==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-NOV-10 3PR3 . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR T.GILEADI,A.K.WERNIMONT,A.HUTCHINSON,J.WEDGE,D.COSSAR,J.LEW, . 1155 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 844 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 81 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 448 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 4 2 4 4 2 0 2 4 0 6 0 4 0 2 4 0 2 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 8 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 N 0 0 106 0, 0.0 2,-0.2 0, 0.0 387,-0.0 0.000 360.0 360.0 360.0 -33.4 20.2 36.1 -6.4 2 3 A M - 0 0 70 1,-0.1 2,-0.2 2,-0.0 386,-0.1 -0.537 360.0-124.4 -80.5 151.2 17.0 36.3 -8.5 3 4 A E > - 0 0 60 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.567 23.1-103.7 -95.6 164.6 14.2 33.9 -7.3 4 5 A I G > S+ 0 0 11 1,-0.3 3,-1.3 -2,-0.2 6,-0.2 0.756 116.4 73.3 -56.4 -28.0 12.3 31.2 -9.4 5 6 A T G 3 S+ 0 0 47 1,-0.2 -1,-0.3 5,-0.1 -3,-0.0 0.512 91.6 56.8 -66.3 -6.0 9.4 33.7 -9.4 6 7 A N G < S+ 0 0 95 -3,-2.0 -1,-0.2 4,-0.1 -2,-0.2 0.575 77.5 115.0-103.2 -13.1 11.4 35.8 -12.0 7 8 A L S X> S- 0 0 43 -3,-1.3 4,-2.2 -4,-0.3 3,-0.8 -0.316 74.0-123.3 -60.9 139.9 11.9 33.1 -14.6 8 9 A K H 3> S+ 0 0 128 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.894 114.4 51.3 -47.8 -50.4 10.2 33.7 -18.0 9 10 A S H 3> S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.770 108.4 51.6 -62.5 -30.1 8.4 30.4 -17.7 10 11 A Y H <> S+ 0 0 21 -3,-0.8 4,-1.6 -6,-0.2 -1,-0.2 0.932 109.9 49.0 -71.9 -44.4 7.1 31.3 -14.2 11 12 A K H X S+ 0 0 111 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.832 109.0 53.1 -64.0 -34.0 5.7 34.6 -15.4 12 13 A E H X S+ 0 0 54 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.872 106.0 53.3 -68.2 -37.6 3.9 32.8 -18.3 13 14 A L H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.869 103.4 57.1 -66.9 -34.1 2.3 30.4 -15.8 14 15 A V H X S+ 0 0 72 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.951 112.6 41.7 -57.8 -48.0 1.0 33.4 -13.8 15 16 A T H X S+ 0 0 102 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.881 116.2 48.0 -65.7 -46.1 -0.8 34.6 -17.1 16 17 A L H X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.893 108.9 52.9 -66.2 -39.2 -2.0 31.1 -18.1 17 18 A S H X S+ 0 0 6 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.836 103.2 58.8 -64.5 -34.6 -3.4 30.3 -14.6 18 19 A A H < S+ 0 0 58 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.2 0.898 110.0 43.2 -60.6 -40.9 -5.4 33.6 -14.7 19 20 A E H >< S+ 0 0 78 -4,-1.2 3,-1.2 -3,-0.2 4,-0.4 0.871 110.1 57.1 -69.7 -41.0 -7.1 32.3 -17.9 20 21 A E H >< S+ 0 0 1 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.797 96.0 63.7 -60.8 -33.3 -7.5 28.8 -16.3 21 22 A K T 3< S+ 0 0 110 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.718 100.8 53.1 -63.9 -24.8 -9.5 30.3 -13.4 22 23 A T T < S+ 0 0 111 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 0.543 99.3 82.3 -85.4 -14.0 -12.2 31.3 -15.9 23 24 A K S < S- 0 0 76 -3,-1.1 2,-0.3 -4,-0.4 3,-0.0 -0.676 71.9-134.0 -98.9 149.1 -12.5 27.7 -17.3 24 25 A D > - 0 0 71 -2,-0.3 4,-1.2 1,-0.1 3,-0.4 -0.794 11.0-139.2-105.0 145.5 -14.5 24.8 -15.9 25 26 A L H > S+ 0 0 1 436,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.809 103.6 67.4 -68.8 -29.3 -13.4 21.2 -15.4 26 27 A K H 4 S+ 0 0 84 435,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.892 102.2 45.9 -54.5 -45.8 -16.8 20.1 -16.7 27 28 A D H >4 S+ 0 0 109 -3,-0.4 3,-0.9 1,-0.2 -1,-0.2 0.892 114.2 47.5 -64.8 -45.1 -15.9 21.5 -20.2 28 29 A Y H >< S+ 0 0 20 -4,-1.2 3,-1.6 1,-0.2 7,-0.2 0.834 105.7 58.8 -64.3 -39.9 -12.4 19.8 -20.2 29 30 A L T 3< S+ 0 0 0 -4,-2.6 1115,-2.1 1,-0.3 1116,-0.5 0.512 98.0 60.6 -72.6 -6.4 -13.8 16.4 -19.0 30 31 A N T < S+ 0 0 88 -3,-0.9 2,-0.7 -4,-0.3 -1,-0.3 0.301 83.7 91.8-101.4 8.1 -16.0 16.3 -22.2 31 32 A D <> - 0 0 69 -3,-1.6 4,-2.1 1,-0.2 3,-0.2 -0.890 58.7-168.7-103.9 100.3 -12.9 16.4 -24.4 32 33 A K H > S+ 0 0 44 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.860 87.2 54.4 -55.1 -40.5 -12.0 12.7 -25.1 33 34 A N H > S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.892 107.5 48.0 -64.2 -42.2 -8.6 13.7 -26.5 34 35 A R H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 113.5 49.2 -64.4 -41.5 -7.6 15.8 -23.4 35 36 A S H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.918 108.5 51.4 -62.0 -47.8 -8.6 12.8 -21.2 36 37 A E H < S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 115.6 44.2 -60.0 -32.6 -6.6 10.3 -23.3 37 38 A S H < S+ 0 0 42 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 112.6 48.7 -81.6 -36.6 -3.6 12.6 -22.9 38 39 A L H < S+ 0 0 2 -4,-2.1 11,-2.8 -5,-0.1 2,-0.8 0.458 93.6 83.5 -86.2 -2.5 -3.9 13.4 -19.2 39 40 A I E < S-A 48 0A 4 -4,-1.0 2,-0.4 9,-0.2 9,-0.2 -0.910 71.2-162.2-101.5 103.5 -4.3 9.7 -18.3 40 41 A K E -A 47 0A 53 7,-2.9 7,-2.8 -2,-0.8 2,-0.3 -0.750 2.8-146.7 -91.0 138.1 -0.7 8.5 -18.0 41 42 A K E +A 46 0A 93 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.773 19.4 173.2-107.3 147.7 -0.0 4.8 -18.1 42 43 A F - 0 0 48 3,-2.2 5,-0.0 -2,-0.3 0, 0.0 -0.753 51.2 -96.4-133.3 175.2 2.7 2.7 -16.4 43 44 A K S S+ 0 0 94 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.958 123.2 27.4 -63.9 -44.1 2.9 -1.1 -16.5 44 45 A N S S+ 0 0 39 -3,-0.1 456,-1.7 1,-0.1 2,-0.3 0.432 125.7 16.0 -96.4 -7.5 1.1 -1.5 -13.1 45 46 A F E - B 0 499A 0 454,-0.2 -3,-2.2 455,-0.1 2,-0.4 -0.992 55.6-124.1-161.8 170.2 -1.0 1.7 -13.0 46 47 A Y E -AB 41 498A 43 452,-2.3 452,-2.7 -2,-0.3 2,-0.6 -0.952 13.9-156.6-121.7 139.1 -2.7 4.7 -14.4 47 48 A M E -AB 40 497A 0 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.8 -0.969 11.4-159.9-117.9 108.9 -2.2 8.3 -13.2 48 49 A D E +AB 39 496A 0 448,-3.2 448,-2.0 -2,-0.6 3,-0.3 -0.842 22.1 164.9 -95.4 105.5 -5.3 10.4 -14.1 49 50 A L E > + 0 0 0 -11,-2.8 3,-0.6 -2,-0.8 -10,-0.2 0.197 45.8 105.9-100.1 8.2 -4.4 14.1 -14.1 50 51 A S E 3 + 0 0 0 1,-0.3 2,-0.2 -12,-0.2 4,-0.2 0.716 66.5 65.5 -67.5 -24.5 -7.5 15.3 -16.1 51 52 A R E 3 S+ B 0 494A 0 443,-0.6 443,-1.7 -3,-0.3 2,-0.4 -0.151 81.2 109.7 -91.2 40.1 -9.3 16.8 -13.1 52 53 A Q S < S- 0 0 2 -3,-0.6 2,-2.7 -2,-0.2 440,-0.1 -0.928 82.5-112.1-116.9 139.3 -6.6 19.5 -12.9 53 54 A R S S+ 0 0 22 -2,-0.4 2,-0.3 438,-0.1 -33,-0.1 -0.358 82.7 94.6 -71.7 60.8 -7.3 23.1 -13.8 54 55 A Y - 0 0 0 -2,-2.7 -2,-0.2 -4,-0.2 2,-0.2 -0.993 64.6-134.8-151.8 147.1 -5.0 23.1 -16.9 55 56 A S >> - 0 0 16 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.564 43.7-102.0 -87.6 162.7 -5.2 22.7 -20.6 56 57 A E H 3> S+ 0 0 68 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.826 125.3 58.2 -57.7 -28.6 -2.6 20.5 -22.2 57 58 A K H 3> S+ 0 0 122 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.876 105.8 47.1 -69.9 -37.5 -0.9 23.8 -23.3 58 59 A T H <> S+ 0 0 0 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.909 110.7 52.0 -68.6 -42.4 -0.6 24.9 -19.7 59 60 A L H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.922 107.7 52.9 -58.8 -42.4 0.8 21.5 -18.7 60 61 A N H X S+ 0 0 94 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.848 107.9 51.2 -60.8 -33.8 3.4 21.9 -21.5 61 62 A K H X S+ 0 0 35 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.822 107.1 52.4 -72.1 -31.2 4.3 25.3 -20.0 62 63 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.3 3,-0.2 0.911 108.9 50.5 -68.4 -40.6 4.8 23.6 -16.6 63 64 A V H X S+ 0 0 11 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.910 108.3 53.0 -62.2 -38.6 7.1 21.2 -18.4 64 65 A E H X S+ 0 0 81 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.802 107.0 51.8 -66.0 -31.6 8.9 24.3 -19.8 65 66 A Y H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.2 0.890 106.4 53.4 -69.6 -43.0 9.3 25.7 -16.3 66 67 A A H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 -2,-0.2 0.859 109.9 48.7 -59.7 -35.2 10.9 22.3 -15.2 67 68 A E H ><5S+ 0 0 109 -4,-1.6 3,-1.3 3,-0.2 -2,-0.2 0.903 109.3 52.2 -70.0 -43.3 13.4 22.7 -18.1 68 69 A E H 3<5S+ 0 0 80 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.839 108.8 49.1 -64.8 -33.3 14.2 26.3 -17.1 69 70 A V T 3<5S- 0 0 7 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.482 113.6-122.7 -83.6 0.1 15.0 25.2 -13.5 70 71 A E T <>5 + 0 0 106 -3,-1.3 4,-2.3 -5,-0.2 -3,-0.2 0.909 48.6 167.1 59.7 46.5 17.2 22.4 -14.9 71 72 A L H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 111.2 47.0 -59.6 -49.0 16.7 16.8 -15.1 73 74 A K H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 114.3 48.4 -58.2 -45.4 20.3 18.0 -14.3 74 75 A K H X S+ 0 0 34 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.886 111.8 46.9 -65.9 -42.7 19.4 18.4 -10.6 75 76 A V H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.910 112.7 51.6 -63.7 -43.6 17.8 15.0 -10.3 76 77 A E H X S+ 0 0 95 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 107.3 52.1 -59.9 -46.4 20.8 13.5 -12.1 77 78 A K H X>S+ 0 0 53 -4,-2.5 5,-2.4 1,-0.2 4,-0.7 0.882 109.5 50.9 -56.6 -41.6 23.3 15.2 -9.7 78 79 A T H ><5S+ 0 0 4 -4,-1.7 3,-0.9 1,-0.2 14,-0.4 0.937 112.7 44.3 -60.5 -51.7 21.3 13.7 -6.8 79 80 A F H 3<5S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.796 108.5 59.0 -62.8 -34.8 21.4 10.1 -8.2 80 81 A M H 3<5S- 0 0 101 -4,-2.3 -1,-0.2 -5,-0.2 30,-0.2 0.601 119.5-108.2 -70.6 -17.3 25.2 10.5 -9.1 81 82 A G T <<5 + 0 0 8 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.623 61.8 159.4 95.3 18.0 26.0 11.2 -5.4 82 83 A E < - 0 0 91 -5,-2.4 2,-2.5 -6,-0.2 10,-0.5 -0.400 56.9 -99.9 -70.9 149.0 26.7 14.9 -5.7 83 84 A K + 0 0 115 1,-0.2 8,-0.2 8,-0.2 6,-0.1 -0.404 63.1 150.7 -73.1 70.2 26.5 17.0 -2.5 84 85 A V + 0 0 8 -2,-2.5 2,-1.6 1,-0.1 -1,-0.2 0.582 52.2 84.2 -78.9 -16.5 23.0 18.4 -3.3 85 86 A N B >>> +F 90 0B 4 5,-2.2 5,-2.0 -3,-0.2 4,-0.8 -0.730 66.2 177.8 -88.2 80.6 22.2 18.8 0.4 86 87 A M T 345 + 0 0 94 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.698 66.9 55.3 -62.0 -30.2 24.0 22.2 0.4 87 88 A T T 345S+ 0 0 9 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.703 121.4 29.8 -80.5 -20.2 23.4 23.3 4.0 88 89 A E T <45S- 0 0 46 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.382 104.2-126.6-114.4 -0.3 24.9 20.1 5.4 89 90 A N T <5 + 0 0 100 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.967 63.8 137.0 48.9 61.3 27.4 19.5 2.5 90 91 A R B < -F 85 0B 69 -5,-2.0 -5,-2.2 -7,-0.1 -1,-0.2 -0.951 56.6-113.5-137.8 153.2 26.0 16.0 2.1 91 92 A S - 0 0 12 -2,-0.3 2,-0.5 -8,-0.2 -8,-0.2 -0.380 19.5-140.1 -80.6 161.4 25.0 13.5 -0.6 92 93 A V + 0 0 6 -10,-0.5 -11,-0.3 -14,-0.4 198,-0.2 -0.939 38.8 152.9-125.4 94.8 21.3 12.3 -1.0 93 94 A L >> + 0 0 0 196,-3.0 3,-1.4 -2,-0.5 4,-0.7 0.010 21.8 123.7-125.3 36.7 21.6 8.6 -1.8 94 95 A H G >4 S+ 0 0 5 195,-0.3 3,-0.6 1,-0.3 4,-0.4 0.810 76.9 65.1 -62.1 -27.8 18.4 6.8 -0.7 95 96 A T G >4 S+ 0 0 8 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.774 91.9 62.1 -65.1 -27.9 18.1 5.6 -4.3 96 97 A A G X4 S+ 0 0 0 -3,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.848 89.6 71.0 -65.3 -34.5 21.4 3.6 -3.8 97 98 A L G << S+ 0 0 3 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.689 103.2 40.6 -53.9 -28.1 19.7 1.5 -1.1 98 99 A R G < S+ 0 0 4 -3,-0.9 224,-0.3 -4,-0.4 -1,-0.3 0.255 78.4 121.3-113.2 13.4 17.5 -0.2 -3.7 99 100 A I < - 0 0 13 -3,-1.7 220,-0.1 -4,-0.1 5,-0.0 -0.629 68.0-117.6 -74.2 123.8 20.0 -0.8 -6.6 100 101 A P > - 0 0 31 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.251 17.8-108.8 -67.7 157.8 20.1 -4.7 -7.1 101 102 A I G > S+ 0 0 77 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.829 116.5 61.6 -52.5 -38.0 23.2 -6.9 -6.6 102 103 A E G 3 S+ 0 0 145 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.762 106.9 47.1 -62.2 -22.7 23.6 -7.5 -10.4 103 104 A K G <> S+ 0 0 54 -3,-1.7 4,-2.8 1,-0.2 -1,-0.3 0.311 77.4 110.8-100.1 7.2 24.1 -3.7 -10.8 104 105 A I T <4 S+ 0 0 31 -3,-1.8 13,-0.2 1,-0.2 5,-0.2 0.810 93.8 24.5 -49.7 -39.0 26.6 -3.4 -7.8 105 106 A N T >4 S+ 0 0 106 -3,-0.3 3,-1.0 -4,-0.3 -1,-0.2 0.837 122.6 50.9 -96.5 -43.9 29.4 -2.6 -10.3 106 107 A T T 34 S+ 0 0 107 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.878 121.9 34.9 -63.2 -38.4 27.6 -1.2 -13.4 107 108 A H T 3< S+ 0 0 63 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.1 0.053 89.2 157.0-104.5 21.4 25.7 1.3 -11.2 108 109 A K < - 0 0 126 -3,-1.0 2,-0.4 1,-0.1 -3,-0.1 -0.062 28.1-157.5 -49.6 142.0 28.6 1.9 -8.8 109 110 A I - 0 0 14 -5,-0.2 7,-2.7 2,-0.1 2,-0.6 -0.980 8.8-147.9-128.7 114.5 28.6 5.2 -6.8 110 111 A I E +G 115 0C 93 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.782 24.1 165.9 -92.9 118.9 32.0 6.3 -5.4 111 112 A I E > S-G 114 0C 42 3,-2.3 3,-0.6 -2,-0.6 -2,-0.1 -0.991 78.2 -10.1-131.3 116.8 32.0 8.3 -2.1 112 113 A D T 3 S- 0 0 157 -2,-0.4 -1,-0.1 1,-0.2 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-3,-2.2 4,-3.1 3,-0.1 5,-0.2 0.515 108.4 79.9-147.8 -28.2 9.3 4.4 12.1 160 161 A L H X S+ 0 0 15 -4,-2.6 4,-1.7 2,-0.2 212,-0.2 0.901 101.1 41.0 -58.3 -48.6 6.8 6.2 9.8 161 162 A G H > S+ 0 0 2 -4,-0.3 4,-2.3 -5,-0.2 5,-0.2 0.949 117.3 51.0 -62.2 -48.1 8.0 4.6 6.5 162 163 A T H > S+ 0 0 1 -5,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.873 110.9 45.9 -55.0 -51.5 8.2 1.2 8.2 163 164 A E H X S+ 0 0 32 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.846 110.3 55.1 -67.5 -32.4 4.7 1.3 9.8 164 165 A F H X S+ 0 0 1 -4,-1.7 4,-2.3 -5,-0.2 204,-0.3 0.981 115.1 38.4 -60.2 -57.3 3.2 2.5 6.5 165 166 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.902 116.2 53.9 -60.0 -45.8 4.7 -0.6 4.6 166 167 A Y H X S+ 0 0 11 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.952 114.1 39.5 -53.5 -57.8 4.0 -2.9 7.6 167 168 A E H < S+ 0 0 21 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.832 117.1 50.6 -62.0 -37.0 0.3 -2.0 7.8 168 169 A A H < S+ 0 0 0 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.859 121.7 31.4 -66.9 -39.6 -0.1 -1.9 4.0 169 170 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 3,-0.3 0.654 92.4 87.3 -99.0 -23.1 1.6 -5.3 3.5 170 171 A K H X S+ 0 0 27 -4,-2.6 4,-2.7 -5,-0.2 5,-0.1 0.872 95.3 42.5 -48.9 -49.5 0.7 -7.4 6.6 171 172 A Y H > S+ 0 0 4 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.791 111.2 54.7 -71.3 -28.5 -2.6 -8.7 5.2 172 173 A Y H >>S+ 0 0 46 -3,-0.3 4,-1.9 -4,-0.3 5,-1.0 0.919 113.8 43.9 -66.3 -40.8 -1.2 -9.4 1.8 173 174 A Y H X>S+ 0 0 1 -4,-2.3 5,-2.4 3,-0.2 4,-0.7 0.927 118.1 42.9 -67.4 -48.4 1.4 -11.5 3.5 174 175 A Y H <>S+ 0 0 9 -4,-2.7 5,-1.5 3,-0.2 -2,-0.2 0.909 125.5 33.9 -63.2 -46.5 -1.1 -13.2 5.9 175 176 A N H <5S+ 0 0 0 -4,-2.8 6,-2.5 3,-0.2 -3,-0.2 0.955 127.1 29.2 -77.7 -61.1 -3.7 -13.8 3.2 176 177 A M H <5S+ 0 0 30 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.815 133.7 28.3 -74.9 -34.9 -1.9 -14.5 -0.2 177 178 A E T < - 0 0 55 -2,-0.1 3,-1.8 1,-0.1 2,-0.1 -0.552 37.6 -79.1 -89.5 162.4 -5.5 -16.7 -4.8 183 184 A K T 3 S+ 0 0 60 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.413 119.0 9.4 -61.5 135.4 -6.3 -13.3 -6.4 184 185 A D T 3 S+ 0 0 93 248,-0.3 2,-0.6 1,-0.3 -1,-0.3 0.523 85.3 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138.6 -99.5 100.6 7.3 2.6 20.4 205 206 A A + 0 0 2 -2,-0.8 -1,-0.2 -52,-0.2 36,-0.1 0.822 42.4 73.5-109.0 -57.0 7.6 6.2 19.1 206 207 A N - 0 0 0 1,-0.1 778,-0.1 2,-0.1 -52,-0.0 -0.268 66.1-141.1 -64.2 147.3 6.4 8.7 21.8 207 208 A V S S+ 0 0 0 4,-0.1 820,-0.2 820,-0.0 -1,-0.1 0.547 73.3 114.0 -79.9 -12.7 8.5 9.4 24.9 208 209 A D S >> S- 0 0 0 1,-0.2 3,-2.5 775,-0.1 4,-0.7 -0.474 75.7-134.3 -58.9 120.7 5.1 9.6 26.7 209 210 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.720 103.0 73.7 -54.6 -17.3 5.3 6.5 29.1 210 211 A N H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.804 93.7 53.3 -62.2 -30.1 1.7 5.7 27.8 211 212 A D H <> S+ 0 0 8 -3,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.827 105.7 51.0 -74.8 -33.2 3.4 4.6 24.6 212 213 A V H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.924 108.2 53.9 -65.0 -43.3 5.7 2.3 26.6 213 214 A N H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.867 111.2 44.9 -55.3 -44.5 2.4 0.9 28.2 214 215 A R H < S+ 0 0 33 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.867 113.1 51.2 -68.1 -41.4 1.0 0.2 24.7 215 216 A A H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 117.0 37.7 -63.2 -44.6 4.3 -1.4 23.4 216 217 A I H >< S+ 0 0 9 -4,-2.5 3,-2.1 -5,-0.1 -1,-0.2 0.486 81.7 131.8 -88.9 -9.5 4.6 -3.8 26.4 217 218 A Q T 3< S- 0 0 30 -4,-0.9 3,-0.1 1,-0.3 553,-0.1 -0.247 87.7 -9.3 -52.8 124.3 0.9 -4.7 26.9 218 219 A N T 3 S+ 0 0 98 1,-0.2 2,-0.3 554,-0.0 -1,-0.3 0.523 105.3 137.7 64.3 11.3 0.5 -8.6 27.1 219 220 A L < - 0 0 19 -3,-2.1 2,-0.5 3,-0.0 -1,-0.2 -0.718 47.1-148.5 -96.9 136.8 4.1 -9.1 26.1 220 221 A D >> - 0 0 52 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.909 12.9-142.2-101.5 123.7 6.6 -11.5 27.7 221 222 A Q G >4 S+ 0 0 16 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.871 101.1 64.0 -47.8 -42.8 10.3 -10.2 27.7 222 223 A Y G 34 S+ 0 0 86 1,-0.3 -79,-0.4 -81,-0.1 -1,-0.3 0.678 108.4 38.4 -58.2 -24.8 11.3 -13.9 26.9 223 224 A D G <4 S+ 0 0 51 -3,-1.9 -74,-2.5 -76,-0.1 -75,-2.4 0.382 99.9 102.3-103.9 -4.0 9.5 -13.8 23.5 224 225 A T E << -i 149 0D 0 -3,-1.5 2,-0.4 -4,-0.5 -74,-0.2 -0.776 49.3-165.4 -99.3 128.1 10.4 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296 A S X + 0 0 0 -3,-1.6 3,-1.8 -138,-0.2 6,-0.6 0.499 46.1 92.5 -95.0 -7.0 15.2 5.7 5.2 296 297 A V T 3 >S+ 0 0 4 1,-0.3 6,-0.9 4,-0.2 5,-0.7 0.852 85.2 57.7 -56.2 -36.0 12.6 2.8 4.9 297 298 A T T 3 5S+ 0 0 1 -3,-0.3 -1,-0.3 4,-0.2 2,-0.1 0.533 102.4 69.3 -73.7 -4.2 14.7 1.3 2.0 298 299 A S T X>5S- 0 0 3 -3,-1.8 4,-2.4 -200,-0.0 3,-1.6 -0.349 118.6 -73.4 -97.1-176.2 17.7 1.0 4.4 299 300 A S H 3>5S+ 0 0 3 -14,-0.4 4,-2.0 1,-0.3 -13,-0.1 0.738 123.3 79.8 -50.8 -25.3 18.1 -1.3 7.5 300 301 A V H 345S+ 0 0 0 -5,-0.4 -1,-0.3 2,-0.2 -4,-0.2 0.861 117.7 7.0 -47.9 -50.2 15.5 1.1 9.2 301 302 A G H <> S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.884 120.8 52.5 -65.0 -35.9 12.0 -5.2 10.9 305 306 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.823 108.1 49.9 -68.1 -32.8 10.0 -5.8 7.7 306 307 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.806 110.6 50.9 -73.6 -30.4 12.2 -8.8 6.7 307 308 A I H < S+ 0 0 1 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.954 117.3 40.2 -68.7 -47.4 11.7 -10.3 10.1 308 309 A A H < S+ 0 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-2,-0.2 1,-0.2 -1,-0.2 0.891 117.5 38.8 -54.0 -48.3 12.2 9.1 -12.4 329 330 A L H < S+ 0 0 34 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.902 126.7 31.5 -71.7 -46.4 15.8 9.5 -13.6 330 331 A H H < S+ 0 0 116 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.770 91.2 96.9 -89.1 -33.2 15.5 8.4 -17.3 331 332 A A S < S- 0 0 18 -4,-2.7 5,-0.1 -5,-0.3 2,-0.0 -0.344 81.1-108.7 -64.8 138.6 12.0 9.4 -18.5 332 333 A D > - 0 0 81 3,-0.1 3,-2.0 1,-0.1 4,-0.1 -0.359 33.6-110.5 -60.1 145.2 11.7 12.7 -20.3 333 334 A L G > S+ 0 0 6 1,-0.3 3,-1.8 2,-0.2 7,-0.2 0.878 116.2 59.7 -48.2 -45.6 10.0 15.4 -18.2 334 335 A K G 3 S+ 0 0 122 1,-0.3 -1,-0.3 5,-0.1 -271,-0.1 0.617 119.4 29.6 -59.1 -17.3 6.7 15.4 -20.4 335 336 A E G < S+ 0 0 102 -3,-2.0 2,-0.8 -295,-0.0 -1,-0.3 0.030 88.7 116.5-132.7 22.2 6.3 11.7 -19.5 336 337 A N <> - 0 0 2 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.861 51.5-157.7-100.7 104.0 7.9 11.5 -16.1 337 338 A I H > S+ 0 0 5 -2,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.904 89.2 43.8 -51.3 -51.6 5.1 10.5 -13.7 338 339 A P H > S+ 0 0 0 0, 0.0 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-9,-0.0 -0.606 23.9-175.9-112.3 174.0 19.5 24.8 42.3 558 559 A S - 0 0 49 2,-0.4 -10,-0.0 -2,-0.2 -11,-0.0 -0.909 48.8 -77.0-158.0-178.9 22.3 24.1 39.7 559 560 A D S S+ 0 0 110 -2,-0.2 2,-0.2 2,-0.1 -2,-0.0 0.669 100.1 98.8 -63.5 -18.4 24.7 25.9 37.3 560 561 A N - 0 0 73 -13,-0.1 -2,-0.4 -16,-0.0 2,-0.4 -0.468 61.0-156.3 -73.8 139.4 21.8 26.5 34.9 561 562 A T - 0 0 133 -2,-0.2 2,-0.4 2,-0.0 -13,-0.1 -0.967 10.2-148.8-117.8 132.2 20.0 30.0 34.9 562 563 A Y - 0 0 57 -2,-0.4 2,-0.4 2,-0.0 -17,-0.0 -0.881 20.1-179.2-111.0 134.8 16.4 30.2 33.7 563 564 A N + 0 0 146 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.741 19.7 171.6-128.4 78.9 14.7 33.1 32.0 564 565 A F - 0 0 20 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.707 33.4-114.2 -87.6 139.5 11.1 31.9 31.5 565 566 A N > - 0 0 12 -2,-0.3 4,-2.2 1,-0.1 43,-0.2 -0.119 35.9 -94.4 -67.5 171.1 8.5 34.4 30.2 566 567 A E H > S+ 0 0 40 41,-2.2 4,-1.2 1,-0.2 42,-0.1 0.804 124.3 46.1 -59.0 -32.4 5.5 35.5 32.4 567 568 A S H > S+ 0 0 0 40,-0.4 4,-2.1 2,-0.2 5,-0.2 0.921 110.4 51.2 -76.3 -47.1 3.1 32.8 30.9 568 569 A T H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.916 108.3 54.4 -56.6 -43.1 5.6 29.9 31.1 569 570 A K H X S+ 0 0 88 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.885 108.3 47.9 -57.2 -46.2 6.2 30.7 34.8 570 571 A I H X S+ 0 0 36 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.924 117.0 41.7 -62.8 -48.4 2.4 30.6 35.7 571 572 A L H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.861 112.6 52.8 -71.0 -36.4 1.9 27.2 33.8 572 573 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.890 108.3 53.3 -63.3 -38.0 5.2 25.6 35.1 573 574 A N H X S+ 0 0 108 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.918 113.1 42.3 -61.1 -46.3 4.0 26.6 38.7 574 575 A Y H >< S+ 0 0 29 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.922 113.7 53.2 -66.5 -44.3 0.6 24.8 38.1 575 576 A Y H 3< S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.832 113.8 41.4 -58.0 -40.4 2.5 21.8 36.4 576 577 A L H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.446 91.7 108.8 -91.6 -0.9 4.9 21.3 39.3 577 578 A S << 0 0 66 -3,-0.9 -3,-0.0 -4,-0.6 -4,-0.0 -0.439 360.0 360.0 -74.3 148.1 2.2 21.8 42.1 578 579 A K 0 0 130 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.128 360.0 360.0 -63.2 360.0 1.0 18.7 44.1 579 !* 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 0.0 580 3 B M 0 0 121 0, 0.0 2,-0.2 0, 0.0 386,-0.1 0.000 360.0 360.0 360.0 93.1 -26.4 41.8 6.6 581 4 B E > - 0 0 48 1,-0.1 3,-1.8 383,-0.0 4,-0.3 -0.579 360.0-117.4 -87.3 150.5 -23.1 39.9 6.3 582 5 B I G > S+ 0 0 4 1,-0.3 3,-1.4 -2,-0.2 6,-0.2 0.772 107.3 66.2 -50.2 -37.4 -20.4 39.8 9.1 583 6 B T G 3 S+ 0 0 39 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.685 100.9 50.8 -63.7 -20.9 -17.7 41.6 7.0 584 7 B N G < S+ 0 0 113 -3,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.431 82.6 114.2 -96.9 -6.1 -19.8 44.9 7.1 585 8 B L S <> S- 0 0 37 -3,-1.4 4,-2.4 -4,-0.3 5,-0.2 -0.425 74.1-122.5 -69.4 144.8 -20.4 45.0 10.9 586 9 B K H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.921 112.6 46.7 -50.6 -57.0 -18.8 47.9 12.8 587 10 B S H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.811 110.9 53.6 -60.3 -33.2 -16.9 45.5 15.2 588 11 B Y H > S+ 0 0 18 -6,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.939 109.7 46.6 -66.6 -48.3 -15.7 43.3 12.3 589 12 B K H X S+ 0 0 116 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.902 109.9 55.2 -59.5 -39.9 -14.3 46.4 10.4 590 13 B E H X S+ 0 0 49 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.859 105.4 51.8 -60.0 -39.6 -12.6 47.5 13.7 591 14 B L H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.863 103.9 57.4 -67.7 -34.7 -10.9 44.1 14.0 592 15 B V H X S+ 0 0 75 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.941 112.8 42.1 -57.3 -45.9 -9.5 44.5 10.4 593 16 B T H X S+ 0 0 104 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.882 116.8 46.3 -67.5 -46.4 -7.9 47.8 11.7 594 17 B L H X S+ 0 0 42 -4,-2.4 4,-2.0 1,-0.2 3,-0.2 0.896 109.4 53.9 -66.9 -39.6 -6.7 46.3 15.0 595 18 B S H X S+ 0 0 6 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.863 103.2 57.6 -62.3 -36.9 -5.3 43.2 13.4 596 19 B A H < S+ 0 0 55 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.874 109.9 44.2 -60.9 -40.2 -3.2 45.3 11.0 597 20 B E H >< S+ 0 0 93 -4,-1.1 3,-1.2 -3,-0.2 4,-0.4 0.871 109.2 57.8 -69.4 -40.1 -1.5 47.0 14.0 598 21 B E H >< S+ 0 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2,-0.9 -4,-0.3 -1,-0.3 0.457 83.9 92.7 -95.4 -7.2 7.0 40.0 29.4 609 32 B D <> - 0 0 77 -3,-1.4 4,-2.1 -4,-0.2 3,-0.2 -0.804 57.6-170.1 -93.1 101.6 3.7 41.6 30.6 610 33 B K H > S+ 0 0 112 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.856 86.7 54.6 -56.8 -39.7 2.6 39.7 33.8 611 34 B N H > S+ 0 0 91 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.891 108.2 47.2 -64.1 -42.1 -0.7 41.4 33.8 612 35 B R H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.914 113.6 49.7 -65.3 -42.0 -1.5 40.4 30.2 613 36 B S H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.923 108.8 51.2 -61.8 -46.8 -0.4 36.8 31.0 614 37 B E H < S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.811 115.0 44.8 -60.1 -32.4 -2.6 36.7 34.2 615 38 B S H < S+ 0 0 27 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.797 113.3 47.3 -82.4 -34.2 -5.6 37.8 32.0 616 39 B L H < S+ 0 0 1 -4,-2.0 11,-2.9 -5,-0.1 2,-0.8 0.461 95.0 82.5 -89.1 -1.9 -5.0 35.5 29.1 617 40 B I E < -O 626 0H 18 -4,-1.0 2,-0.3 9,-0.2 9,-0.2 -0.916 69.1-166.0-103.4 103.5 -4.6 32.4 31.3 618 41 B K E -O 625 0H 21 7,-2.9 7,-2.9 -2,-0.8 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