7 -56.2 -46.4 -16.5 -31.9 11.6 39 73 A Y H X S+ 0 0 54 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.905 111.9 47.6 -61.8 -40.0 -13.4 -31.0 13.7 40 74 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.906 111.5 49.3 -68.7 -40.3 -12.0 -28.8 10.9 41 75 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.917 112.6 49.1 -63.3 -41.7 -15.2 -27.0 10.2 42 76 A L H X S+ 0 0 20 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.878 108.6 53.0 -63.8 -37.5 -15.5 -26.3 14.0 43 77 A R H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.902 108.9 50.1 -65.4 -39.9 -11.9 -25.1 14.1 44 78 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.940 111.7 47.5 -63.0 -44.4 -12.7 -22.6 11.3 45 79 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.925 112.5 49.3 -63.4 -44.6 -15.8 -21.3 13.1 46 80 A D H X S+ 0 0 52 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.860 105.9 56.8 -64.1 -34.1 -13.8 -21.0 16.3 47 81 A T H X S+ 0 0 4 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.891 108.8 46.8 -67.0 -36.4 -11.0 -19.1 14.6 48 82 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 -2,-0.2 0.944 112.7 49.2 -64.9 -47.6 -13.6 -16.5 13.3 49 83 A E H 3< S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 112.9 48.3 -59.2 -40.0 -15.1 -16.2 16.8 50 84 A D H 3< S+ 0 0 45 -4,-2.7 2,-0.8 -5,-0.1 -1,-0.2 0.660 83.7 102.2 -74.5 -20.0 -11.7 -15.8 18.4 51 85 A D X< - 0 0 0 -4,-0.9 3,-1.3 -3,-0.8 8,-0.0 -0.555 47.4-172.9 -81.4 108.3 -10.3 -13.1 16.1 52 86 A M T 3 S+ 0 0 102 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.507 77.9 72.1 -82.2 0.8 -10.6 -9.8 17.8 53 87 A T T 3 S+ 0 0 91 2,-0.1 2,-0.6 26,-0.0 -1,-0.3 0.584 81.3 84.2 -85.2 -11.2 -9.5 -7.9 14.7 54 88 A I S < S- 0 0 8 -3,-1.3 5,-0.1 -6,-0.2 26,-0.0 -0.838 86.8-124.8 -93.0 120.4 -12.8 -8.7 13.1 55 89 A S > - 0 0 57 -2,-0.6 4,-2.6 1,-0.1 3,-0.2 -0.182 17.2-117.7 -59.7 155.1 -15.4 -6.1 14.1 56 90 A V H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.907 116.7 58.0 -60.9 -40.1 -18.7 -7.3 15.7 57 91 A E H 4 S+ 0 0 171 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.885 114.5 36.1 -53.3 -44.2 -20.6 -5.8 12.8 58 92 A K H > S+ 0 0 88 -3,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.792 116.1 55.5 -78.7 -33.4 -18.5 -8.0 10.4 59 93 A K H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.878 95.5 63.8 -73.8 -37.8 -18.3 -11.0 12.6 60 94 A V H X S+ 0 0 41 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.940 105.4 43.5 -56.5 -51.3 -22.1 -11.5 13.2 61 95 A P H > S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.867 112.1 55.1 -64.8 -31.4 -22.9 -12.3 9.6 62 96 A L H X S+ 0 0 24 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.938 112.8 42.1 -61.1 -45.1 -19.9 -14.5 9.3 63 97 A L H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 3,-0.4 0.913 116.6 47.8 -70.8 -43.4 -21.0 -16.6 12.3 64 98 A H H < S+ 0 0 77 -4,-2.8 3,-0.3 -5,-0.3 -1,-0.2 0.871 120.3 36.3 -62.7 -37.4 -24.7 -16.6 11.3 65 99 A N H >X S+ 0 0 76 -4,-2.3 3,-1.5 -5,-0.2 4,-1.1 0.452 85.8 102.8-100.1 0.7 -24.0 -17.6 7.7 66 100 A F H >X S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.4 4,-0.8 0.887 76.3 58.3 -53.9 -41.2 -21.0 -20.0 8.3 67 101 A H H 34 S+ 0 0 51 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.3 0.801 104.6 52.5 -60.8 -30.7 -23.1 -23.1 7.9 68 102 A S H X4 S+ 0 0 45 -3,-1.5 3,-1.7 1,-0.2 -1,-0.3 0.757 94.6 69.0 -77.4 -22.4 -24.0 -22.0 4.4 69 103 A F H X< S+ 0 0 19 -3,-1.1 3,-1.6 -4,-1.1 6,-0.3 0.764 83.9 73.9 -66.8 -23.0 -20.3 -21.4 3.4 70 104 A L T 3< S+ 0 0 0 -4,-0.8 -1,-0.3 -3,-0.4 29,-0.2 0.752 100.7 43.4 -56.6 -26.6 -20.0 -25.2 3.5 71 105 A Y T < S+ 0 0 113 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.307 93.5 87.1-104.0 9.2 -22.0 -25.3 0.3 72 106 A Q X - 0 0 95 -3,-1.6 3,-2.0 1,-0.1 23,-0.1 -0.906 66.4-156.9-114.1 100.7 -20.2 -22.4 -1.5 73 107 A P T 3 S+ 0 0 67 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 0.729 86.4 40.2 -60.7 -27.6 -17.2 -24.0 -3.2 74 108 A D T 3 S+ 0 0 130 21,-0.1 2,-0.2 2,-0.0 17,-0.1 0.381 81.9 127.4-104.3 9.8 -15.0 -21.0 -3.5 75 109 A W < + 0 0 29 -3,-2.0 2,-0.3 -6,-0.3 20,-0.2 -0.433 26.8 147.7 -69.1 132.2 -15.7 -19.4 -0.1 76 110 A R - 0 0 105 -2,-0.2 2,-0.4 15,-0.1 13,-0.2 -0.933 40.0-131.2-150.4 168.8 -12.6 -18.6 2.0 77 111 A F + 0 0 13 11,-1.9 3,-0.3 -2,-0.3 14,-0.1 -0.962 22.5 172.7-133.2 118.3 -11.6 -16.0 4.5 78 112 A M + 0 0 94 -2,-0.4 -1,-0.1 1,-0.2 11,-0.1 0.382 63.3 75.9-105.0 1.8 -8.3 -14.1 4.0 79 113 A E + 0 0 104 2,-0.0 2,-0.2 6,-0.0 -1,-0.2 0.232 63.2 119.7-104.8 15.3 -8.4 -11.5 6.7 80 114 A S - 0 0 2 -3,-0.3 -32,-0.1 5,-0.1 -33,-0.0 -0.570 40.8-170.2 -78.6 143.9 -7.7 -13.5 9.8 81 115 A K + 0 0 143 -2,-0.2 -1,-0.1 3,-0.0 2,-0.1 0.234 52.3 116.5-106.5 7.2 -4.7 -12.7 12.0 82 116 A E S > S- 0 0 61 -35,-0.1 3,-1.1 1,-0.1 -2,-0.1 -0.321 73.8-117.3 -79.4 161.0 -5.1 -15.9 14.1 83 117 A K T 3 S+ 0 0 166 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.841 110.9 48.1 -67.4 -38.0 -2.7 -18.9 14.4 84 118 A D T > S+ 0 0 24 1,-0.2 3,-1.6 -41,-0.1 4,-0.3 0.102 73.1 126.2 -89.2 25.6 -5.0 -21.6 12.9 85 119 A R T X> + 0 0 102 -3,-1.1 4,-2.5 1,-0.3 3,-1.2 0.638 48.3 83.0 -69.1 -9.5 -6.0 -19.4 9.9 86 120 A Q H 3> S+ 0 0 50 -3,-0.4 4,-2.2 1,-0.3 -1,-0.3 0.847 86.5 58.3 -60.4 -31.2 -5.0 -22.1 7.3 87 121 A V H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 7,-0.2 0.779 111.7 41.4 -69.9 -21.4 -8.4 -23.7 7.8 88 122 A L H X4 S+ 0 0 0 -3,-1.2 -11,-1.9 -4,-0.3 3,-1.2 0.847 115.1 48.4 -86.7 -41.8 -10.1 -20.4 6.8 89 123 A E H 3< S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.846 124.1 33.1 -70.8 -28.8 -7.7 -19.5 3.9 90 124 A D T >X S+ 0 0 38 -4,-2.2 3,-1.4 -5,-0.3 4,-1.1 -0.106 78.2 131.2-113.8 35.2 -8.1 -23.0 2.5 91 125 A F H <> + 0 0 0 -3,-1.2 4,-3.2 1,-0.3 5,-0.3 0.850 62.6 69.1 -58.3 -33.9 -11.7 -23.5 3.5 92 126 A P H 3> S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.853 96.6 52.4 -54.3 -33.4 -12.6 -24.7 -0.0 93 127 A T H <> S+ 0 0 28 -3,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.915 113.5 43.5 -67.4 -39.9 -10.5 -27.9 0.5 94 128 A I H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.916 113.9 49.8 -69.6 -43.2 -12.4 -28.6 3.7 95 129 A S H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.854 106.3 56.6 -69.0 -32.8 -15.8 -27.7 2.3 96 130 A L H X S+ 0 0 70 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.937 110.2 44.5 -60.0 -44.8 -15.2 -30.0 -0.8 97 131 A E H >X S+ 0 0 13 -4,-1.5 4,-0.6 1,-0.2 3,-0.6 0.893 109.9 55.7 -71.5 -34.0 -14.6 -32.9 1.5 98 132 A F H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.936 105.9 52.0 -55.1 -45.9 -17.7 -31.9 3.6 99 133 A R H 3< S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.675 104.6 58.1 -70.4 -15.2 -19.8 -32.1 0.4 100 134 A N H << S+ 0 0 101 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.544 85.9 98.6 -86.6 -11.6 -18.4 -35.6 -0.3 101 135 A L S << S- 0 0 19 -3,-1.5 5,-0.0 -4,-0.6 -3,-0.0 -0.383 91.1 -87.4 -68.4 156.3 -19.7 -36.9 3.0 102 136 A A >> - 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0 0 21 -90,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.643 67.9-144.9 -88.1 132.0 -17.7 -49.4 19.7 249 283 A Q H > S+ 0 0 102 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.889 99.5 50.8 -61.5 -43.6 -14.1 -49.4 21.0 250 284 A S H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 113.5 45.8 -63.8 -37.8 -12.8 -46.7 18.6 251 285 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.914 110.7 54.1 -68.9 -44.4 -15.7 -44.4 19.7 252 286 A F H X S+ 0 0 14 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.933 110.2 46.0 -54.6 -46.6 -15.2 -45.2 23.4 253 287 A N H X S+ 0 0 41 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.923 111.7 51.7 -66.2 -40.9 -11.5 -44.2 23.2 254 288 A F H < S+ 0 0 6 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.903 118.0 38.0 -61.0 -40.9 -12.3 -41.0 21.3 255 289 A C H X S+ 0 0 9 -4,-2.5 4,-0.8 1,-0.1 -2,-0.2 0.862 117.1 48.3 -79.4 -35.4 -14.9 -40.0 23.9 256 290 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.3 0.844 98.8 65.3 -78.7 -35.4 -13.2 -41.2 27.0 257 291 A I H X S+ 0 0 13 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.920 103.1 44.9 -59.6 -47.9 -9.7 -39.7 26.5 258 292 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 113.2 52.4 -63.9 -34.1 -10.7 -36.0 26.6 259 293 A Q H X S+ 0 0 7 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.913 109.8 46.8 -69.3 -39.4 -12.9 -36.6 29.7 260 294 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.902 111.6 52.2 -68.7 -36.2 -10.1 -38.4 31.6 261 295 A M H X S+ 0 0 47 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.900 109.8 50.7 -61.4 -39.3 -7.7 -35.5 30.7 262 296 A A H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.917 109.7 47.4 -68.5 -43.4 -10.3 -33.1 32.0 263 297 A I H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.914 112.0 51.1 -66.3 -36.4 -10.8 -34.7 35.3 264 298 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.887 110.5 50.4 -62.9 -38.7 -7.0 -35.0 35.7 265 299 A T H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 108.9 49.7 -66.3 -44.4 -6.8 -31.3 34.9 266 300 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.900 110.8 50.7 -61.0 -39.0 -9.4 -30.3 37.5 267 301 A A H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.910 111.0 48.7 -65.4 -39.1 -7.6 -32.3 40.1 268 302 A A H < S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.2 44.6 -66.1 -35.9 -4.4 -30.6 39.2 269 303 A C H >< S+ 0 0 0 -4,-2.2 3,-2.1 -5,-0.1 -1,-0.2 0.689 83.6 117.2 -79.4 -22.5 -6.0 -27.1 39.4 270 304 A Y T 3< S- 0 0 1 -4,-1.6 3,-0.1 1,-0.3 -48,-0.0 -0.251 97.0 -14.3 -61.4 127.5 -8.0 -27.7 42.7 271 305 A N T 3 S+ 0 0 64 -49,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.737 101.6 144.3 57.0 28.3 -6.9 -25.3 45.4 272 306 A N X - 0 0 46 -3,-2.1 3,-1.8 1,-0.1 4,-0.3 -0.857 43.5-163.4-110.9 111.0 -3.8 -24.5 43.3 273 307 A Q G > S+ 0 0 77 -2,-0.7 3,-1.8 1,-0.3 4,-0.2 0.728 83.6 79.2 -60.0 -22.5 -2.4 -21.0 43.3 274 308 A Q G >> S+ 0 0 87 1,-0.3 3,-1.2 2,-0.2 4,-1.2 0.691 74.8 73.3 -64.7 -17.7 -0.5 -21.8 40.2 275 309 A V G <4 S+ 0 0 3 -3,-1.8 -88,-0.6 1,-0.2 -1,-0.3 0.860 98.4 49.9 -57.6 -32.3 -3.7 -21.3 38.1 276 310 A F G <4 S+ 0 0 8 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.454 111.3 47.1 -90.9 4.0 -3.1 -17.6 38.7 277 311 A K T <4 S- 0 0 108 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.452 116.2-103.2-123.1 -9.0 0.5 -17.6 37.7 278 312 A G S < S+ 0 0 45 -4,-1.2 2,-0.7 -3,-0.2 -90,-0.2 -0.150 85.2 89.0 131.7 -38.9 0.2 -19.5 34.4 279 313 A A + 0 0 64 -5,-0.4 2,-0.5 -92,-0.0 -4,-0.1 -0.545 33.2 125.1-118.7 65.8 1.3 -23.1 34.5 280 314 A V + 0 0 11 -2,-0.7 2,-0.3 -96,-0.3 -11,-0.1 -0.961 36.7 138.8-110.6 112.2 -1.2 -25.9 35.4 281 315 A K - 0 0 112 -2,-0.5 2,-0.8 -13,-0.1 -2,-0.0 -0.990 57.9-118.1-148.1 148.7 -1.2 -28.5 32.7 282 316 A I - 0 0 24 -2,-0.3 -17,-0.1 -21,-0.0 -2,-0.0 -0.877 45.7-143.3 -85.2 113.3 -1.4 -32.2 32.3 283 317 A R > - 0 0 143 -2,-0.8 4,-2.2 1,-0.1 3,-0.4 -0.228 22.3 -97.0 -81.0 169.1 1.9 -32.8 30.5 284 318 A K H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.809 117.2 59.8 -64.0 -36.0 2.6 -35.4 27.8 285 319 A G H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.937 112.8 38.7 -53.2 -53.9 4.0 -38.1 30.0 286 320 A Q H > S+ 0 0 73 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.859 113.6 56.7 -64.2 -38.1 0.8 -38.3 32.1 287 321 A A H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.907 104.4 52.4 -62.1 -41.0 -1.3 -37.9 29.1 288 322 A V H X S+ 0 0 75 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.933 110.2 48.5 -61.2 -44.8 0.3 -40.9 27.4 289 323 A T H X S+ 0 0 78 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.925 112.0 48.2 -59.0 -48.5 -0.4 -43.1 30.5 290 324 A L H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 109.7 53.0 -61.4 -43.3 -4.0 -41.9 30.7 291 325 A M H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.927 110.5 47.7 -54.7 -48.6 -4.6 -42.6 26.9 292 326 A M H < S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 118.2 40.1 -61.4 -37.6 -3.3 -46.2 27.3 293 327 A D H < S+ 0 0 88 -4,-1.9 2,-2.1 1,-0.2 3,-0.4 0.764 94.0 80.1 -89.1 -26.1 -5.4 -47.0 30.3 294 328 A A < + 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -38,-0.2 -0.320 59.0 109.6 -86.2 57.6 -8.7 -45.3 29.4 295 329 A T S S+ 0 0 49 -2,-2.1 2,-0.3 -3,-0.1 -1,-0.2 0.321 72.9 35.0-117.0 4.2 -10.0 -48.0 27.1 296 330 A N S > S- 0 0 75 -3,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.984 80.6-109.9-155.3 160.5 -12.9 -49.6 29.1 297 331 A M H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.919 112.9 51.6 -66.9 -42.3 -15.5 -48.4 31.5 298 332 A P H > S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.933 113.0 47.5 -61.4 -36.5 -14.2 -50.0 34.7 299 333 A A H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 111.8 49.5 -68.8 -41.0 -10.8 -48.4 34.1 300 334 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.926 111.0 49.2 -62.5 -44.7 -12.3 -45.0 33.4 301 335 A K H X S+ 0 0 71 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.925 109.6 53.1 -60.5 -41.1 -14.4 -45.1 36.5 302 336 A A H X S+ 0 0 58 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.915 109.6 48.1 -60.6 -42.4 -11.3 -46.1 38.5 303 337 A I H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.927 112.0 49.3 -61.9 -47.3 -9.4 -43.1 37.1 304 338 A I H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.941 111.7 48.1 -59.0 -47.1 -12.3 -40.8 37.9 305 339 A Y H X S+ 0 0 41 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.872 109.4 54.1 -62.9 -37.0 -12.5 -42.1 41.5 306 340 A Q H X S+ 0 0 99 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.941 111.3 43.8 -62.1 -48.2 -8.8 -41.7 42.0 307 341 A Y H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.864 111.9 53.8 -68.8 -32.6 -8.8 -38.1 40.9 308 342 A M H X S+ 0 0 4 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.890 107.4 51.0 -67.2 -37.1 -11.9 -37.4 43.0 309 343 A E H X S+ 0 0 103 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.884 106.7 55.3 -64.9 -39.4 -10.1 -38.8 46.1 310 344 A E H < S+ 0 0 76 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.956 113.1 41.3 -56.6 -49.2 -7.2 -36.6 45.4 311 345 A I H >X S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-0.6 0.951 111.2 56.9 -63.3 -47.4 -9.5 -33.5 45.4 312 346 A Y H >< S+ 0 0 78 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.879 107.6 46.5 -52.7 -44.8 -11.5 -34.8 48.4 313 347 A H T 3< S+ 0 0 125 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.519 110.9 53.9 -84.2 -0.5 -8.5 -35.1 50.7 314 348 A R T <4 S+ 0 0 94 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.434 76.9 120.7-103.9 -2.8 -7.2 -31.6 49.6 315 349 A I << - 0 0 17 -3,-1.1 2,-0.3 -4,-0.6 3,-0.0 -0.433 61.2-134.0 -68.7 123.7 -10.4 -29.7 50.5 316 350 A P > - 0 0 34 0, 0.0 3,-1.6 0, 0.0 6,-0.2 -0.651 6.9-135.1 -77.7 135.6 -9.7 -27.0 53.1 317 351 A D T 3 S+ 0 0 137 -2,-0.3 6,-0.1 1,-0.3 5,-0.1 0.869 105.6 53.0 -51.1 -38.3 -12.2 -26.9 55.9 318 352 A S T 3 S+ 0 0 108 4,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.504 79.2 116.9 -79.9 -7.2 -12.3 -23.1 55.6 319 353 A D X - 0 0 8 -3,-1.6 3,-1.9 1,-0.2 4,-0.3 -0.441 69.0-133.0 -66.7 132.9 -13.1 -23.1 51.9 320 354 A P T 3 S+ 0 0 67 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.762 106.9 43.5 -57.2 -25.9 -16.5 -21.5 51.2 321 355 A S T 3> S+ 0 0 2 1,-0.1 4,-2.6 -98,-0.1 3,-0.3 0.403 79.2 110.7 -99.3 3.2 -17.4 -24.4 48.9 322 356 A S H <> S+ 0 0 17 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.841 78.5 48.0 -51.8 -46.2 -16.1 -27.2 51.1 323 357 A S H > S+ 0 0 91 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.928 114.8 46.1 -59.0 -48.0 -19.5 -28.7 51.9 324 358 A K H > S+ 0 0 108 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.875 111.0 52.3 -63.2 -40.6 -20.6 -28.6 48.3 325 359 A T H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.934 111.1 47.3 -63.3 -45.7 -17.3 -30.1 47.0 326 360 A R H X S+ 0 0 70 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.889 111.4 52.9 -61.3 -38.2 -17.7 -33.0 49.5 327 361 A Q H X S+ 0 0 125 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.924 109.3 44.8 -67.0 -46.6 -21.3 -33.5 48.5 328 362 A I H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.917 112.2 52.9 -66.8 -37.6 -20.8 -33.8 44.7 329 363 A I H X S+ 0 0 9 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.902 106.6 53.7 -63.6 -38.4 -17.8 -36.1 45.2 330 364 A S H X S+ 0 0 61 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.878 109.5 48.7 -57.5 -43.7 -20.0 -38.4 47.4 331 365 A T H X S+ 0 0 76 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.941 110.9 49.0 -62.7 -49.7 -22.6 -38.6 44.6 332 366 A I H < S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.901 112.3 48.7 -56.5 -43.2 -19.9 -39.4 42.0 333 367 A R H < S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 112.3 49.7 -69.2 -30.0 -18.5 -42.2 44.2 334 368 A T H < 0 0 122 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.661 360.0 360.0 -84.8 -20.4 -21.9 -43.6 44.9 335 369 A Q < 0 0 97 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.1 0.817 360.0 360.0 -58.8 360.0 -23.3 -43.9 41.3