==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-APR-10 2XD9 . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR S.PAZ,L.TIZON,J.M.OTERO,A.L.LLAMAS-SAIZ,G.C.FOX,M.J.VAN RAAI . 457 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 15.3 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 . 31 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 5 3 0 0 0 0 6 0 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 1 5 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 3 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 45 0, 0.0 45,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 143.9 -43.7 32.7 2.5 2 2 A K E -ab 46 70A 71 67,-0.6 69,-2.5 43,-0.2 70,-1.2 -0.782 360.0-172.1 -95.5 123.3 -41.2 32.5 5.4 3 3 A I E -ab 47 72A 0 43,-2.7 45,-2.2 -2,-0.5 2,-0.5 -0.975 12.6-147.6-117.3 124.3 -38.6 35.3 5.7 4 4 A L E -ab 48 73A 0 68,-2.5 70,-2.9 -2,-0.5 2,-0.7 -0.805 5.5-158.2 -93.6 125.3 -35.8 35.0 8.3 5 5 A V E -ab 49 74A 0 43,-3.5 45,-2.3 -2,-0.5 2,-0.5 -0.928 10.5-168.5-105.8 109.8 -34.6 38.2 9.9 6 6 A I E -ab 50 75A 0 68,-2.5 70,-2.6 -2,-0.7 2,-0.5 -0.900 3.1-168.7-102.6 126.7 -31.0 37.7 11.2 7 7 A Q E -ab 51 76A 0 43,-2.9 45,-1.8 -2,-0.5 3,-0.1 -0.961 14.7-148.2-117.6 126.3 -29.6 40.4 13.5 8 8 A G > - 0 0 0 68,-3.0 3,-1.5 -2,-0.5 4,-0.4 0.169 40.2 -32.1 -87.7-159.5 -25.9 40.3 14.3 9 9 A P T 3 S+ 0 0 2 0, 0.0 70,-0.3 0, 0.0 -1,-0.2 -0.205 122.1 6.2 -65.9 146.2 -23.7 41.2 17.2 10 10 A N T > S+ 0 0 12 -3,-0.1 3,-1.4 1,-0.1 43,-0.1 0.179 94.1 109.6 73.7 -15.9 -24.5 44.2 19.5 11 11 A L G X + 0 0 16 -3,-1.5 3,-2.4 1,-0.3 16,-0.3 0.820 66.8 67.0 -60.1 -34.6 -27.9 44.8 17.7 12 12 A N G 3 S+ 0 0 49 -4,-0.4 -1,-0.3 1,-0.3 15,-0.2 0.762 93.1 62.9 -57.1 -21.4 -29.8 43.5 20.8 13 13 A M G X> S+ 0 0 20 -3,-1.4 3,-1.6 2,-0.1 4,-1.5 0.460 75.7 133.2 -84.0 2.5 -28.4 46.7 22.5 14 14 A L T <4 S+ 0 0 8 -3,-2.4 13,-0.4 1,-0.2 14,-0.2 -0.180 74.6 9.9 -50.4 142.7 -30.3 49.0 20.1 15 15 A G T 34 S+ 0 0 16 8,-0.8 -1,-0.2 2,-0.4 11,-0.2 0.145 121.4 71.3 75.4 -20.1 -32.2 51.9 21.8 16 16 A H T <4 S+ 0 0 122 -3,-1.6 2,-0.3 1,-0.2 -2,-0.2 0.714 100.8 36.2 -98.2 -26.9 -30.5 51.1 25.1 17 17 A R S < S- 0 0 54 -4,-1.5 -2,-0.4 1,-0.2 5,-0.2 -0.962 120.0 -1.9-132.4 146.5 -27.0 52.3 24.2 18 18 A D >> + 0 0 56 -2,-0.3 4,-2.3 229,-0.2 3,-0.6 0.880 61.8 177.1 41.6 59.6 -25.5 55.1 22.1 19 19 A P H 3> S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 6,-0.1 0.879 75.0 64.2 -54.8 -39.6 -28.9 56.5 21.0 20 20 A R H 34 S+ 0 0 243 1,-0.2 4,-0.1 2,-0.2 -2,-0.1 0.882 112.2 31.7 -54.3 -44.3 -27.1 59.3 19.2 21 21 A L H <4 S+ 0 0 64 -3,-0.6 -1,-0.2 2,-0.1 -3,-0.1 0.900 137.0 19.0 -82.2 -45.1 -25.4 56.9 16.8 22 22 A Y H < S- 0 0 46 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.489 106.7-115.2-112.6 -5.4 -28.0 54.0 16.3 23 23 A G < - 0 0 25 -4,-2.6 -8,-0.8 -5,-0.4 -1,-0.2 -0.200 21.2 -84.4 101.7 174.7 -31.3 55.6 17.5 24 24 A M S S+ 0 0 132 -10,-0.1 2,-0.4 -4,-0.1 -1,-0.1 0.526 91.3 100.5 -95.7 -14.3 -33.9 55.2 20.2 25 25 A V - 0 0 47 -3,-0.2 -10,-0.2 -6,-0.1 -9,-0.1 -0.664 68.7-138.2 -81.0 126.4 -35.9 52.5 18.6 26 26 A T > - 0 0 23 -2,-0.4 4,-2.1 -11,-0.2 -11,-0.2 -0.319 20.0-109.4 -83.9 166.7 -35.1 49.1 20.0 27 27 A L H > S+ 0 0 12 -13,-0.4 4,-2.1 -16,-0.3 5,-0.2 0.919 120.9 52.6 -62.3 -44.3 -34.6 45.8 18.2 28 28 A D H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.856 109.7 51.4 -58.9 -33.5 -37.9 44.4 19.5 29 29 A Q H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.874 106.6 52.1 -73.1 -36.0 -39.6 47.6 18.2 30 30 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 108.7 51.5 -63.4 -42.5 -38.1 47.3 14.7 31 31 A H H X S+ 0 0 16 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.864 108.8 49.8 -66.1 -35.7 -39.4 43.7 14.6 32 32 A E H X S+ 0 0 116 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.898 109.6 52.4 -68.7 -39.9 -43.0 44.8 15.6 33 33 A I H X S+ 0 0 78 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.849 108.6 50.4 -58.6 -38.8 -42.8 47.5 12.9 34 34 A M H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.923 111.2 48.2 -66.3 -42.5 -41.8 44.8 10.3 35 35 A Q H X S+ 0 0 66 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.878 110.9 50.5 -65.4 -38.4 -44.8 42.7 11.4 36 36 A T H X S+ 0 0 58 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.873 106.4 56.6 -67.8 -33.5 -47.2 45.7 11.2 37 37 A F H X S+ 0 0 77 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 111.4 42.9 -59.9 -43.3 -45.8 46.3 7.7 38 38 A V H X>S+ 0 0 12 -4,-1.7 5,-1.8 2,-0.2 4,-1.2 0.964 114.4 49.5 -64.7 -54.4 -46.8 42.8 6.7 39 39 A K H <5S+ 0 0 159 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.887 114.6 44.3 -53.7 -45.5 -50.2 42.9 8.5 40 40 A Q H <5S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 116.1 46.3 -73.3 -40.8 -51.1 46.2 6.9 41 41 A G H <5S- 0 0 44 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.606 103.0-132.3 -69.8 -12.7 -49.9 45.2 3.4 42 42 A N T <5 + 0 0 144 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.956 43.9 174.5 49.9 50.5 -51.7 41.8 3.8 43 43 A L < - 0 0 51 -5,-1.8 2,-1.8 -6,-0.1 -1,-0.2 -0.652 41.3-125.2 -85.9 144.4 -48.4 40.2 2.6 44 44 A D + 0 0 125 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.565 68.8 129.1 -88.0 71.1 -48.2 36.4 2.6 45 45 A V - 0 0 16 -2,-1.8 2,-0.5 -43,-0.0 -43,-0.2 -0.995 45.7-163.5-132.6 128.7 -45.1 36.5 4.7 46 46 A E E -a 2 0A 115 -45,-3.2 -43,-2.7 -2,-0.4 2,-0.3 -0.979 21.5-152.6-107.6 118.2 -44.3 34.8 8.0 47 47 A L E -a 3 0A 10 -2,-0.5 2,-0.4 -45,-0.2 -43,-0.2 -0.721 10.6-167.0 -89.9 137.7 -41.3 36.5 9.7 48 48 A E E -a 4 0A 57 -45,-2.2 -43,-3.5 -2,-0.3 2,-0.4 -0.999 11.4-152.6-118.5 131.6 -38.9 34.7 12.0 49 49 A F E +a 5 0A 60 -2,-0.4 2,-0.4 -45,-0.2 -43,-0.2 -0.838 17.6 171.5-106.6 135.2 -36.5 36.9 14.1 50 50 A F E -a 6 0A 47 -45,-2.3 -43,-2.9 -2,-0.4 2,-0.4 -0.968 5.7-179.1-144.2 120.0 -33.1 35.8 15.3 51 51 A Q E +a 7 0A 51 -2,-0.4 2,-0.3 -45,-0.2 -43,-0.2 -0.967 12.4 159.3-117.6 145.5 -30.4 37.8 17.0 52 52 A T - 0 0 4 -45,-1.8 -41,-0.2 -2,-0.4 -2,-0.0 -0.974 41.3-148.8-159.2 150.8 -27.0 36.6 18.1 53 53 A N S S+ 0 0 2 -2,-0.3 2,-0.5 -44,-0.1 160,-0.2 0.272 77.8 97.1 -96.9 4.0 -23.5 37.8 19.0 54 54 A F > - 0 0 22 1,-0.1 4,-1.9 156,-0.1 3,-0.3 -0.867 60.8-157.8-103.5 122.6 -22.0 34.5 17.7 55 55 A E H > S+ 0 0 21 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.920 98.2 53.9 -55.5 -45.2 -20.6 34.1 14.2 56 56 A G H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.808 105.2 52.8 -65.4 -32.7 -21.2 30.3 14.4 57 57 A E H > S+ 0 0 70 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.876 108.1 51.1 -70.5 -36.2 -24.9 30.8 15.3 58 58 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.922 112.3 45.8 -62.7 -46.6 -25.4 33.0 12.3 59 59 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.928 111.7 51.6 -65.2 -45.4 -23.9 30.4 10.0 60 60 A D H X S+ 0 0 66 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.886 111.5 49.0 -56.2 -40.2 -25.9 27.6 11.6 61 61 A K H X S+ 0 0 27 -4,-2.0 4,-0.5 2,-0.2 3,-0.2 0.919 109.1 50.5 -68.7 -44.3 -29.1 29.6 11.0 62 62 A I H >< S+ 0 0 4 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.888 109.6 51.6 -58.4 -43.4 -28.3 30.4 7.4 63 63 A Q H >< S+ 0 0 25 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.780 100.5 62.5 -64.6 -30.0 -27.6 26.6 6.8 64 64 A E H >< S+ 0 0 93 -4,-1.2 3,-0.5 1,-0.3 -1,-0.3 0.631 84.8 76.6 -70.1 -15.5 -31.0 25.8 8.4 65 65 A S T << S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.213 73.4 91.3 -76.5 12.5 -32.5 27.9 5.5 66 66 A V T < + 0 0 60 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.1 0.977 67.4 75.5 -66.3 -61.4 -31.8 24.7 3.4 67 67 A G S X S- 0 0 36 -3,-0.5 2,-3.6 -4,-0.2 3,-1.0 -0.160 102.6 -99.1 -58.8 146.3 -35.1 23.0 3.9 68 68 A S T 3 S+ 0 0 120 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.254 104.8 89.3 -66.7 59.0 -38.1 24.3 1.9 69 69 A D T 3 S+ 0 0 100 -2,-3.6 -67,-0.6 1,-0.3 2,-0.4 0.656 81.0 46.8-115.1 -51.6 -39.3 26.3 5.0 70 70 A Y E < -b 2 0A 23 -3,-1.0 -1,-0.3 -6,-0.2 -67,-0.2 -0.829 55.0-177.5-101.1 131.7 -37.5 29.7 4.6 71 71 A E E + 0 0 76 -69,-2.5 2,-0.3 -2,-0.4 -68,-0.2 0.714 66.0 9.7 -96.7 -28.0 -37.5 31.5 1.2 72 72 A G E -b 3 0A 0 -70,-1.2 -68,-2.5 24,-0.1 2,-0.4 -0.991 58.6-140.1-155.5 157.6 -35.4 34.5 2.0 73 73 A I E -bc 4 98A 1 24,-2.2 26,-2.0 -2,-0.3 2,-0.5 -0.962 2.1-163.7-124.5 137.8 -33.1 36.1 4.5 74 74 A I E -bc 5 99A 0 -70,-2.9 -68,-2.5 -2,-0.4 2,-0.4 -0.988 27.1-172.3-116.7 119.2 -32.8 39.8 5.6 75 75 A I E -bc 6 100A 0 24,-3.4 26,-2.3 -2,-0.5 -68,-0.2 -0.950 34.0-178.0-126.4 131.7 -29.6 40.2 7.5 76 76 A N E -b 7 0A 6 -70,-2.6 -68,-3.0 -2,-0.4 -65,-0.1 -0.876 14.8-177.5-111.7 93.8 -27.8 42.8 9.5 77 77 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.478 21.1-156.5 -71.0 -1.5 -24.4 41.1 10.3 78 78 A G T > - 0 0 12 1,-0.3 3,-1.9 -70,-0.2 4,-0.3 -0.293 67.2 -11.2 61.5-141.7 -23.2 44.0 12.4 79 79 A A T >> S+ 0 0 3 -70,-0.3 3,-1.5 1,-0.3 4,-0.6 0.729 128.0 73.3 -65.1 -21.6 -19.4 44.2 12.7 80 80 A F H <> S+ 0 0 1 -3,-1.5 4,-2.4 1,-0.3 -1,-0.3 0.653 79.9 76.4 -66.0 -15.3 -19.1 40.7 11.2 81 81 A S H <4 S+ 0 0 0 -3,-1.9 36,-1.5 1,-0.2 37,-1.0 0.874 99.5 40.9 -56.2 -39.4 -20.0 42.4 7.9 82 82 A H H <4 S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.621 129.2 24.5 -86.4 -15.7 -16.5 43.7 7.8 83 83 A T H < S+ 0 0 34 -4,-0.6 2,-1.2 -3,-0.2 3,-0.2 0.640 90.7 96.3-125.7 -26.7 -14.6 40.6 8.9 84 84 A S X + 0 0 1 -4,-2.4 4,-1.5 1,-0.2 -1,-0.1 -0.602 24.1 161.7 -91.8 95.1 -16.5 37.4 8.3 85 85 A I H > S+ 0 0 2 -2,-1.2 4,-2.5 301,-0.2 -1,-0.2 0.816 81.5 63.8 -65.5 -28.3 -15.5 35.6 5.1 86 86 A A H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 104.2 42.5 -68.4 -41.6 -17.2 32.6 6.8 87 87 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 112.3 55.3 -68.7 -37.4 -20.7 34.3 6.8 88 88 A A H X S+ 0 0 6 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.936 109.6 46.5 -60.5 -45.8 -20.1 35.5 3.3 89 89 A D H X S+ 0 0 13 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.901 110.0 53.1 -62.4 -41.1 -19.4 32.0 2.2 90 90 A A H X S+ 0 0 3 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.914 110.1 48.9 -60.0 -44.5 -22.5 30.7 4.0 91 91 A I H X S+ 0 0 7 -4,-2.7 4,-0.8 1,-0.2 3,-0.5 0.929 111.8 48.2 -57.6 -47.9 -24.6 33.3 2.2 92 92 A M H < S+ 0 0 95 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.876 113.7 48.0 -60.0 -37.7 -23.1 32.3 -1.2 93 93 A L H < S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.720 96.0 73.7 -78.5 -19.9 -23.7 28.6 -0.4 94 94 A A H < S- 0 0 12 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.835 77.4-157.6 -69.4 -35.8 -27.3 29.2 0.7 95 95 A G < + 0 0 74 -4,-0.8 -3,-0.1 -3,-0.4 -1,-0.1 0.790 56.7 105.7 59.4 26.7 -28.6 29.8 -2.9 96 96 A K S S- 0 0 53 -5,-0.4 -1,-0.2 -23,-0.0 -24,-0.1 -0.910 85.9 -83.6-122.5 157.6 -31.7 31.7 -1.6 97 97 A P - 0 0 29 0, 0.0 -24,-2.2 0, 0.0 2,-0.4 -0.402 47.4-172.8 -67.5 134.9 -32.0 35.5 -1.8 98 98 A V E -c 73 0A 8 -26,-0.2 25,-1.4 -2,-0.1 26,-0.9 -0.994 6.5-164.3-130.1 133.4 -30.3 37.4 1.0 99 99 A I E -cd 74 124A 9 -26,-2.0 -24,-3.4 -2,-0.4 2,-0.4 -0.974 11.6-143.5-120.0 134.6 -30.5 41.2 1.5 100 100 A E E -cd 75 125A 0 24,-2.5 26,-2.2 -2,-0.4 2,-0.4 -0.827 15.4-168.1-102.0 136.1 -28.1 43.1 3.8 101 101 A V E - d 0 126A 0 -26,-2.3 2,-0.4 -2,-0.4 26,-0.2 -0.990 8.3-176.5-125.4 133.3 -29.2 46.0 5.9 102 102 A H E - d 0 127A 9 24,-2.7 26,-1.2 -2,-0.4 27,-0.7 -0.994 20.7-150.6-122.5 136.8 -27.2 48.6 7.9 103 103 A L S S+ 0 0 12 -2,-0.4 27,-2.0 24,-0.2 2,-0.2 0.892 85.9 45.0 -64.3 -42.7 -28.8 51.2 10.1 104 104 A T S S- 0 0 22 24,-0.2 2,-1.0 25,-0.1 24,-0.6 -0.568 97.2-100.1-101.0 164.1 -25.9 53.5 9.4 105 105 A N > - 0 0 67 22,-0.3 3,-1.9 23,-0.2 -2,-0.1 -0.768 32.1-166.8 -81.8 101.8 -24.1 54.5 6.1 106 106 A I T 3 S+ 0 0 6 -2,-1.0 3,-0.2 1,-0.3 -1,-0.1 0.433 84.6 64.7 -77.0 -0.5 -21.0 52.3 6.4 107 107 A Q T 3 S+ 0 0 139 1,-0.1 -1,-0.3 7,-0.0 7,-0.1 0.621 102.2 50.9 -81.3 -18.3 -19.4 54.3 3.6 108 108 A A S < S+ 0 0 77 -3,-1.9 -2,-0.2 5,-0.1 -1,-0.1 0.044 103.7 59.5-112.0 23.5 -19.5 57.4 5.9 109 109 A R S S- 0 0 52 1,-0.4 5,-0.1 -3,-0.2 -3,-0.1 -0.261 100.4 -17.8-129.1-149.0 -17.8 56.1 9.0 110 110 A E > - 0 0 67 1,-0.1 3,-1.7 -2,-0.1 4,-0.4 -0.216 60.9-118.1 -60.3 154.0 -14.4 54.6 9.9 111 111 A E G > S+ 0 0 133 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.871 113.0 64.9 -62.4 -30.6 -12.3 53.2 7.1 112 112 A F G 3 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.650 96.7 56.4 -72.8 -10.9 -12.5 49.7 8.7 113 113 A R G < S+ 0 0 5 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.571 85.8 82.4 -91.5 -8.6 -16.3 49.6 8.1 114 114 A K S < S+ 0 0 106 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.1 0.849 75.6 74.9 -70.0 -37.5 -16.1 50.2 4.4 115 115 A N - 0 0 77 -4,-0.4 2,-0.4 -3,-0.1 3,-0.1 -0.596 57.4-177.3 -76.8 134.2 -15.4 46.5 3.4 116 116 A S > + 0 0 20 -2,-0.3 4,-1.9 1,-0.1 -34,-0.2 -0.833 11.5 177.9-131.3 96.4 -18.4 44.2 3.6 117 117 A Y H > S+ 0 0 56 -36,-1.5 4,-0.8 -2,-0.4 -35,-0.1 0.931 88.7 45.9 -55.3 -48.0 -17.5 40.6 2.8 118 118 A T H > S+ 0 0 0 -37,-1.0 4,-1.1 -38,-0.2 3,-0.4 0.863 108.7 53.6 -62.2 -43.2 -21.2 39.7 3.4 119 119 A G H 4 S+ 0 0 7 -38,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.889 104.4 55.4 -66.0 -37.0 -22.7 42.5 1.5 120 120 A A H < S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.769 108.5 50.1 -61.2 -28.6 -20.7 41.5 -1.6 121 121 A A H < S+ 0 0 28 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.688 99.5 83.6 -83.1 -22.7 -22.2 38.0 -1.2 122 122 A C S < S- 0 0 14 -4,-1.1 -23,-0.2 -3,-0.4 3,-0.1 -0.499 82.4-127.7 -81.5 153.3 -25.8 39.4 -1.0 123 123 A G S S+ 0 0 85 -25,-1.4 2,-0.3 -2,-0.2 -24,-0.2 0.860 90.3 10.5 -64.8 -34.4 -27.9 40.3 -3.9 124 124 A G E -d 99 0A 29 -26,-0.9 -24,-2.5 2,-0.0 2,-0.4 -0.980 61.0-152.3-149.7 155.4 -28.6 43.8 -2.5 125 125 A V E -d 100 0A 65 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.991 5.6-171.4-132.0 138.6 -27.5 46.2 0.2 126 126 A I E +d 101 0A 25 -26,-2.2 -24,-2.7 -2,-0.4 2,-0.3 -0.999 17.5 169.6-129.0 129.6 -29.4 48.9 2.0 127 127 A M E +d 102 0A 41 -2,-0.4 -22,-0.3 -26,-0.2 -24,-0.2 -1.000 45.9 23.6-147.9 142.5 -27.7 51.3 4.4 128 128 A G S S+ 0 0 39 -26,-1.2 -23,-0.2 -24,-0.6 -25,-0.2 0.520 81.3 102.7 91.0 12.0 -28.2 54.5 6.3 129 129 A F S > S- 0 0 109 -27,-0.7 3,-1.0 1,-0.3 -26,-0.1 0.314 71.9-142.1-102.3 8.3 -32.0 54.6 6.7 130 130 A G T > S- 0 0 18 -27,-2.0 3,-2.2 -28,-0.3 4,-0.3 -0.261 71.1 -14.7 58.7-152.3 -32.1 53.5 10.3 131 131 A P T >> S+ 0 0 39 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.757 129.9 71.4 -48.2 -36.0 -35.0 51.1 11.2 132 132 A L H X> S+ 0 0 98 -3,-1.0 4,-2.4 1,-0.3 3,-0.6 0.808 82.7 71.2 -54.2 -33.9 -36.8 52.0 7.9 133 133 A G H <> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.836 92.7 56.6 -53.0 -34.0 -34.1 50.0 6.0 134 134 A Y H <> S+ 0 0 0 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.2 0.858 107.7 46.0 -68.5 -35.6 -35.7 46.8 7.3 135 135 A N H - 0 0 0 68,-3.1 3,-1.2 -2,-0.5 4,-0.3 0.225 40.4 -32.9 -84.3-159.7 -9.9 35.8 25.9 163 9 B P T 3 S+ 0 0 2 0, 0.0 70,-0.3 0, 0.0 -1,-0.2 -0.198 121.4 7.4 -68.3 149.3 -8.9 32.9 23.7 164 10 B N T > S+ 0 0 13 1,-0.1 3,-1.5 -3,-0.1 4,-0.1 0.165 93.6 110.7 70.5 -14.6 -6.0 30.7 24.5 165 11 B L G X + 0 0 15 -3,-1.2 3,-1.5 1,-0.3 16,-0.2 0.739 67.0 64.7 -61.6 -29.2 -5.4 32.4 27.9 166 12 B N G 3 S+ 0 0 52 -4,-0.3 -1,-0.3 1,-0.3 15,-0.2 0.682 92.6 65.2 -68.6 -17.4 -6.5 29.3 29.8 167 13 B M G X> S+ 0 0 22 -3,-1.5 3,-1.7 13,-0.1 4,-1.4 0.427 74.3 135.6 -82.1 1.3 -3.4 27.6 28.3 168 14 B L T <4 S+ 0 0 8 -3,-1.5 13,-0.4 1,-0.3 14,-0.2 -0.210 75.8 5.9 -49.9 135.2 -1.1 30.0 30.3 169 15 B G T 34 S+ 0 0 12 8,-0.9 -1,-0.3 2,-0.4 11,-0.1 0.160 120.1 75.7 77.0 -17.7 1.8 28.2 31.9 170 16 B H T <4 S+ 0 0 121 -3,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.698 101.5 29.9 -98.2 -25.0 0.8 24.9 30.3 171 17 B R S < S+ 0 0 66 -4,-1.4 -2,-0.4 6,-0.2 -1,-0.2 -0.989 120.4 2.1-141.5 149.2 2.1 25.8 26.8 172 18 B D >> + 0 0 60 -2,-0.3 4,-2.1 227,-0.1 3,-0.6 0.905 58.4 176.4 36.4 68.3 4.9 28.0 25.5 173 19 B P H 3> S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 6,-0.1 0.790 73.2 66.2 -60.2 -29.6 6.5 29.2 28.8 174 20 B R H 34 S+ 0 0 245 2,-0.2 4,-0.1 1,-0.1 -2,-0.1 0.855 113.4 28.4 -66.4 -32.3 9.2 31.0 26.9 175 21 B L H <4 S+ 0 0 75 -3,-0.6 -1,-0.1 2,-0.1 -3,-0.1 0.902 136.6 22.1 -91.8 -47.9 6.8 33.5 25.4 176 22 B Y H < S- 0 0 52 -4,-2.1 -2,-0.2 1,-0.2 3,-0.1 0.368 105.7-116.5-108.7 2.6 3.9 33.8 27.9 177 23 B G < - 0 0 30 -4,-1.6 -8,-0.9 -5,-0.3 -1,-0.2 -0.086 21.5 -88.0 88.4 172.6 5.5 32.6 31.2 178 24 B M S S+ 0 0 132 -10,-0.1 2,-0.3 -5,-0.1 -1,-0.1 0.573 90.0 105.2 -98.4 -13.1 5.0 29.8 33.6 179 25 B V - 0 0 51 -3,-0.1 -10,-0.2 -6,-0.1 -9,-0.1 -0.545 66.8-137.1 -71.5 127.5 2.3 31.5 35.7 180 26 B T > - 0 0 23 -2,-0.3 4,-2.1 -11,-0.1 5,-0.2 -0.326 21.1-107.8 -82.2 167.1 -1.2 30.1 35.0 181 27 B L H > S+ 0 0 12 -13,-0.4 4,-2.1 -16,-0.2 5,-0.2 0.932 122.2 52.5 -62.4 -45.1 -4.4 32.0 34.6 182 28 B D H > S+ 0 0 132 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 108.4 51.1 -55.7 -43.9 -5.6 30.7 38.0 183 29 B Q H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 107.2 53.3 -61.9 -39.2 -2.4 32.0 39.5 184 30 B I H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.910 108.3 51.0 -61.7 -40.1 -2.8 35.5 37.9 185 31 B H H X S+ 0 0 18 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.838 108.7 49.5 -72.6 -30.2 -6.3 35.7 39.4 186 32 B E H X S+ 0 0 122 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.900 108.7 54.8 -68.8 -40.7 -5.0 34.8 42.9 187 33 B I H X S+ 0 0 64 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.762 106.8 51.2 -60.5 -30.4 -2.3 37.5 42.5 188 34 B M H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.877 110.2 47.8 -75.6 -40.1 -5.1 40.0 41.7 189 35 B Q H X S+ 0 0 64 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.924 110.2 52.5 -66.0 -44.8 -7.0 39.0 44.9 190 36 B T H X S+ 0 0 37 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.824 109.3 50.7 -56.8 -33.9 -3.8 39.3 46.9 191 37 B F H < S+ 0 0 72 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 108.6 50.5 -75.2 -37.2 -3.3 42.8 45.5 192 38 B V H <>S+ 0 0 11 -4,-1.8 5,-2.1 2,-0.1 3,-0.3 0.826 115.4 44.7 -64.9 -35.0 -6.9 43.9 46.4 193 39 B K H ><5S+ 0 0 127 -4,-1.9 3,-3.7 1,-0.2 -2,-0.2 0.992 108.1 52.3 -72.9 -64.4 -6.3 42.6 50.0 194 40 B Q T 3<5S+ 0 0 170 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.383 120.8 37.3 -61.7 4.4 -2.9 44.0 50.7 195 41 B G T 3 5S- 0 0 44 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.220 104.3-126.9-129.6 10.0 -4.2 47.5 49.6 196 42 B N T < 5 + 0 0 154 -3,-3.7 2,-0.4 1,-0.2 -3,-0.2 0.851 40.4 175.3 41.1 50.7 -7.8 47.2 51.1 197 43 B L < - 0 0 44 -5,-2.1 2,-2.2 -6,-0.2 -1,-0.2 -0.670 36.9-131.2 -80.0 129.0 -9.5 48.0 47.8 198 44 B D + 0 0 128 -2,-0.4 2,-0.4 2,-0.0 -1,-0.1 -0.613 65.8 132.3 -80.2 79.7 -13.3 47.7 48.3 199 45 B V - 0 0 12 -2,-2.2 2,-0.5 -7,-0.1 -43,-0.2 -0.997 46.3-159.8-138.4 129.3 -13.3 45.7 45.1 200 46 B E E -e 156 0B 111 -45,-3.8 -43,-2.0 -2,-0.4 2,-0.3 -0.975 20.8-147.6-112.2 117.2 -15.0 42.3 44.4 201 47 B L E -e 157 0B 23 -2,-0.5 2,-0.4 -45,-0.2 -43,-0.2 -0.595 12.6-168.4 -86.4 140.3 -13.4 40.5 41.4 202 48 B E E -e 158 0B 50 -45,-2.1 -43,-3.2 -2,-0.3 2,-0.4 -0.998 12.6-153.1-123.0 131.8 -15.3 38.2 38.9 203 49 B F E +e 159 0B 58 -2,-0.4 2,-0.3 -45,-0.2 -43,-0.2 -0.828 16.6 172.6-108.7 138.1 -13.2 36.1 36.5 204 50 B F E -e 160 0B 43 -45,-2.3 -43,-2.7 -2,-0.4 2,-0.4 -0.928 5.3-177.0-147.3 120.5 -14.3 34.8 33.1 205 51 B Q E +e 161 0B 54 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.2 -0.949 13.8 157.8-117.2 140.2 -12.3 33.1 30.4 206 52 B T - 0 0 5 -45,-2.2 -41,-0.2 -2,-0.4 -2,-0.0 -0.992 42.1-150.6-158.3 152.9 -13.5 32.0 27.0 207 53 B N S S+ 0 0 2 -2,-0.3 2,-0.6 -44,-0.2 159,-0.2 0.277 77.6 96.2 -97.5 1.5 -12.4 31.1 23.4 208 54 B F > - 0 0 22 1,-0.1 4,-1.6 155,-0.1 5,-0.1 -0.869 60.7-157.9-101.1 120.6 -15.7 32.4 22.1 209 55 B E H > S+ 0 0 20 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.901 97.5 53.0 -54.4 -44.1 -16.0 35.9 20.7 210 56 B G H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.824 104.7 53.8 -68.8 -32.8 -19.8 35.9 21.3 211 57 B E H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 108.0 51.1 -67.8 -36.4 -19.4 34.8 24.9 212 58 B I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.920 113.1 44.9 -62.8 -43.3 -17.1 37.8 25.4 213 59 B I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.936 112.6 51.3 -67.7 -44.3 -19.8 40.1 23.8 214 60 B D H X S+ 0 0 70 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.902 112.5 47.5 -55.2 -41.9 -22.6 38.4 25.9 215 61 B K H X S+ 0 0 31 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.880 109.2 51.1 -70.9 -42.8 -20.6 39.0 29.0 216 62 B I H < S+ 0 0 3 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.859 111.0 50.2 -59.9 -37.9 -19.8 42.7 28.2 217 63 B Q H >< S+ 0 0 23 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.800 101.6 61.6 -69.4 -33.2 -23.5 43.2 27.6 218 64 B E H >< S+ 0 0 91 -4,-1.4 3,-0.9 1,-0.3 -1,-0.2 0.788 88.1 73.2 -61.2 -29.3 -24.3 41.6 31.0 219 65 B S T 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.422 74.0 90.8 -71.0 4.3 -22.3 44.4 32.5 220 66 B V T < + 0 0 64 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.959 68.5 77.1 -58.7 -57.1 -25.3 46.6 31.7 221 67 B G S X S- 0 0 33 -3,-0.9 2,-4.4 -4,-0.2 3,-0.9 -0.326 104.4 -98.8 -62.0 140.3 -27.1 46.1 35.0 222 68 B S T 3 S+ 0 0 122 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.201 104.0 91.4 -61.4 58.6 -25.7 48.1 38.0 223 69 B D T 3 S+ 0 0 85 -2,-4.4 -67,-0.5 1,-0.3 2,-0.4 0.661 81.3 44.4-107.7 -62.5 -23.7 45.1 39.2 224 70 B Y < - 0 0 25 -3,-0.9 -1,-0.3 -6,-0.2 -67,-0.2 -0.728 57.9-175.0 -95.2 128.0 -20.4 45.5 37.4 225 71 B E + 0 0 80 -69,-2.5 2,-0.3 -2,-0.4 -68,-0.2 0.706 66.6 6.1 -94.4 -25.5 -18.8 48.9 37.4 226 72 B G E -f 157 0B 0 -70,-1.0 -68,-2.4 24,-0.2 2,-0.4 -0.991 60.7-133.9-154.5 160.0 -15.7 48.2 35.2 227 73 B I E -fg 158 252B 1 24,-2.7 26,-2.0 -2,-0.3 2,-0.5 -0.969 3.2-163.5-121.1 136.1 -14.1 45.6 33.0 228 74 B I E -fg 159 253B 0 -70,-2.9 -68,-2.5 -2,-0.4 2,-0.4 -0.982 28.9-175.4-109.1 115.7 -10.4 44.5 32.8 229 75 B I E -fg 160 254B 0 24,-3.0 26,-2.6 -2,-0.5 -68,-0.2 -0.946 33.3-177.1-125.6 132.2 -10.0 42.6 29.5 230 76 B N E -f 161 0B 7 -70,-2.4 -68,-3.1 -2,-0.4 -65,-0.1 -0.885 14.3-174.4-114.3 95.5 -7.3 40.7 27.7 231 77 B P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.1 0.431 19.3-154.3 -70.7 -2.4 -9.0 39.9 24.4 232 78 B G T > - 0 0 14 1,-0.3 3,-1.8 -70,-0.2 4,-0.2 -0.308 69.4 -14.0 64.7-144.8 -6.1 37.7 23.2 233 79 B A T >> S+ 0 0 4 -70,-0.3 3,-1.2 1,-0.3 4,-0.6 0.629 127.5 75.7 -65.7 -15.2 -5.9 37.5 19.4 234 80 B F H <> S+ 0 0 1 -3,-1.7 4,-3.1 1,-0.3 3,-0.4 0.708 79.3 75.6 -71.0 -18.1 -9.5 39.0 19.1 235 81 B S H <4 S+ 0 0 0 -3,-1.8 36,-1.8 1,-0.2 37,-1.0 0.862 100.4 40.6 -53.5 -40.7 -7.8 42.3 19.9 236 82 B H H <4 S+ 0 0 14 -3,-1.2 -1,-0.2 34,-0.2 -2,-0.2 0.627 129.8 24.8 -87.5 -17.6 -6.4 42.4 16.4 237 83 B T H < S+ 0 0 34 -4,-0.6 2,-1.3 -3,-0.4 3,-0.2 0.661 91.0 95.6-122.2 -27.3 -9.5 41.1 14.5 238 84 B S X + 0 0 1 -4,-3.1 4,-2.0 1,-0.2 5,-0.1 -0.549 23.2 159.9 -91.5 88.8 -12.8 41.8 16.5 239 85 B I H > S+ 0 0 1 -2,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.799 82.7 62.2 -60.4 -30.2 -14.6 45.0 15.5 240 86 B A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.956 105.3 42.1 -66.2 -45.6 -17.6 43.3 17.1 241 87 B I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.914 112.8 55.1 -67.1 -40.5 -15.9 43.2 20.6 242 88 B A H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.917 109.7 46.4 -57.6 -44.8 -14.6 46.8 20.0 243 89 B D H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.894 109.7 53.8 -63.5 -40.9 -18.2 47.9 19.4 244 90 B A H X S+ 0 0 3 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.930 109.5 49.7 -59.5 -42.3 -19.5 46.0 22.5 245 91 B I H >X S+ 0 0 7 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.958 111.8 47.7 -57.9 -50.4 -16.8 47.9 24.5 246 92 B M H 3< S+ 0 0 77 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.853 113.6 46.6 -59.5 -38.9 -18.0 51.2 23.0 247 93 B L H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.654 95.7 77.8 -80.8 -14.7 -21.7 50.5 23.7 248 94 B A H << S- 0 0 5 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.840 77.7-155.0 -69.1 -36.6 -21.0 49.3 27.3 249 95 B G < + 0 0 61 -4,-0.7 -3,-0.1 -3,-0.4 -2,-0.1 0.894 58.1 101.6 60.6 39.2 -20.6 52.8 28.8 250 96 B K S S- 0 0 42 -5,-0.4 -1,-0.2 -23,-0.0 -24,-0.2 -0.961 86.2 -83.3-140.2 153.3 -18.5 51.6 31.7 251 97 B P - 0 0 25 0, 0.0 -24,-2.7 0, 0.0 2,-0.4 -0.318 46.7-174.3 -60.9 135.6 -14.7 51.9 32.0 252 98 B V E -g 227 0B 7 -26,-0.2 25,-2.0 23,-0.1 26,-0.7 -0.986 6.2-166.4-129.2 143.7 -12.8 49.1 30.2 253 99 B I E -gh 228 278B 6 -26,-2.0 -24,-3.0 -2,-0.4 2,-0.4 -0.998 12.3-142.1-134.4 131.3 -9.0 48.6 30.4 254 100 B E E -gh 229 279B 0 24,-2.3 26,-2.4 -2,-0.4 2,-0.4 -0.814 16.0-170.5 -99.7 137.7 -7.1 46.4 28.1 255 101 B V E - h 0 280B 0 -26,-2.6 2,-0.4 -2,-0.4 26,-0.2 -0.977 7.5-175.5-126.9 137.5 -4.2 44.2 29.1 256 102 B H E - h 0 281B 8 24,-2.4 26,-1.1 -2,-0.4 27,-0.6 -0.995 22.0-147.5-124.8 139.4 -1.7 42.2 27.2 257 103 B L S S+ 0 0 15 -2,-0.4 27,-2.0 24,-0.2 2,-0.2 0.893 85.7 46.7 -64.4 -42.6 1.0 40.0 28.7 258 104 B T S S- 0 0 21 25,-0.1 2,-1.1 24,-0.1 24,-0.6 -0.511 96.9 -98.9-100.9 164.9 3.4 40.7 25.8 259 105 B N > - 0 0 69 23,-0.2 3,-2.1 22,-0.2 4,-0.1 -0.761 32.7-167.7 -82.4 99.7 4.4 43.9 24.1 260 106 B I T 3 S+ 0 0 7 -2,-1.1 -1,-0.1 1,-0.3 3,-0.1 0.423 85.1 62.8 -75.4 0.6 2.2 43.8 21.0 261 107 B Q T 3 S+ 0 0 140 1,-0.1 -1,-0.3 7,-0.0 7,-0.1 0.529 104.1 50.8 -84.6 -11.4 4.3 46.6 19.4 262 108 B A S < S+ 0 0 76 -3,-2.1 -2,-0.2 5,-0.1 -1,-0.1 0.186 102.8 60.1-116.2 15.3 7.3 44.2 19.4 263 109 B R S S- 0 0 50 1,-0.4 5,-0.1 -3,-0.1 -3,-0.0 -0.195 100.4 -20.6-118.5-147.5 6.0 41.0 17.8 264 110 B E > - 0 0 63 1,-0.1 3,-1.6 -2,-0.1 4,-0.4 -0.177 61.7-115.3 -59.2 156.7 4.5 40.2 14.4 265 111 B E G > S+ 0 0 140 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.861 113.2 64.5 -62.6 -33.5 3.1 43.0 12.2 266 112 B F G 3 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.1 126,-0.1 0.567 97.1 56.9 -69.0 -11.2 -0.4 41.4 12.5 267 113 B R G < S+ 0 0 4 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.546 85.7 79.8 -91.5 -8.3 -0.5 42.0 16.3 268 114 B K S < S+ 0 0 106 -3,-1.5 2,-0.2 -4,-0.4 -2,-0.1 0.897 77.0 76.9 -72.6 -39.1 0.1 45.8 16.2 269 115 B N - 0 0 77 -4,-0.5 2,-0.3 -33,-0.1 3,-0.1 -0.538 57.5-178.8 -67.3 133.8 -3.6 46.7 15.3 270 116 B S > + 0 0 19 -2,-0.2 4,-1.8 1,-0.1 -34,-0.2 -0.839 13.4 177.8-131.1 101.5 -5.9 46.5 18.3 271 117 B Y H > S+ 0 0 58 -36,-1.8 4,-0.8 -2,-0.3 -35,-0.1 0.934 89.7 47.7 -59.5 -44.8 -9.5 47.4 17.5 272 118 B T H >> S+ 0 0 0 -37,-1.0 4,-1.2 1,-0.2 3,-0.9 0.909 107.8 53.3 -61.1 -46.4 -10.4 46.6 21.1 273 119 B G H >4 S+ 0 0 8 1,-0.3 3,-0.5 -38,-0.3 -1,-0.2 0.890 105.4 55.0 -60.5 -38.3 -7.6 48.7 22.6 274 120 B A H 3< S+ 0 0 88 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.720 107.9 49.3 -63.1 -29.8 -8.7 51.7 20.6 275 121 B A H << S+ 0 0 30 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.629 100.7 85.9 -82.6 -20.0 -12.2 51.4 22.1 276 122 B C S << S- 0 0 18 -4,-1.2 -23,-0.2 -3,-0.5 3,-0.1 -0.339 83.7-123.4 -83.8 163.6 -10.8 51.1 25.7 277 123 B G S S- 0 0 80 -25,-2.0 2,-0.3 1,-0.2 -24,-0.2 0.848 91.4 -5.0 -73.6 -31.9 -9.8 54.0 28.0 278 124 B G E -h 253 0B 31 -26,-0.7 -24,-2.3 2,-0.0 2,-0.4 -0.980 62.2-142.5-159.6 168.1 -6.3 52.7 28.3 279 125 B V E -h 254 0B 62 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.988 7.6-165.6-142.3 139.2 -4.1 49.9 27.4 280 126 B I E +h 255 0B 25 -26,-2.4 -24,-2.4 -2,-0.4 2,-0.3 -0.995 16.6 168.9-129.5 132.2 -1.3 48.0 29.1 281 127 B M E +h 256 0B 38 -2,-0.4 -22,-0.2 -26,-0.2 -24,-0.2 -0.995 46.0 24.0-149.4 146.3 1.3 45.7 27.6 282 128 B G S S+ 0 0 38 -26,-1.1 -23,-0.2 -24,-0.6 -25,-0.2 0.450 82.7 99.5 94.5 2.8 4.5 43.9 28.1 283 129 B F S > S- 0 0 115 -27,-0.6 3,-0.9 1,-0.3 -25,-0.1 0.366 72.7-142.2-100.0 6.1 4.5 43.5 31.9 284 130 B G T > - 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0 0 76 -4,-0.5 2,-0.3 -33,-0.1 0, 0.0 -0.546 57.0-179.4 -68.4 132.1 -3.5 34.9 3.5 423 116 C S > + 0 0 19 -2,-0.3 4,-2.0 1,-0.1 -34,-0.3 -0.807 13.7 175.3-132.2 97.0 -3.5 31.8 5.9 424 117 C Y H > S+ 0 0 56 -36,-1.5 4,-0.9 -2,-0.3 -35,-0.2 0.931 87.9 47.7 -58.3 -46.5 -2.7 32.6 9.5 425 118 C T H > S+ 0 0 0 -37,-1.3 4,-1.1 1,-0.2 3,-0.5 0.896 109.2 50.9 -64.8 -41.4 -3.5 29.0 10.4 426 119 C G H 4 S+ 0 0 8 -38,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.863 104.8 57.1 -68.5 -33.1 -1.4 27.5 7.6 427 120 C A H < S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.764 108.7 48.9 -60.0 -30.4 1.6 29.6 8.6 428 121 C A H < S+ 0 0 22 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.650 99.6 82.2 -87.1 -18.4 1.2 27.9 12.1 429 122 C C S < S- 0 0 14 -4,-1.1 -23,-0.2 -3,-0.3 3,-0.1 -0.463 81.5-126.9 -82.8 158.2 1.0 24.3 10.7 430 123 C G S S+ 0 0 86 -25,-1.6 2,-0.3 1,-0.2 -24,-0.2 0.888 91.2 12.6 -67.7 -35.4 4.0 22.2 9.7 431 124 C G E -l 406 0C 28 -26,-0.9 -24,-2.2 2,-0.0 2,-0.4 -0.980 62.7-153.9-146.0 154.6 2.5 21.5 6.3 432 125 C V E -l 407 0C 65 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.989 5.5-171.9-133.5 139.4 -0.2 22.6 4.0 433 126 C I E +l 408 0C 27 -26,-2.1 -24,-2.3 -2,-0.4 2,-0.3 -0.997 16.3 164.8-130.4 131.9 -2.1 20.8 1.3 434 127 C M E +l 409 0C 52 -2,-0.4 -22,-0.2 -26,-0.2 -24,-0.2 -0.999 46.4 28.6-151.1 142.1 -4.5 22.5 -1.1 435 128 C G S S+ 0 0 39 -26,-1.3 -23,-0.2 -24,-0.6 -25,-0.2 0.449 81.1 99.3 97.2 1.1 -6.2 22.0 -4.4 436 129 C F S > S- 0 0 112 -27,-0.6 3,-0.9 1,-0.3 -25,-0.1 0.330 74.6-140.3 -96.8 5.3 -6.6 18.2 -4.6 437 130 C G T > S- 0 0 17 -27,-2.0 3,-1.9 -28,-0.3 -1,-0.3 -0.341 70.4 -15.6 59.3-149.2 -10.3 18.1 -3.4 438 131 C P T >> S+ 0 0 43 0, 0.0 3,-2.2 0, 0.0 4,-0.7 0.798 129.4 71.2 -53.1 -35.9 -11.1 15.2 -1.0 439 132 C L H <> S+ 0 0 100 -3,-0.9 4,-2.3 1,-0.3 3,-0.4 0.779 83.2 74.2 -52.4 -29.3 -7.9 13.3 -1.9 440 133 C G H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.815 90.5 54.7 -55.8 -30.8 -6.1 16.0 0.0 441 134 C Y H <> S+ 0 0 0 -3,-2.2 4,-1.9 -4,-0.3 -1,-0.2 0.860 107.4 48.8 -74.0 -33.8 -7.3 14.5 3.3 442 135 C N H X S+ 0 0 24 -4,-0.7 4,-2.4 -3,-0.4 -2,-0.2 0.865 109.6 53.5 -69.3 -36.2 -5.8 11.1 2.4 443 136 C M H X S+ 0 0 60 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.918 108.6 49.4 -60.9 -44.7 -2.6 12.8 1.5 444 137 C A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.880 109.3 51.8 -63.2 -40.9 -2.7 14.4 5.0 445 138 C L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.943 108.7 50.6 -59.1 -48.8 -3.3 11.0 6.6 446 139 C M H X S+ 0 0 112 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.890 114.9 45.1 -54.3 -42.1 -0.3 9.5 4.8 447 140 C A H X S+ 0 0 33 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.922 110.7 50.7 -71.2 -47.0 1.8 12.4 6.0 448 141 C M H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.897 111.1 49.4 -61.7 -40.9 0.6 12.4 9.6 449 142 C V H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.919 113.7 45.5 -66.3 -42.3 1.3 8.6 9.9 450 143 C N H X S+ 0 0 88 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.882 114.4 49.8 -65.6 -36.7 4.8 9.1 8.5 451 144 C I H X S+ 0 0 66 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.917 115.2 41.8 -67.6 -45.4 5.4 12.1 10.7 452 145 C L H >X S+ 0 0 10 -4,-2.8 4,-1.9 2,-0.2 3,-1.4 0.985 113.3 52.4 -67.1 -60.1 4.2 10.3 13.9 453 146 C A H >X S+ 0 0 53 -4,-2.5 4,-1.8 1,-0.3 3,-0.7 0.905 112.7 46.5 -33.5 -62.3 6.1 7.1 13.0 454 147 C E H 3X S+ 0 0 147 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.729 110.5 54.2 -57.0 -27.6 9.3 9.1 12.5 455 148 C M H << S+ 0 0 76 -3,-1.4 4,-0.3 -4,-1.1 -1,-0.2 0.803 107.0 48.8 -76.0 -35.2 8.6 11.0 15.8 456 149 C K H << S+ 0 0 172 -4,-1.9 3,-0.3 -3,-0.7 -2,-0.2 0.810 110.9 51.2 -75.9 -34.3 8.3 7.8 17.9 457 150 C A H < S+ 0 0 88 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.894 108.1 51.8 -64.6 -43.2 11.6 6.4 16.4 458 151 C F < 0 0 195 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.586 360.0 360.0 -72.4 -9.8 13.4 9.7 17.2 459 152 C Q 0 0 177 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.283 360.0 360.0-100.2 360.0 12.2 9.4 20.9