==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-09 3ICK . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR L.M.AMZEL,C.H.HUANG,S.B.GABELLI,E.OLDFIELD . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 79.0 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 . 5 1.4 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 . 1 0.3 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 3 0 0 0 1 2 0 1 0 1 1 2 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 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 . 1 1 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 . 1 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 1 A M > 0 0 160 0, 0.0 4,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.9 8.6 -7.6 154.2 2 2 A A T 4 + 0 0 64 1,-0.2 4,-0.3 2,-0.2 0, 0.0 0.459 360.0 49.2 -82.0 -2.2 11.3 -9.5 156.3 3 3 A S T > S+ 0 0 19 2,-0.1 4,-2.0 3,-0.1 -1,-0.2 0.753 104.8 58.9-100.9 -38.5 14.2 -7.1 155.7 4 4 A M H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.848 105.5 50.6 -41.8 -51.6 12.1 -4.0 156.7 5 5 A E H X S+ 0 0 126 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.863 109.0 50.4 -60.6 -41.1 11.5 -5.7 160.1 6 6 A R H > S+ 0 0 151 -4,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.845 112.3 47.5 -67.9 -36.3 15.2 -6.3 160.6 7 7 A F H >X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 3,-0.6 0.940 112.3 50.1 -65.6 -50.3 15.9 -2.6 159.8 8 8 A L H 3X S+ 0 0 34 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.722 102.9 60.3 -61.4 -26.5 13.2 -1.5 162.2 9 9 A S H 3X S+ 0 0 57 -4,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.877 100.8 54.1 -72.1 -34.7 14.6 -3.7 164.9 10 10 A V H S+ 0 0 45 -4,-2.4 4,-3.1 -5,-0.2 5,-0.6 0.831 106.3 52.7 -62.9 -37.4 20.9 8.0 177.6 22 22 A L H X5S+ 0 0 27 -4,-1.4 6,-1.7 2,-0.2 4,-1.4 0.928 112.7 44.0 -64.1 -45.2 18.6 10.9 178.1 23 23 A Q H <5S+ 0 0 92 -4,-2.0 4,-0.4 4,-0.2 -2,-0.2 0.942 123.4 37.4 -66.5 -41.4 17.3 9.5 181.4 24 24 A S H <5S+ 0 0 88 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.721 132.9 17.7 -92.6 -22.4 20.8 8.6 182.6 25 25 A K H <5S+ 0 0 157 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.540 128.4 43.9-117.6 -7.8 23.1 11.5 181.4 26 26 A Y S < - 0 0 52 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.538 29.3-105.6 -82.2 158.7 11.8 13.0 183.4 30 30 A P H > S+ 0 0 89 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.841 117.0 55.7 -56.2 -38.7 9.6 10.2 182.0 31 31 A N H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.862 111.6 42.2 -62.7 -41.0 7.0 12.6 180.4 32 32 A R H > S+ 0 0 158 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.839 115.0 52.6 -69.3 -33.0 9.6 14.5 178.4 33 33 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.954 110.1 47.2 -66.6 -47.3 11.1 11.1 177.6 34 34 A R H X S+ 0 0 138 -4,-3.5 4,-2.7 2,-0.2 5,-0.3 0.941 108.7 55.2 -55.3 -51.5 7.7 9.9 176.4 35 35 A Y H X S+ 0 0 57 -4,-2.3 4,-3.1 1,-0.3 -1,-0.2 0.914 110.0 46.6 -49.9 -48.8 7.2 13.1 174.3 36 36 A L H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 -1,-0.3 0.807 108.2 54.6 -68.4 -30.3 10.5 12.4 172.6 37 37 A R H X S+ 0 0 95 -4,-2.1 4,-3.0 -3,-0.2 -2,-0.2 0.931 113.8 42.7 -63.6 -44.5 9.7 8.7 171.9 38 38 A I H X S+ 0 0 39 -4,-2.7 4,-3.7 2,-0.2 5,-0.3 0.939 113.5 51.3 -66.2 -46.3 6.4 9.8 170.2 39 39 A M H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.3 5,-0.3 0.923 113.9 45.8 -54.2 -44.6 8.3 12.7 168.4 40 40 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.955 116.0 44.5 -65.6 -47.7 10.8 10.1 167.2 41 41 A D H X S+ 0 0 45 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.948 116.5 47.0 -58.1 -47.3 8.1 7.5 166.2 42 42 A T H < S+ 0 0 33 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 122.7 32.0 -67.1 -37.9 6.0 10.2 164.5 43 43 A T H < S+ 0 0 10 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.729 125.7 40.2 -94.7 -22.1 8.8 11.8 162.5 44 44 A C H < S+ 0 0 0 -4,-2.7 3,-0.3 -5,-0.3 2,-0.2 0.711 109.0 59.9 -96.6 -21.4 11.1 8.8 161.9 45 45 A L S < S+ 0 0 42 -4,-1.8 3,-0.1 -5,-0.4 -4,-0.0 -0.622 77.4 46.0-110.2 163.6 8.5 6.1 161.1 46 46 A G S S+ 0 0 55 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.511 81.8 114.4 89.4 5.7 5.7 5.3 158.7 47 47 A G S S- 0 0 19 -3,-0.3 -1,-0.3 1,-0.0 -3,-0.0 -0.276 86.4 -94.5 -90.8-174.0 7.7 6.3 155.5 48 48 A K - 0 0 95 -2,-0.1 -3,-0.0 -3,-0.1 -1,-0.0 0.658 44.1-142.5 -73.2 -17.9 8.8 4.0 152.7 49 49 A Y > + 0 0 23 1,-0.1 4,-2.9 3,-0.1 5,-0.3 0.640 55.7 137.1 56.2 24.1 12.3 3.6 154.4 50 50 A F H > + 0 0 12 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.856 62.5 54.7 -73.9 -27.7 13.9 3.6 151.0 51 51 A R H > S+ 0 0 14 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.971 118.0 34.8 -63.3 -50.3 16.8 5.9 152.0 52 52 A G H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.917 116.3 52.9 -71.1 -45.5 17.9 3.6 154.9 53 53 A M H 3X S+ 0 0 19 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.865 101.9 63.5 -53.8 -38.1 17.0 0.4 153.2 54 54 A T H 3X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.876 100.5 50.6 -55.6 -39.5 19.1 1.6 150.2 55 55 A V H < S+ 0 0 14 -4,-2.2 3,-0.7 -3,-0.3 4,-0.4 0.942 107.1 40.6 -55.5 -55.2 25.5 -6.5 147.7 62 62 A F H >< S+ 0 0 20 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.844 110.9 60.6 -69.8 -23.3 29.1 -6.3 148.6 63 63 A L H >< S+ 0 0 16 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.769 98.1 57.3 -72.0 -24.7 28.6 -9.1 151.2 64 64 A A T << S+ 0 0 87 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.586 113.5 38.3 -80.4 -12.6 27.4 -11.6 148.6 65 65 A V T < S+ 0 0 85 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.2 0.136 108.3 70.1-125.0 12.3 30.6 -11.4 146.5 66 66 A T S < S- 0 0 65 -3,-0.6 2,-0.5 -4,-0.1 0, 0.0 -0.946 79.4-117.3-133.3 147.7 33.2 -11.1 149.3 67 67 A Q + 0 0 172 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.1 -0.795 44.9 156.9 -85.3 129.5 34.4 -13.6 151.9 68 68 A H - 0 0 58 -2,-0.5 2,-0.1 -5,-0.1 -2,-0.0 -0.990 44.3-104.4-147.1 151.7 33.7 -12.7 155.5 69 69 A D > - 0 0 122 -2,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.445 43.0-108.6 -64.0 150.0 33.4 -14.3 158.9 70 70 A E H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.734 119.1 55.3 -52.7 -26.3 29.8 -14.6 160.1 71 71 A A H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.870 105.8 49.2 -81.0 -40.0 30.4 -11.9 162.7 72 72 A T H > S+ 0 0 44 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.879 107.5 55.5 -60.7 -45.4 31.7 -9.4 160.2 73 73 A K H X S+ 0 0 39 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.965 113.4 43.7 -46.9 -53.1 28.6 -10.1 158.0 74 74 A E H X S+ 0 0 119 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.909 114.5 46.9 -62.3 -50.4 26.6 -9.2 161.2 75 75 A R H X S+ 0 0 73 -4,-3.0 4,-3.9 2,-0.2 5,-0.2 0.964 112.9 49.4 -55.4 -57.9 28.6 -6.2 162.1 76 76 A I H X S+ 0 0 8 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.873 113.0 46.9 -49.2 -48.1 28.5 -4.8 158.6 77 77 A L H X S+ 0 0 58 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.911 113.2 49.4 -64.0 -41.7 24.7 -5.3 158.3 78 78 A H H X S+ 0 0 50 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.962 112.4 47.2 -61.6 -50.7 24.3 -3.7 161.7 79 79 A D H X S+ 0 0 0 -4,-3.9 4,-2.6 1,-0.2 -2,-0.2 0.859 110.3 53.9 -53.1 -41.0 26.5 -0.7 160.7 80 80 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.901 109.9 47.5 -61.5 -40.4 24.5 -0.5 157.4 81 81 A C H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.827 112.5 47.1 -71.7 -39.1 21.2 -0.2 159.4 82 82 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.903 113.3 49.7 -68.3 -42.5 22.6 2.4 161.8 83 83 A G H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.953 109.7 52.6 -57.8 -50.2 23.9 4.3 158.8 84 84 A G H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.882 108.0 50.5 -48.8 -46.2 20.5 3.9 157.2 85 85 A W H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 5,-0.3 0.845 102.2 61.0 -67.4 -33.5 18.8 5.4 160.3 86 86 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.918 109.0 43.1 -54.5 -45.0 21.2 8.3 160.3 87 87 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.878 113.6 50.6 -72.0 -38.5 19.8 9.3 156.9 88 88 A E H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.897 113.6 45.9 -65.0 -37.9 16.2 8.6 158.0 89 89 A F H X S+ 0 0 0 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.867 111.0 53.2 -70.5 -34.5 16.8 10.8 161.1 90 90 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.872 112.3 45.0 -65.2 -35.5 18.4 13.3 158.8 91 91 A Q H X S+ 0 0 10 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.926 107.8 56.2 -72.8 -45.8 15.3 13.2 156.7 92 92 A A H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.913 108.0 50.8 -46.0 -53.1 12.9 13.4 159.7 93 93 A H H X S+ 0 0 12 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.885 112.0 45.9 -46.5 -51.3 14.7 16.6 160.7 94 94 A Y H X S+ 0 0 18 -4,-1.4 4,-3.0 1,-0.2 -2,-0.2 0.891 112.5 49.6 -70.9 -35.1 14.3 18.1 157.2 95 95 A L H X S+ 0 0 15 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.838 106.7 55.7 -73.2 -33.0 10.6 17.1 156.9 96 96 A V H X S+ 0 0 7 -4,-2.2 4,-1.1 -5,-0.3 18,-0.2 0.967 116.8 36.1 -62.3 -49.1 9.7 18.6 160.3 97 97 A E H X S+ 0 0 31 -4,-1.7 4,-2.8 1,-0.2 3,-0.4 0.920 115.6 55.2 -67.8 -45.6 11.1 22.0 159.3 98 98 A D H X S+ 0 0 22 -4,-3.0 4,-2.8 1,-0.3 6,-0.2 0.868 103.5 54.5 -57.2 -41.8 9.9 21.7 155.7 99 99 A D H X>S+ 0 0 6 -4,-2.4 5,-1.9 2,-0.2 4,-0.9 0.865 111.8 46.3 -64.0 -34.2 6.3 21.1 156.8 100 100 A I H ><5S+ 0 0 39 -4,-1.1 3,-0.5 -3,-0.4 -2,-0.2 0.943 114.9 45.1 -65.9 -52.2 6.6 24.3 158.7 101 101 A M H 3<5S+ 0 0 86 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.812 118.4 43.7 -62.5 -30.1 8.2 26.3 155.9 102 102 A D H 3<5S- 0 0 16 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.605 105.5-123.5 -96.6 -12.7 5.7 24.9 153.3 103 103 A G T <<5 + 0 0 40 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.795 48.3 176.1 74.3 30.7 2.6 25.3 155.4 104 104 A S < - 0 0 12 -5,-1.9 -1,-0.1 -6,-0.2 8,-0.1 -0.208 27.7-162.5 -74.1 164.1 1.7 21.6 155.1 105 105 A V + 0 0 56 160,-0.3 7,-1.8 1,-0.3 2,-0.3 0.798 65.6 17.2-116.7 -44.1 -1.2 19.8 156.7 106 106 A M E +A 111 0A 54 5,-0.3 159,-0.5 159,-0.2 -1,-0.3 -0.901 49.5 179.1-134.4 157.6 -0.5 16.0 156.6 107 107 A R E > S+A 110 0A 43 3,-3.2 3,-1.8 -2,-0.3 157,-0.2 -0.918 77.3 3.4-160.1 138.8 2.4 13.6 156.1 108 108 A R T 3 S- 0 0 67 154,-0.3 156,-0.2 -2,-0.3 155,-0.1 0.863 130.7 -61.0 48.9 39.7 2.4 9.8 156.2 109 109 A G T 3 S+ 0 0 50 154,-2.6 -1,-0.2 1,-0.2 155,-0.1 0.496 122.2 91.7 73.3 2.1 -1.4 10.0 156.7 110 110 A K E < S-A 107 0A 124 -3,-1.8 -3,-3.2 153,-0.3 -1,-0.2 -0.838 89.8 -84.2-118.1 159.0 -1.1 11.9 160.0 111 111 A P E -A 106 0A 49 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.288 59.7 -91.1 -58.4 151.7 -1.0 15.7 160.7 112 112 A C >> - 0 0 2 -7,-1.8 3,-2.3 1,-0.1 4,-0.6 -0.391 44.6-104.6 -63.0 144.5 2.5 17.2 160.3 113 113 A W G >4 S+ 0 0 14 1,-0.3 3,-1.6 2,-0.2 7,-0.3 0.830 119.4 51.9 -40.1 -48.2 4.3 17.1 163.6 114 114 A Y G 34 S+ 0 0 36 1,-0.3 6,-0.7 -18,-0.2 -1,-0.3 0.721 102.3 60.3 -71.6 -17.7 3.9 20.8 164.3 115 115 A R G <4 S+ 0 0 108 -3,-2.3 -1,-0.3 5,-0.1 -2,-0.2 0.600 76.8 113.7 -84.9 -8.3 0.2 20.6 163.7 116 116 A F S XX S- 0 0 51 -3,-1.6 3,-1.3 -4,-0.6 4,-1.1 -0.316 76.8-124.2 -56.2 145.7 -0.1 18.1 166.6 117 117 A P T 34 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.917 108.1 43.0 -69.3 -37.6 -2.1 19.8 169.4 118 118 A G T 34 S+ 0 0 65 1,-0.1 -2,-0.1 2,-0.0 -3,-0.1 0.304 116.0 51.3 -86.8 8.1 0.5 19.3 172.1 119 119 A V T <> S+ 0 0 5 -3,-1.3 4,-0.7 -6,-0.1 -5,-0.1 0.814 70.7 171.4-107.1 -72.7 3.4 20.2 169.8 120 120 A T H X - 0 0 66 -4,-1.1 4,-2.6 -6,-0.7 3,-0.2 0.207 54.1 -72.3 70.2 161.7 3.1 23.6 167.9 121 121 A T H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.891 126.4 58.5 -51.4 -51.7 5.6 25.5 165.8 122 122 A Q H > S+ 0 0 168 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.887 115.3 35.7 -54.6 -43.7 7.8 26.6 168.8 123 123 A C H X S+ 0 0 45 -4,-0.7 4,-2.4 -3,-0.2 -1,-0.2 0.852 112.9 59.5 -74.4 -38.2 8.4 23.1 169.9 124 124 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.889 98.3 57.4 -62.1 -42.1 8.6 21.6 166.4 125 125 A I H X S+ 0 0 78 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.926 114.8 39.4 -51.9 -46.6 11.5 23.8 165.3 126 126 A N H X S+ 0 0 88 -4,-0.8 4,-2.5 -5,-0.2 -2,-0.2 0.806 110.1 56.5 -74.9 -32.8 13.5 22.4 168.2 127 127 A D H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.924 107.2 54.2 -63.2 -36.9 12.3 18.9 167.9 128 128 A G H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.930 107.2 47.4 -59.3 -48.2 13.6 19.2 164.4 129 129 A I H X S+ 0 0 80 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.856 108.9 55.7 -65.1 -37.7 17.0 20.3 165.7 130 130 A I H X S+ 0 0 41 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.933 103.2 56.5 -54.9 -43.9 17.0 17.3 168.2 131 131 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.879 107.5 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261 A Q H <4 S+ 0 0 115 -3,-1.6 -1,-0.2 1,-0.1 100,-0.1 0.868 122.5 46.0 -82.8 -41.0 -3.0 7.5 148.4 262 262 A L H < S- 0 0 16 -4,-2.4 -154,-0.3 2,-0.2 -2,-0.2 0.801 93.3-140.7 -71.7 -30.9 -0.3 10.1 148.9 263 263 A G S < S+ 0 0 16 -4,-2.8 -154,-2.6 -5,-0.2 2,-0.3 0.388 77.9 65.7 75.4 -4.0 -0.5 10.4 152.7 264 264 A K S S- 0 0 41 -157,-0.2 2,-0.5 -5,-0.2 -1,-0.2 -0.945 81.5-117.4-139.6 162.1 0.0 14.2 152.3 265 265 A V - 0 0 50 -159,-0.5 -160,-0.3 -2,-0.3 -159,-0.2 -0.914 34.3-111.4-105.8 130.3 -1.8 17.1 150.9 266 266 A G + 0 0 18 -2,-0.5 4,-0.1 -12,-0.4 -11,-0.1 -0.155 39.1 163.1 -53.4 141.6 -0.4 19.2 148.0 267 267 A T > + 0 0 15 2,-0.1 4,-2.5 3,-0.0 6,-0.2 0.337 44.5 102.7-137.4 2.9 0.7 22.8 148.6 268 268 A D H >>S+ 0 0 16 2,-0.2 5,-2.6 1,-0.2 4,-0.5 0.857 83.9 48.5 -64.1 -39.5 3.0 23.6 145.6 269 269 A I H >45S+ 0 0 7 2,-0.2 3,-1.8 3,-0.2 29,-1.2 0.989 115.6 43.5 -63.8 -58.1 0.4 25.7 143.7 270 270 A E H 345S+ 0 0 48 1,-0.3 -2,-0.2 28,-0.2 -1,-0.2 0.857 114.7 51.2 -45.3 -47.4 -0.6 27.8 146.8 271 271 A D H 3<5S- 0 0 28 -4,-2.5 -1,-0.3 28,-0.1 -2,-0.2 0.502 108.4-124.8 -78.2 -5.9 3.1 28.1 147.8 272 272 A A T <<5 - 0 0 4 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.759 44.6-175.5 64.7 31.4 4.0 29.4 144.3 273 273 A K < - 0 0 8 -5,-2.6 2,-2.2 -6,-0.2 -1,-0.2 -0.179 36.6-123.4 -63.0 142.4 6.6 26.6 144.1 274 274 A C + 0 0 7 -104,-0.3 -1,-0.1 4,-0.1 2,-0.1 -0.524 56.1 170.2 -78.4 73.9 8.9 26.3 141.1 275 275 A S > - 0 0 6 -2,-2.2 4,-2.6 -7,-0.1 5,-0.3 -0.410 50.6-108.9 -94.0 163.5 7.6 22.8 140.6 276 276 A W H > S+ 0 0 19 1,-0.2 4,-2.4 -29,-0.2 5,-0.2 0.862 119.1 52.5 -57.3 -35.7 8.2 20.5 137.6 277 277 A L H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.912 110.5 47.3 -66.0 -45.0 4.5 20.9 136.5 278 278 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.913 114.4 45.3 -64.3 -47.4 4.8 24.7 136.5 279 279 A V H X S+ 0 0 8 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.922 115.7 46.0 -65.7 -43.8 8.1 24.8 134.6 280 280 A T H X S+ 0 0 24 -4,-2.4 4,-0.7 -5,-0.3 -2,-0.2 0.948 112.9 51.7 -64.6 -46.2 6.9 22.2 132.1 281 281 A F H >X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 3,-1.4 0.921 109.6 48.1 -49.6 -53.1 3.6 24.1 131.7 282 282 A L H 3< S+ 0 0 36 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 106.9 61.1 -64.5 -25.4 5.4 27.4 131.1 283 283 A G H 3< S+ 0 0 70 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.642 119.7 19.8 -72.8 -15.8 7.5 25.5 128.6 284 284 A K H << S+ 0 0 87 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.1 0.611 95.2 106.5-129.8 -12.4 4.6 24.5 126.3 285 285 A A < - 0 0 19 -4,-2.3 2,-0.1 -5,-0.2 30,-0.0 -0.204 62.9-117.8 -73.7 157.3 1.6 26.8 127.0 286 286 A N > - 0 0 91 1,-0.1 4,-2.9 4,-0.0 3,-0.4 -0.413 37.0 -90.1 -87.3 169.5 0.4 29.6 124.7 287 287 A A H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.814 127.8 45.6 -44.4 -43.3 0.2 33.3 125.4 288 288 A A H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.837 112.3 50.1 -78.2 -33.7 -3.4 33.0 126.8 289 289 A Q H > S+ 0 0 33 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.918 111.0 50.6 -64.3 -43.4 -2.5 29.9 129.0 290 290 A V H X S+ 0 0 33 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.963 111.8 46.3 -59.8 -54.9 0.5 31.7 130.4 291 291 A A H X S+ 0 0 59 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.872 111.3 51.9 -56.6 -38.5 -1.5 34.9 131.3 292 292 A E H < S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.5 48.1 -67.4 -37.1 -4.3 32.8 132.9 293 293 A F H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-1.7 0.883 106.1 56.3 -64.4 -46.4 -1.6 30.9 135.0 294 294 A K H 3< S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.849 108.1 50.0 -57.2 -36.7 0.1 34.2 136.1 295 295 A A T 3< S+ 0 0 68 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.301 120.0 33.7 -84.1 5.9 -3.3 35.4 137.5 296 296 A N T X4 S+ 0 0 29 -3,-1.7 3,-0.5 -5,-0.1 -2,-0.2 0.616 91.9 99.6-131.4 -20.7 -4.1 32.2 139.5 297 297 A Y T 3< S+ 0 0 6 -4,-2.2 -27,-0.1 1,-0.2 3,-0.1 -0.434 78.1 25.1 -78.1 139.3 -0.8 30.8 140.7 298 298 A G T 3 S+ 0 0 20 -29,-1.2 2,-0.3 1,-0.2 -28,-0.2 0.765 90.8 113.8 83.8 31.9 0.6 31.3 144.3 299 299 A D < - 0 0 65 -3,-0.5 -1,-0.2 2,-0.2 6,-0.1 -0.999 63.8-139.6-138.2 137.7 -2.8 31.8 146.1 300 300 A K + 0 0 141 -2,-0.3 -30,-0.1 -30,-0.2 -1,-0.1 0.748 65.9 122.1 -69.2 -24.2 -4.6 29.7 148.7 301 301 A D > - 0 0 68 1,-0.2 4,-2.3 -31,-0.1 5,-0.2 -0.172 61.0-145.1 -41.8 114.8 -7.9 30.4 147.1 302 302 A P H > S+ 0 0 105 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.652 98.5 53.2 -62.0 -21.0 -9.4 26.9 146.2 303 303 A A H > S+ 0 0 62 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.860 107.8 46.3 -87.5 -44.6 -10.9 28.4 143.0 304 304 A K H > S+ 0 0 74 2,-0.2 4,-2.1 -3,-0.2 5,-0.1 0.887 115.1 49.9 -59.3 -40.6 -7.6 30.0 141.7 305 305 A V H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 105.7 55.9 -64.7 -45.6 -5.9 26.6 142.5 306 306 A A H X S+ 0 0 55 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.866 107.6 51.2 -46.9 -44.3 -8.8 24.8 140.6 307 307 A V H X S+ 0 0 27 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.958 107.7 48.7 -63.0 -56.1 -7.9 26.9 137.6 308 308 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.904 112.7 50.9 -51.1 -41.9 -4.1 26.1 137.7 309 309 A K H X S+ 0 0 75 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.943 110.7 47.5 -60.1 -49.0 -5.1 22.4 137.9 310 310 A R H X S+ 0 0 103 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.849 111.9 51.1 -57.4 -42.3 -7.5 22.8 134.9 311 311 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.928 109.0 50.6 -59.5 -50.2 -4.6 24.6 133.0 312 312 A Y H <>S+ 0 0 2 -4,-2.8 5,-1.2 2,-0.2 4,-0.2 0.903 113.0 46.0 -53.3 -46.3 -2.2 21.7 133.9 313 313 A S H ><5S+ 0 0 75 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.956 111.8 51.2 -61.9 -53.0 -4.8 19.1 132.6 314 314 A E H 3<5S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.894 104.3 58.3 -43.2 -50.5 -5.5 21.2 129.4 315 315 A A T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.525 105.5-132.4 -71.1 -4.9 -1.8 21.4 128.7 316 316 A N T X>5 + 0 0 95 -3,-1.9 3,-1.5 -4,-0.2 4,-0.7 0.939 36.1 175.8 59.6 51.6 -1.7 17.6 128.7 317 317 A L H 3>< + 0 0 4 -5,-1.2 4,-1.7 1,-0.3 -1,-0.1 0.646 64.9 73.5 -74.4 -13.0 1.3 17.5 131.0 318 318 A Q H 3> S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.763 91.6 58.0 -68.2 -25.3 1.3 13.6 131.2 319 319 A A H <> S+ 0 0 50 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.959 106.2 48.8 -62.4 -48.1 2.7 13.5 127.6 320 320 A D H X S+ 0 0 45 -4,-0.7 4,-2.7 1,-0.2 -2,-0.2 0.870 109.4 52.5 -59.6 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-55.2 17.8 5.9 128.8 331 331 A E H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.845 115.4 50.8 -71.8 -36.2 20.4 7.7 130.9 332 332 A V H X S+ 0 0 0 -4,-3.5 4,-2.3 2,-0.2 5,-0.2 0.940 111.7 47.3 -65.5 -46.9 20.0 5.6 134.1 333 333 A E H X S+ 0 0 119 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.856 113.0 52.5 -61.1 -33.8 20.4 2.3 132.1 334 334 A S H X S+ 0 0 63 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.928 110.4 44.4 -64.7 -49.9 23.4 3.9 130.5 335 335 A L H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.764 113.5 51.7 -67.8 -30.7 25.0 4.9 133.8 336 336 A I H X S+ 0 0 14 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.865 107.7 52.6 -74.0 -42.1 24.2 1.5 135.2 337 337 A E H < S+ 0 0 111 -4,-2.2 3,-0.4 -5,-0.2 4,-0.3 0.923 110.9 47.2 -53.3 -46.0 25.9 -0.1 132.2 338 338 A Q H >X S+ 0 0 108 -4,-2.1 3,-1.7 1,-0.2 4,-0.5 0.896 106.7 57.1 -65.5 -39.6 28.9 2.1 132.8 339 339 A L H 3X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.3 3,-0.2 0.788 93.9 70.5 -62.6 -26.8 28.9 1.1 136.5 340 340 A K H 3< S+ 0 0 104 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.711 84.5 70.5 -60.5 -20.9 29.1 -2.6 135.4 341 341 A V H <4 S+ 0 0 120 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.976 118.1 12.9 -71.2 -53.2 32.7 -2.1 134.3 342 342 A K H < S+ 0 0 138 -4,-0.5 -2,-0.2 -3,-0.2 -1,-0.2 0.821 142.7 23.6 -90.2 -30.5 34.4 -1.8 137.6 343 343 A S X + 0 0 8 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 -0.623 51.5 168.4-145.3 85.6 31.5 -2.9 139.8 344 344 A P H > S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.848 85.5 53.8 -58.7 -41.8 28.6 -5.2 138.6 345 345 A T H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.927 111.3 45.3 -59.3 -47.7 27.3 -5.9 142.1 346 346 A F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.870 109.9 53.5 -62.3 -42.1 27.0 -2.1 142.8 347 347 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -8,-0.2 -1,-0.2 0.841 107.1 54.2 -62.4 -32.4 25.4 -1.5 139.4 348 348 A E H X S+ 0 0 115 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.893 107.5 49.7 -64.8 -42.9 22.9 -4.2 140.5 349 349 A S H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 3,-0.2 0.935 109.6 50.6 -54.5 -50.4 22.2 -2.2 143.7 350 350 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.865 108.8 53.4 -57.4 -35.2 21.7 0.9 141.6 351 351 A A H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.806 108.0 48.5 -72.2 -36.8 19.3 -1.0 139.4 352 352 A V H X S+ 0 0 39 -4,-1.7 4,-2.8 -3,-0.2 5,-0.2 0.941 112.7 48.4 -64.9 -51.6 17.2 -2.1 142.4 353 353 A V H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.907 113.7 48.0 -53.5 -44.6 17.1 1.5 143.7 354 354 A W H X S+ 0 0 22 -4,-2.4 4,-3.4 -5,-0.2 -1,-0.2 0.942 110.6 50.4 -65.1 -47.5 16.1 2.6 140.2 355 355 A E H X S+ 0 0 100 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.878 111.6 48.1 -53.5 -46.3 13.4 -0.1 139.9 356 356 A K H < S+ 0 0 84 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.885 115.5 45.5 -64.2 -40.6 11.9 0.9 143.3 357 357 A T H >< S+ 0 0 3 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.940 112.2 49.5 -70.4 -51.0 11.9 4.5 142.4 358 358 A H H 3< S+ 0 0 62 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.0 47.6 -50.7 -45.4 10.5 4.1 138.9 359 359 A K T 3< S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.146 84.9 132.9 -90.7 19.6 7.6 1.9 140.2 360 360 A R < + 0 0 32 -3,-1.4 -3,-0.1 1,-0.1 -4,-0.0 -0.441 32.1 179.2 -83.1 146.9 6.5 4.2 143.1 361 361 A K 0 0 167 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.422 360.0 360.0-120.3 -6.8 3.0 5.2 143.8 362 362 A K 0 0 114 -99,-0.0 -100,-0.1 -100,-0.0 -1,-0.1 -0.919 360.0 360.0-154.8 360.0 3.4 7.4 146.9