==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUL-97 7PTD . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR D.W.HEINZ . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.1 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 . 3 1.0 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 . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 1 1 0 0 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 A 0 0 63 0, 0.0 5,-0.2 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 106.8 28.7 63.7 99.0 2 2 A S + 0 0 137 2,-0.0 4,-0.0 4,-0.0 0, 0.0 0.644 360.0 85.2 -22.0 -47.4 29.0 65.9 102.1 3 3 A S - 0 0 33 1,-0.1 3,-0.1 2,-0.1 4,-0.1 -0.121 60.9-156.0 -67.7 156.5 25.4 65.2 103.3 4 4 A V S > S+ 0 0 70 1,-0.1 3,-2.2 2,-0.1 4,-0.4 0.702 86.9 82.2 -96.8 -29.4 24.2 62.3 105.4 5 5 A N T 3 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.432 74.9 76.9 -55.3 -4.6 20.7 62.7 104.0 6 6 A E T > S+ 0 0 51 -5,-0.2 3,-2.1 1,-0.2 -1,-0.3 0.835 81.6 62.6 -77.4 -34.7 21.9 60.7 101.0 7 7 A L T < S+ 0 0 3 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.758 93.2 66.6 -61.2 -24.7 21.7 57.3 102.8 8 8 A E T 3 S+ 0 0 81 -4,-0.4 2,-1.0 1,-0.1 -1,-0.3 0.671 82.5 85.4 -70.3 -17.0 18.0 58.0 103.1 9 9 A N X - 0 0 75 -3,-2.1 3,-1.3 1,-0.2 4,-0.3 -0.758 64.8-167.5 -90.9 99.9 17.8 57.7 99.3 10 10 A W T 3 S+ 0 0 48 -2,-1.0 52,-0.6 1,-0.3 3,-0.2 0.683 82.3 51.0 -60.9 -25.9 17.4 53.9 98.8 11 11 A S T 3 S+ 0 0 26 49,-0.2 -1,-0.3 1,-0.2 97,-0.2 0.541 126.1 23.0 -91.3 -9.0 18.1 53.9 95.0 12 12 A K S X S+ 0 0 54 -3,-1.3 3,-1.6 -6,-0.2 -2,-0.2 0.007 76.5 128.7-146.1 32.3 21.3 55.9 95.3 13 13 A W T 3 S+ 0 0 0 -4,-0.3 4,-0.3 1,-0.3 -3,-0.1 0.704 70.4 62.3 -65.6 -19.5 22.6 55.4 98.8 14 14 A M T 3 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.1 -7,-0.1 0.299 83.7 83.1 -89.2 9.5 26.1 54.4 97.6 15 15 A Q S < S+ 0 0 91 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.915 87.5 47.8 -78.3 -47.7 26.6 57.8 96.1 16 16 A P S S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.747 91.9 99.1 -66.5 -22.7 27.8 59.7 99.2 17 17 A I S S- 0 0 1 -4,-0.3 279,-0.1 279,-0.1 4,-0.0 -0.457 86.6-102.9 -69.7 131.5 30.2 56.9 100.1 18 18 A P > - 0 0 53 0, 0.0 2,-1.5 0, 0.0 3,-1.4 -0.247 21.5-123.6 -56.2 137.7 33.9 57.5 99.0 19 19 A D T 3 S+ 0 0 76 1,-0.3 133,-0.2 132,-0.2 131,-0.1 -0.040 105.4 66.1 -73.9 37.6 35.1 55.7 95.9 20 20 A S T 3 + 0 0 73 -2,-1.5 -1,-0.3 131,-0.1 130,-0.0 0.176 69.8 108.3-143.3 13.3 37.9 54.2 98.1 21 21 A I S < S- 0 0 25 -3,-1.4 130,-2.8 -4,-0.0 2,-0.2 -0.822 71.3-120.5 -98.3 131.7 36.0 52.0 100.5 22 22 A P B >> -A 150 0A 8 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.541 22.6-122.0 -69.7 137.5 36.4 48.2 100.0 23 23 A L T 34 S+ 0 0 0 126,-3.7 5,-0.2 1,-0.3 3,-0.1 0.820 113.0 63.4 -47.7 -31.1 33.0 46.7 99.4 24 24 A A T 34 S+ 0 0 2 125,-0.3 205,-0.4 1,-0.2 -1,-0.3 0.839 99.4 51.0 -62.7 -37.3 33.8 44.6 102.5 25 25 A R T <4 S+ 0 0 7 -3,-1.7 244,-0.3 200,-0.2 -1,-0.2 0.818 92.9 88.9 -71.6 -34.3 33.9 47.6 104.8 26 26 A I S < S- 0 0 0 -4,-1.2 2,-1.2 -3,-0.1 241,-0.1 -0.401 82.3-126.2 -68.7 139.7 30.5 48.9 103.6 27 27 A S - 0 0 0 239,-0.2 243,-0.2 261,-0.2 -1,-0.1 -0.781 39.3-179.6 -88.3 96.5 27.5 47.7 105.5 28 28 A I - 0 0 0 -2,-1.2 243,-1.2 -5,-0.2 2,-0.3 -0.879 22.1-137.6-104.7 126.0 25.5 46.4 102.6 29 29 A P E -b 271 0B 0 0, 0.0 35,-2.3 0, 0.0 36,-0.7 -0.627 27.4-172.0 -80.4 140.3 22.0 44.9 103.0 30 30 A G E -bc 272 65B 0 241,-2.3 243,-0.7 -2,-0.3 2,-0.3 -0.365 18.8-121.7-115.0-164.8 21.3 41.8 101.0 31 31 A T E > -bc 273 66B 1 34,-1.1 36,-1.7 241,-0.2 3,-0.5 -0.980 20.5-130.8-145.3 133.2 18.4 39.4 100.1 32 32 A H T 3 S- 0 0 23 241,-2.9 243,-0.2 -2,-0.3 18,-0.1 -0.765 83.7 -13.0 -93.5 126.5 18.3 35.7 100.7 33 33 A D T > S- 0 0 4 -2,-0.5 3,-0.8 1,-0.1 17,-0.3 0.915 80.8-173.2 51.5 48.5 17.2 33.3 97.8 34 34 A S G X + 0 0 0 -3,-0.5 3,-0.8 33,-0.3 2,-0.5 0.698 65.6 69.3 -41.9 -41.2 16.0 36.4 95.9 35 35 A G G 3 S+ 0 0 4 32,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.024 74.3 88.8 -77.5 32.6 14.3 34.6 93.0 36 36 A T G X + 0 0 0 -3,-0.8 3,-1.3 -2,-0.5 15,-0.3 0.343 51.3 101.0-109.2 6.0 11.4 33.2 95.0 37 37 A F T < S+ 0 0 28 -3,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.711 76.5 59.5 -63.3 -23.4 9.0 36.1 94.7 38 38 A K T 3 S+ 0 0 81 49,-0.3 -1,-0.2 -3,-0.2 2,-0.2 0.582 71.2 121.5 -82.8 -13.3 6.9 34.4 91.9 39 39 A L < + 0 0 8 -3,-1.3 12,-0.1 1,-0.2 48,-0.0 -0.368 24.7 160.4 -56.5 117.4 6.0 31.3 94.0 40 40 A Q + 0 0 161 -2,-0.2 -1,-0.2 5,-0.0 5,-0.1 0.529 36.7 106.6-116.1 -14.6 2.2 31.3 94.1 41 41 A N >> - 0 0 79 1,-0.1 4,-2.2 2,-0.1 3,-0.6 -0.614 65.8-142.0 -75.5 114.2 1.5 27.6 95.1 42 42 A P H 3> S+ 0 0 95 0, 0.0 4,-1.4 0, 0.0 198,-0.2 0.752 101.1 43.6 -43.2 -41.6 0.4 27.6 98.8 43 43 A I H 34 S+ 0 0 123 2,-0.2 5,-0.1 1,-0.2 197,-0.1 0.832 115.7 48.1 -78.2 -33.0 2.3 24.4 99.6 44 44 A K H <>>S+ 0 0 57 -3,-0.6 4,-2.8 1,-0.1 5,-0.7 0.749 108.5 58.6 -77.6 -22.0 5.4 25.6 97.8 45 45 A Q H <5S+ 0 0 63 -4,-2.2 4,-0.2 3,-0.2 -2,-0.2 0.957 98.1 52.6 -72.1 -55.5 5.1 28.9 99.5 46 46 A V T <5S+ 0 0 36 -4,-1.4 194,-0.2 1,-0.2 -1,-0.2 0.462 125.3 30.6 -63.3 2.2 5.3 27.9 103.2 47 47 A W T 45S+ 0 0 150 -3,-0.4 -2,-0.2 192,-0.2 -1,-0.2 0.663 131.2 23.6-123.2 -52.3 8.5 26.0 102.2 48 48 A G T <5S+ 0 0 0 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.939 90.7 96.2 -87.3 -52.6 10.3 27.8 99.3 49 49 A M < + 0 0 21 -5,-0.7 197,-0.1 -4,-0.2 -12,-0.1 -0.138 25.9 155.0 -51.9 124.0 9.2 31.5 99.3 50 50 A T + 0 0 6 -17,-0.3 225,-2.9 195,-0.1 2,-0.3 0.179 66.6 45.2-129.5 7.5 11.6 33.9 101.1 51 51 A Q - 0 0 0 -15,-0.3 -12,-0.1 223,-0.2 3,-0.1 -0.968 47.0-171.8-149.7 161.5 10.6 37.0 99.1 52 52 A E S S+ 0 0 51 -2,-0.3 2,-0.4 224,-0.3 -1,-0.1 0.428 71.0 61.6-134.8 -7.2 7.4 38.8 97.9 53 53 A Y S S- 0 0 79 223,-0.1 -1,-0.2 -19,-0.1 5,-0.2 -0.992 82.0-108.0-132.1 134.0 8.7 41.5 95.5 54 54 A D > - 0 0 71 -2,-0.4 4,-2.4 1,-0.1 3,-0.4 0.128 44.0 -87.2 -50.9 164.0 10.8 41.3 92.3 55 55 A F H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.638 125.6 54.5 -47.7 -26.6 14.4 42.2 91.8 56 56 A R H > S+ 0 0 54 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.945 109.0 43.9 -78.1 -49.7 13.6 45.8 91.1 57 57 A Y H 4 S+ 0 0 44 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.925 113.8 57.6 -57.2 -40.4 11.6 46.4 94.3 58 58 A Q H ><>S+ 0 0 0 -4,-2.4 5,-1.3 1,-0.2 3,-0.8 0.926 114.6 31.7 -55.3 -55.9 14.4 44.6 96.0 59 59 A M H ><5S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.664 108.7 68.8 -79.4 -16.3 17.2 46.8 94.9 60 60 A D T 3<5S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.259 98.4 57.5 -80.5 8.9 15.0 49.9 94.9 61 61 A H T < 5S- 0 0 12 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.088 131.2 -89.7-124.5 19.4 15.0 49.3 98.7 62 62 A G T < 5S+ 0 0 0 -3,-1.3 2,-0.2 -52,-0.6 -3,-0.2 0.141 79.2 143.9 93.7 -20.0 18.8 49.5 99.2 63 63 A A < + 0 0 0 -5,-1.3 -1,-0.3 1,-0.1 -33,-0.2 -0.365 14.4 165.9 -58.9 119.4 19.4 45.8 98.7 64 64 A R + 0 0 0 -35,-2.3 47,-2.7 -2,-0.2 2,-0.4 0.295 55.1 66.8-118.4 5.5 22.8 45.5 96.8 65 65 A I E -cd 30 111B 9 -36,-0.7 -34,-1.1 45,-0.2 2,-0.5 -0.992 61.7-165.1-132.8 126.4 23.5 41.8 97.3 66 66 A F E -cd 31 112B 0 45,-2.1 47,-2.1 -2,-0.4 2,-1.5 -0.946 18.3-141.1-121.5 124.1 21.4 39.0 95.7 67 67 A D E - d 0 113B 7 -36,-1.7 2,-0.6 -2,-0.5 -32,-0.4 -0.604 30.5-175.0 -80.8 86.9 21.5 35.3 96.7 68 68 A I E + d 0 114B 2 45,-1.8 47,-1.5 -2,-1.5 2,-0.4 -0.758 8.7 176.6 -93.6 119.1 21.2 33.7 93.2 69 69 A R E + d 0 115B 31 -2,-0.6 12,-2.2 12,-0.2 2,-0.2 -0.972 15.0 158.3-120.6 131.5 20.9 29.9 93.0 70 70 A G E -Ed 80 116B 0 45,-2.3 47,-1.4 -2,-0.4 48,-1.0 -0.787 28.7-133.0-143.4-174.5 20.4 28.2 89.6 71 71 A R E -E 79 0B 22 8,-2.0 8,-1.7 -2,-0.2 2,-0.5 -0.985 26.2-111.0-145.1 152.3 20.6 25.1 87.4 72 72 A L E -E 78 0B 0 -2,-0.3 49,-2.5 46,-0.2 6,-0.2 -0.728 39.4-159.3 -86.8 128.2 21.9 24.1 84.0 73 73 A T > - 0 0 12 4,-2.4 3,-1.2 -2,-0.5 52,-0.3 -0.516 31.9-106.1-105.4 171.4 19.2 23.2 81.5 74 74 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.898 117.8 62.4 -58.1 -43.7 18.8 21.3 78.2 75 75 A D T 3 S- 0 0 127 1,-0.1 -1,-0.3 49,-0.1 3,-0.1 0.133 120.0-111.1 -72.0 20.8 18.5 24.6 76.3 76 76 A N S < S+ 0 0 34 -3,-1.2 2,-0.2 1,-0.2 -2,-0.2 0.836 80.9 113.5 49.1 43.7 22.0 25.4 77.5 77 77 A T - 0 0 33 -4,-0.1 -4,-2.4 -6,-0.1 2,-0.5 -0.753 66.6-113.8-130.5 177.2 20.9 28.2 79.8 78 78 A I E -E 72 0B 1 -2,-0.2 13,-2.4 -6,-0.2 14,-0.4 -0.977 30.2-177.2-121.3 120.2 20.8 28.9 83.5 79 79 A V E -EF 71 90B 17 -8,-1.7 -8,-2.0 -2,-0.5 11,-0.3 -0.826 33.3-100.5-113.3 152.4 17.4 29.2 85.3 80 80 A L E +E 70 0B 3 9,-1.9 7,-1.1 -2,-0.3 9,-0.3 -0.461 46.6 178.0 -72.8 146.5 16.8 30.1 88.9 81 81 A H E - F 0 86B 12 -12,-2.2 2,-0.3 5,-0.2 -12,-0.2 -0.934 31.5-154.5-145.1 165.0 16.0 27.2 91.3 82 82 A H E > S- F 0 85B 47 3,-1.9 3,-1.1 -2,-0.3 -2,-0.0 -0.799 74.8 -54.3-142.7 93.6 15.2 26.3 94.9 83 83 A G T 3 S- 0 0 21 -2,-0.3 -1,-0.1 1,-0.2 -35,-0.0 -0.555 122.1 -17.3 70.6-130.4 16.2 22.7 95.5 84 84 A P T 3 S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.112 118.0 100.3 -95.3 24.1 14.4 20.5 92.9 85 85 A L E < -F 82 0B 61 -3,-1.1 -3,-1.9 -41,-0.0 2,-0.7 -0.936 67.2-139.0-115.6 129.7 11.9 23.3 92.0 86 86 A Y E -F 81 0B 97 -2,-0.4 -5,-0.2 -5,-0.2 -16,-0.0 -0.762 14.8-154.6 -84.7 116.3 12.1 25.6 89.0 87 87 A L E - 0 0 2 -7,-1.1 -49,-0.3 -2,-0.7 -6,-0.1 0.242 32.6-114.7 -79.0 11.3 11.1 29.1 90.2 88 88 A Y E S+ 0 0 153 -8,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.785 86.2 102.0 60.8 27.5 9.8 30.6 87.0 89 89 A V E - 0 0 0 -9,-0.3 -9,-1.9 -54,-0.1 2,-0.3 -0.958 58.4-149.0-136.0 148.8 12.6 33.1 86.9 90 90 A T E > -F 79 0B 40 -2,-0.3 4,-1.2 -11,-0.3 -11,-0.3 -0.771 24.2-116.4-120.2 166.3 15.8 32.9 84.8 91 91 A L H > S+ 0 0 0 -13,-2.4 4,-1.9 -2,-0.3 5,-0.2 0.825 115.8 52.3 -70.2 -34.6 19.4 34.1 85.1 92 92 A H H > S+ 0 0 82 -14,-0.4 4,-3.1 1,-0.2 5,-0.3 0.967 103.0 60.3 -63.2 -48.7 19.2 36.4 82.1 93 93 A E H > S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.830 107.1 46.5 -45.2 -43.0 16.1 38.0 83.7 94 94 A F H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 3,-0.3 0.956 112.4 45.5 -69.2 -53.9 18.2 38.9 86.8 95 95 A I H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.3 -2,-0.2 0.898 114.1 51.5 -58.4 -36.8 21.2 40.4 85.0 96 96 A N H X S+ 0 0 81 -4,-3.1 4,-1.2 1,-0.2 -1,-0.3 0.825 108.4 52.9 -67.8 -32.2 18.8 42.3 82.7 97 97 A E H X S+ 0 0 60 -4,-1.3 4,-1.4 -5,-0.3 -1,-0.2 0.841 111.3 44.8 -70.8 -36.6 17.1 43.6 85.9 98 98 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.824 107.2 58.0 -77.7 -34.4 20.3 44.9 87.4 99 99 A K H X S+ 0 0 63 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.889 108.5 47.2 -62.2 -39.5 21.5 46.5 84.2 100 100 A Q H X S+ 0 0 91 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.918 112.3 48.7 -67.8 -46.0 18.3 48.6 84.1 101 101 A F H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.863 114.2 47.4 -61.3 -39.6 18.7 49.6 87.8 102 102 A L H < S+ 0 0 6 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.796 107.4 53.6 -73.9 -30.7 22.3 50.5 87.2 103 103 A K H < S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 115.1 43.9 -71.4 -28.6 21.7 52.6 84.1 104 104 A D H < S+ 0 0 78 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.782 128.2 27.0 -81.7 -33.1 19.1 54.5 86.2 105 105 A N >< + 0 0 13 -4,-1.6 3,-2.6 -5,-0.2 -1,-0.2 -0.538 67.0 174.0-133.6 68.2 21.4 54.8 89.2 106 106 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 51,-0.1 0.615 73.4 72.7 -49.4 -19.2 25.0 54.7 88.0 107 107 A S T 3 S+ 0 0 14 -96,-0.1 2,-0.1 48,-0.1 -95,-0.1 0.803 90.2 76.0 -69.5 -26.8 26.2 55.4 91.6 108 108 A E < - 0 0 0 -3,-2.6 48,-2.2 -97,-0.2 2,-0.3 -0.369 56.0-171.7 -90.3 164.3 25.3 51.9 92.6 109 109 A T - 0 0 0 46,-0.2 2,-0.4 47,-0.1 49,-0.2 -0.856 12.9-142.8-139.7 167.2 26.8 48.4 92.2 110 110 A I E - g 0 158B 0 47,-1.3 49,-2.1 -2,-0.3 2,-0.6 -0.978 5.8-142.3-146.5 131.5 25.5 45.0 93.0 111 111 A I E -dg 65 159B 0 -47,-2.7 -45,-2.1 -2,-0.4 2,-0.8 -0.818 18.5-156.3 -91.7 118.5 27.1 41.8 94.3 112 112 A M E -dg 66 160B 0 47,-3.1 49,-2.4 -2,-0.6 2,-0.3 -0.851 1.6-158.3-102.5 106.6 25.7 38.7 92.6 113 113 A S E -dg 67 161B 9 -47,-2.1 -45,-1.8 -2,-0.8 2,-0.4 -0.633 16.4-172.9 -77.9 139.7 26.1 35.5 94.7 114 114 A L E +dg 68 162B 0 47,-1.5 49,-1.2 -2,-0.3 2,-0.3 -0.982 11.6 163.2-142.3 129.2 25.8 32.4 92.5 115 115 A K E -d 69 0B 50 -47,-1.5 -45,-2.3 -2,-0.4 2,-1.3 -0.957 44.3-108.7-141.3 157.1 25.7 28.7 93.3 116 116 A K E +d 70 0B 99 47,-0.5 -45,-0.2 -2,-0.3 -47,-0.1 -0.721 38.1 175.7 -87.0 91.3 24.7 25.4 91.6 117 117 A E + 0 0 39 -47,-1.4 2,-0.2 -2,-1.3 -1,-0.2 0.897 64.1 19.0 -62.2 -46.9 21.5 24.6 93.5 118 118 A Y S S- 0 0 102 -48,-1.0 2,-0.3 -3,-0.2 -46,-0.2 -0.698 93.3 -84.1-121.9 174.2 20.6 21.5 91.5 119 119 A E - 0 0 135 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.614 54.0 -91.6 -83.7 140.6 22.4 19.1 89.2 120 120 A D - 0 0 38 -2,-0.3 -47,-0.2 1,-0.1 -1,-0.1 -0.077 57.0 -87.1 -46.5 141.3 22.9 19.9 85.5 121 121 A M > - 0 0 61 -49,-2.5 3,-1.7 1,-0.1 -1,-0.1 -0.129 36.0-108.8 -55.3 148.5 20.1 18.6 83.3 122 122 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 -3,-0.1 -49,-0.1 0.277 116.9 33.7 -62.7 10.8 20.2 15.0 81.9 123 123 A G T 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -50,-0.1 0.275 82.9 137.2-151.3 12.0 21.0 16.3 78.5 124 124 A A < - 0 0 32 -3,-1.7 -50,-0.1 -52,-0.2 3,-0.1 0.134 44.6-141.8 -54.4 177.6 23.0 19.5 78.9 125 125 A E S S+ 0 0 161 -52,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.796 71.3 18.6-112.1 -51.8 26.0 20.3 76.6 126 126 A D S S- 0 0 74 1,-0.2 -1,-0.1 2,-0.1 -50,-0.1 -0.426 89.5 -76.8-112.8-173.3 28.7 21.9 78.7 127 127 A S > - 0 0 64 -2,-0.2 4,-1.9 1,-0.1 -1,-0.2 -0.262 41.4-109.2 -80.0 171.5 29.6 22.2 82.4 128 128 A F H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.983 116.9 40.2 -65.2 -59.0 27.8 24.5 84.9 129 129 A S H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.891 116.1 51.2 -57.9 -45.2 30.7 27.0 85.4 130 130 A S H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.954 108.1 50.8 -58.7 -53.9 31.6 27.0 81.7 131 131 A T H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.925 115.1 44.5 -50.9 -48.5 28.1 27.7 80.5 132 132 A F H X>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 4,-1.8 0.898 117.1 42.9 -64.6 -45.1 27.9 30.6 82.9 133 133 A E H <5S+ 0 0 14 -4,-2.8 5,-0.4 3,-0.2 -1,-0.2 0.751 120.9 41.0 -74.0 -24.4 31.4 32.0 82.2 134 134 A K H <5S+ 0 0 143 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.736 127.0 30.9 -94.2 -26.3 31.0 31.6 78.4 135 135 A K H <5S+ 0 0 112 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.624 136.7 7.0-108.0 -13.9 27.4 32.7 78.0 136 136 A Y T ><5S+ 0 0 9 -4,-1.8 3,-1.1 -5,-0.3 -3,-0.2 0.662 119.2 53.7-129.7 -61.9 26.9 35.3 80.8 137 137 A F T 3 > -A 22 0A 85 -2,-0.4 4,-1.4 -128,-0.3 3,-1.0 -0.407 23.5-122.1 -80.0 154.4 36.8 48.8 96.2 151 151 A L H 3> S+ 0 0 0 -130,-2.8 4,-1.3 1,-0.2 -132,-0.2 0.834 105.2 69.1 -64.8 -37.6 33.7 50.8 95.5 152 152 A G H 34 S+ 0 0 29 1,-0.2 -1,-0.2 -133,-0.2 -133,-0.1 0.685 107.5 39.6 -57.9 -17.7 35.3 53.2 93.1 153 153 A D H <4 S+ 0 0 88 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.841 110.4 53.0 -99.3 -42.8 35.7 50.3 90.7 154 154 A A H >< S+ 0 0 0 -4,-1.4 3,-1.8 2,-0.1 -44,-0.3 0.560 77.0 123.6 -72.5 -9.8 32.4 48.4 91.1 155 155 A R T 3< S+ 0 0 55 -4,-1.3 -46,-0.2 1,-0.3 -47,-0.1 -0.341 81.8 9.1 -56.7 115.6 30.3 51.5 90.4 156 156 A G T 3 S+ 0 0 27 -48,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.193 118.6 72.9 100.4 -16.4 28.0 50.8 87.5 157 157 A K S < S- 0 0 57 -3,-1.8 -47,-1.3 -4,-0.1 2,-0.6 -0.526 83.5 -91.3-122.3-173.9 28.6 47.1 87.1 158 158 A I E -gh 110 142B 0 -17,-4.2 -15,-1.4 -49,-0.2 2,-0.6 -0.915 28.0-150.3-107.7 115.4 27.8 43.7 88.7 159 159 A V E -g 111 0B 0 -49,-2.1 -47,-3.1 -2,-0.6 2,-0.4 -0.745 18.0-143.8 -84.3 120.2 30.3 42.3 91.3 160 160 A L E -g 112 0B 0 -2,-0.6 13,-2.3 -17,-0.4 2,-0.6 -0.716 11.4-163.1 -92.1 131.1 30.2 38.6 91.1 161 161 A L E -gi 113 173B 8 -49,-2.4 -47,-1.5 -2,-0.4 13,-0.1 -0.940 22.0-139.2-111.8 102.1 30.6 36.5 94.3 162 162 A K E +g 114 0B 4 11,-1.8 14,-0.4 -2,-0.6 -47,-0.1 -0.397 31.5 169.0 -67.1 137.7 31.5 33.0 93.3 163 163 A K + 0 0 37 -49,-1.2 -47,-0.5 12,-0.2 2,-0.3 -0.214 61.4 74.1-137.3 38.7 29.9 30.1 95.2 164 164 A Y - 0 0 2 -49,-0.2 3,-0.4 -35,-0.0 11,-0.3 -0.964 69.5-136.3-156.5 133.7 31.0 27.4 92.8 165 165 A S S S+ 0 0 80 -2,-0.3 -36,-0.2 1,-0.2 3,-0.1 -0.270 79.1 66.6 -79.5 175.6 34.3 25.7 92.0 166 166 A G + 0 0 46 1,-0.3 2,-0.2 -37,-0.1 -1,-0.2 0.517 64.2 153.5 88.2 3.0 35.5 25.1 88.5 167 167 A S + 0 0 38 -3,-0.4 -1,-0.3 1,-0.2 -37,-0.1 -0.501 16.5 171.3 -68.5 133.1 35.9 28.8 87.7 168 168 A N + 0 0 138 -2,-0.2 -1,-0.2 -39,-0.1 -38,-0.0 0.604 55.4 75.0-115.2 -24.7 38.5 29.4 85.0 169 169 A E S S- 0 0 102 1,-0.1 2,-0.0 2,-0.0 -32,-0.0 -0.670 80.5-119.4 -93.7 144.7 38.0 33.1 84.3 170 170 A P + 0 0 64 0, 0.0 -25,-0.1 0, 0.0 -2,-0.1 -0.311 56.5 93.5 -77.8 163.5 39.2 35.8 86.7 171 171 A G + 0 0 0 1,-0.2 -25,-0.2 -2,-0.0 -27,-0.2 -0.112 59.5 13.6 126.9 140.5 37.0 38.3 88.5 172 172 A G S S- 0 0 0 -27,-2.2 2,-0.6 -11,-0.1 -1,-0.2 -0.396 103.2 -15.3 75.0-147.7 35.0 39.1 91.7 173 173 A Y B S-i 161 0B 4 -13,-2.3 -11,-1.8 -2,-0.1 2,-0.1 -0.887 71.9-120.8 -99.4 118.8 35.3 37.3 95.0 174 174 A N - 0 0 62 -2,-0.6 -2,-0.1 -13,-0.1 -13,-0.0 -0.391 34.0-105.7 -60.3 127.6 37.0 33.9 94.7 175 175 A N - 0 0 63 -11,-0.3 -12,-0.2 -2,-0.1 2,-0.1 -0.298 46.8-170.2 -56.7 127.3 34.8 31.1 95.9 176 176 A F - 0 0 24 -14,-0.4 12,-0.1 -3,-0.1 -1,-0.1 -0.372 33.9 -76.8-109.8-169.5 35.9 29.8 99.3 177 177 A Y + 0 0 174 10,-0.3 11,-0.0 -2,-0.1 -1,-0.0 0.981 49.1 174.1 -54.4 -81.9 35.1 26.9 101.7 178 178 A W - 0 0 36 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.998 24.1-139.1 68.1 79.0 31.8 27.7 103.3 179 179 A P - 0 0 10 0, 0.0 2,-0.6 0, 0.0 3,-0.2 -0.241 27.9 -92.9 -66.0 154.3 30.6 24.8 105.5 180 180 A D S S- 0 0 125 1,-0.2 19,-0.1 19,-0.1 -2,-0.0 -0.561 97.0 -10.0 -74.6 113.5 27.0 23.6 105.6 181 181 A N S S+ 0 0 46 -2,-0.6 18,-0.3 17,-0.3 2,-0.2 0.963 104.0 86.3 62.7 93.5 25.1 25.4 108.4 182 182 A E E S-J 198 0B 78 16,-1.3 16,-2.0 -3,-0.2 2,-0.7 -0.882 78.0 -91.8 164.3 165.8 27.4 27.3 110.8 183 183 A T E +J 197 0B 51 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.921 58.4 166.9 -99.0 116.0 29.3 30.4 111.6 184 184 A F E -J 196 0B 11 12,-2.3 12,-0.9 -2,-0.7 2,-0.3 -0.746 28.4-148.4-125.7 176.6 32.7 29.9 110.0 185 185 A T E +J 195 0B 75 -2,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.915 26.5 151.0-152.4 122.1 35.7 32.0 109.1 186 186 A T E -J 194 0B 39 8,-1.5 8,-2.2 -2,-0.3 2,-0.3 -0.883 45.5 -89.6-143.3 172.5 38.1 31.4 106.2 187 187 A T E -J 193 0B 86 -2,-0.3 -10,-0.3 6,-0.2 6,-0.2 -0.666 32.0-173.0 -88.0 140.4 40.5 33.3 103.8 188 188 A V - 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