==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-MAY-12 4F2U . COMPND 2 MOLECULE: 1-PHOSPHATIDYLINOSITOL PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.CHENG,R.GOLDSTEIN,B.STEC,A.GERSHENSON,M.F.ROBERTS . 304 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 35 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 1 2 1 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 2 A D 0 0 197 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 144.4 -4.0 32.0 6.5 2 3 A S > - 0 0 49 1,-0.1 3,-1.1 2,-0.1 4,-0.2 -0.024 360.0-127.6 -25.9 134.8 -0.7 30.4 5.5 3 4 A L G > S+ 0 0 13 1,-0.2 3,-1.6 2,-0.2 6,-0.2 0.758 109.3 66.7 -63.6 -29.4 -0.9 26.5 5.0 4 5 A S G 3 S+ 0 0 18 1,-0.3 -1,-0.2 290,-0.1 -2,-0.1 0.609 87.0 70.3 -71.6 -12.1 2.1 26.2 7.4 5 6 A K G < S+ 0 0 146 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.578 105.7 38.5 -73.7 -17.7 -0.4 27.4 10.1 6 7 A S X + 0 0 22 -3,-1.6 3,-1.0 -4,-0.2 -1,-0.2 -0.560 68.9 156.4-129.0 72.8 -2.2 24.1 9.8 7 8 A P G > + 0 0 33 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.817 64.8 70.4 -67.6 -24.4 0.6 21.6 9.3 8 9 A E G 3 S+ 0 0 51 1,-0.2 50,-0.1 50,-0.1 51,-0.1 0.787 120.4 12.8 -67.9 -22.9 -1.5 18.7 10.7 9 10 A N G X S+ 0 0 37 -3,-1.0 3,-0.6 -6,-0.2 4,-0.4 -0.058 80.1 132.9-143.8 37.9 -3.7 18.7 7.6 10 11 A W G X S+ 0 0 0 -3,-0.8 3,-1.7 1,-0.2 4,-0.3 0.863 71.1 59.3 -59.8 -38.6 -2.1 20.9 4.9 11 12 A M G > S+ 0 0 2 1,-0.3 3,-2.3 -4,-0.2 -1,-0.2 0.872 92.9 68.7 -61.6 -30.8 -2.5 18.5 2.1 12 13 A S G < S+ 0 0 43 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.657 94.7 58.9 -59.2 -18.2 -6.3 18.6 2.6 13 14 A K G < S+ 0 0 92 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.491 91.4 90.4 -92.9 -1.6 -6.1 22.2 1.3 14 15 A L S < S- 0 0 18 -3,-2.3 2,-0.6 -4,-0.3 288,-0.1 -0.500 91.5 -94.8 -89.4 162.1 -4.6 21.3 -2.0 15 16 A D > - 0 0 70 1,-0.1 3,-2.2 -2,-0.1 138,-0.2 -0.640 33.3-149.3 -63.3 113.9 -6.2 20.5 -5.4 16 17 A D T 3 S+ 0 0 29 -2,-0.6 138,-2.6 1,-0.3 137,-0.3 0.551 90.2 78.8 -75.5 -2.6 -6.3 16.7 -5.2 17 18 A G T 3 S+ 0 0 41 136,-0.2 -1,-0.3 135,-0.1 2,-0.2 0.519 73.0 108.2 -71.8 -11.4 -5.9 16.7 -8.9 18 19 A K S < S- 0 0 57 -3,-2.2 135,-2.4 134,-0.1 2,-0.3 -0.465 76.0-122.3 -68.0 140.1 -2.2 17.4 -8.3 19 20 A H B > -A 152 0A 38 133,-0.3 3,-2.0 -2,-0.2 4,-0.4 -0.635 23.5-122.1 -75.1 138.1 0.3 14.7 -9.0 20 21 A L G > S+ 0 0 0 131,-1.8 3,-1.9 -2,-0.3 -1,-0.1 0.861 112.6 64.0 -49.9 -33.1 2.3 14.0 -5.8 21 22 A T G 3 S+ 0 0 0 130,-0.4 214,-0.4 1,-0.3 -1,-0.3 0.789 100.1 52.2 -61.7 -24.6 5.5 14.8 -7.8 22 23 A E G < S+ 0 0 57 -3,-2.0 2,-0.3 212,-0.1 -1,-0.3 0.403 91.2 93.9 -91.8 -7.6 4.2 18.4 -8.3 23 24 A I S < S- 0 0 2 -3,-1.9 2,-0.8 -4,-0.4 274,-0.1 -0.737 78.3-127.9 -91.4 139.7 3.6 18.9 -4.6 24 25 A N - 0 0 4 -2,-0.3 252,-0.2 273,-0.2 276,-0.2 -0.828 38.9-174.3 -86.0 111.3 6.3 20.5 -2.5 25 26 A I E -b 276 0B 1 -2,-0.8 252,-1.5 250,-0.6 2,-0.3 -0.931 22.9-139.1-121.0 125.1 6.7 17.9 0.4 26 27 A P E -b 277 0B 0 0, 0.0 35,-2.3 0, 0.0 36,-1.4 -0.645 27.0-173.2 -77.6 136.9 8.7 18.1 3.5 27 28 A G E -bc 278 62B 0 250,-3.0 252,-3.1 -2,-0.3 2,-0.4 -0.881 19.0-131.7-122.9 162.0 10.4 14.8 4.4 28 29 A S E > -bc 279 63B 0 34,-2.1 36,-1.3 -2,-0.3 3,-0.7 -0.922 20.5-130.1-111.2 139.6 12.5 13.6 7.4 29 30 A H T 3 S- 0 0 22 250,-2.9 252,-0.2 -2,-0.4 4,-0.2 -0.731 89.9 -3.9 -90.6 136.6 15.7 11.8 7.0 30 31 A D T > S- 0 0 4 -2,-0.4 3,-2.2 1,-0.1 17,-0.3 0.934 83.0-168.3 42.8 56.9 16.1 8.6 8.9 31 32 A S G X S+ 0 0 0 33,-1.1 3,-0.6 -3,-0.7 34,-0.1 0.722 72.3 59.5 -43.8 -39.9 12.7 9.3 10.4 32 33 A G G > S+ 0 0 1 32,-0.5 3,-1.1 1,-0.2 -1,-0.3 0.454 75.5 92.6 -77.3 -0.3 12.9 6.6 13.2 33 34 A S G X + 0 0 0 -3,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.401 54.1 95.3 -82.4 5.3 16.0 7.9 15.0 34 35 A F G < S+ 0 0 23 -3,-0.6 -1,-0.3 1,-0.3 17,-0.1 0.611 73.1 71.3 -64.9 -14.5 14.1 10.0 17.5 35 36 A T G < S+ 0 0 35 -3,-1.1 -1,-0.3 49,-0.2 -2,-0.1 0.640 73.3 108.9 -77.2 -14.7 14.3 7.0 19.9 36 37 A L < + 0 0 1 -3,-1.5 48,-0.1 12,-0.2 12,-0.0 -0.430 29.8 158.5 -70.5 134.6 18.1 7.5 20.4 37 38 A K + 0 0 157 -2,-0.1 -1,-0.1 9,-0.0 -3,-0.0 0.534 38.9 107.4-124.8 -25.9 19.1 8.8 23.8 38 39 A D > - 0 0 70 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.472 59.9-152.0 -60.8 110.4 22.8 7.8 24.1 39 40 A P H > S+ 0 0 102 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.799 90.2 50.3 -64.0 -27.6 24.6 11.2 23.7 40 41 A V H 4 S+ 0 0 116 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.922 116.6 41.9 -75.5 -38.4 27.8 9.8 22.2 41 42 A K H >> S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 3,-1.1 0.875 105.6 64.3 -73.1 -36.8 25.9 7.8 19.7 42 43 A S H 3X S+ 0 0 19 -4,-2.7 4,-1.0 1,-0.3 209,-0.3 0.698 84.6 75.4 -65.5 -21.6 23.4 10.6 18.9 43 44 A V H 3< S+ 0 0 49 -4,-0.7 208,-1.9 -3,-0.4 -1,-0.3 0.934 119.7 9.2 -54.7 -43.7 26.1 12.9 17.5 44 45 A W H <4 S+ 0 0 106 -3,-1.1 199,-0.3 -4,-0.4 -2,-0.2 0.671 134.0 45.2-114.1 -22.5 26.3 10.9 14.3 45 46 A A H < S+ 0 0 0 -4,-2.5 2,-0.4 197,-0.1 -3,-0.2 0.620 92.5 82.0-101.8 -16.9 23.3 8.4 14.4 46 47 A K < + 0 0 21 -4,-1.0 205,-0.3 -5,-0.3 206,-0.2 -0.793 39.4 160.5 -93.5 132.0 20.4 10.6 15.6 47 48 A T + 0 0 0 -2,-0.4 234,-3.8 -17,-0.3 2,-0.3 0.458 61.5 35.8-127.7 -8.5 18.7 12.8 12.9 48 49 A Q - 0 0 0 232,-0.2 -1,-0.2 233,-0.2 -12,-0.2 -0.985 43.4-169.2-143.8 151.5 15.3 13.6 14.5 49 50 A D + 0 0 63 -2,-0.3 2,-0.3 233,-0.3 -1,-0.1 0.566 69.5 83.1-115.2 -12.2 13.9 14.4 17.9 50 51 A K S S- 0 0 53 232,-0.3 -16,-0.2 1,-0.1 232,-0.1 -0.700 78.8-122.7 -88.6 138.6 10.1 14.3 17.1 51 52 A D > - 0 0 64 -2,-0.3 4,-2.7 -17,-0.1 5,-0.2 -0.186 35.4 -95.7 -68.4 172.8 8.3 10.9 17.1 52 53 A Y H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.915 125.0 48.0 -58.3 -49.2 6.5 9.8 13.9 53 54 A L H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.890 114.3 46.8 -58.8 -39.7 3.1 11.0 15.0 54 55 A T H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.855 110.0 53.4 -74.7 -33.7 4.6 14.4 16.0 55 56 A Q H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 4,-0.3 0.944 111.5 46.4 -61.8 -46.0 6.5 14.6 12.7 56 57 A M H ><5S+ 0 0 0 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.953 109.6 52.6 -61.3 -47.5 3.2 14.0 10.9 57 58 A K H 3<5S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 107.1 55.9 -53.8 -33.3 1.4 16.6 13.1 58 59 A S T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.454 128.0 -98.4 -82.1 -2.3 4.2 19.0 12.1 59 60 A G T < 5 + 0 0 0 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.457 69.6 149.5 104.2 4.1 3.5 18.4 8.4 60 61 A V < + 0 0 0 -5,-2.2 -1,-0.3 1,-0.2 -33,-0.2 -0.541 10.1 166.0 -71.8 129.0 6.1 15.8 7.4 61 62 A R + 0 0 1 -35,-2.3 47,-2.8 -2,-0.3 2,-0.5 0.462 54.7 69.3-122.9 -5.9 4.7 13.7 4.6 62 63 A F E -cd 27 108B 1 -36,-1.4 -34,-2.1 45,-0.2 2,-0.5 -0.959 64.0-163.7-117.3 125.2 7.8 11.8 3.3 63 64 A F E -cd 28 109B 0 45,-2.9 47,-3.1 -2,-0.5 2,-0.9 -0.934 12.8-153.1-116.3 126.8 9.4 9.2 5.5 64 65 A D E - d 0 110B 0 -36,-1.3 -33,-1.1 -2,-0.5 2,-0.7 -0.838 21.1-178.3 -93.4 96.9 12.8 7.8 5.1 65 66 A I E - d 0 111B 0 45,-2.0 47,-1.9 -2,-0.9 2,-0.4 -0.886 3.1-175.5-104.3 111.6 12.6 4.3 6.6 66 67 A R E - d 0 112B 23 -2,-0.7 12,-2.2 12,-0.3 2,-0.3 -0.924 17.4-175.7-108.9 140.1 15.9 2.5 6.5 67 68 A G E -Ed 77 113B 0 45,-3.1 47,-3.2 -2,-0.4 48,-0.8 -0.825 30.6-146.8-136.8 168.2 15.8 -1.1 7.8 68 69 A R E -E 76 0B 52 8,-2.7 8,-2.9 -2,-0.3 2,-0.6 -0.997 28.8-124.9-134.5 131.2 17.4 -4.3 8.7 69 70 A A E +E 75 0B 0 46,-0.5 49,-2.4 -2,-0.4 6,-0.2 -0.655 35.6 168.9 -70.5 116.4 15.9 -7.8 8.3 70 71 A S E + 0 0 13 4,-1.8 2,-0.3 -2,-0.6 -1,-0.2 0.469 66.8 8.5-113.1 -6.3 16.2 -9.2 11.9 71 72 A A E > S-E 74 0B 10 3,-1.2 3,-1.9 48,-0.0 -1,-0.4 -0.917 87.7 -96.5-157.8 163.0 13.9 -12.3 11.5 72 73 A D T 3 S+ 0 0 44 -2,-0.3 60,-0.1 1,-0.3 3,-0.0 0.598 127.9 32.5 -60.8 -10.4 12.3 -13.9 8.4 73 74 A N T 3 S+ 0 0 94 1,-0.1 2,-0.4 58,-0.0 -1,-0.3 0.222 111.1 75.0-126.8 17.5 9.1 -12.0 9.3 74 75 A M E < -E 71 0B 59 -3,-1.9 -4,-1.8 14,-0.0 -3,-1.2 -0.992 49.2-166.0-141.1 131.6 10.5 -8.8 10.8 75 76 A I E -E 69 0B 0 -2,-0.4 13,-3.1 -6,-0.2 2,-0.4 -0.981 16.5-156.3-112.2 123.7 12.2 -5.6 9.7 76 77 A S E -EF 68 87B 5 -8,-2.9 -8,-2.7 -2,-0.5 2,-0.3 -0.786 22.7-114.9 -96.8 143.5 13.8 -3.4 12.3 77 78 A V E +E 67 0B 2 9,-2.4 7,-3.3 -2,-0.4 9,-0.4 -0.626 46.1 174.4 -82.1 130.4 14.4 0.3 11.8 78 79 A H E - F 0 83B 5 -12,-2.2 2,-0.6 -2,-0.3 -12,-0.3 -0.942 42.2-146.6-137.3 149.4 18.1 1.1 11.6 79 80 A H E > S- F 0 82B 36 3,-2.7 3,-2.1 -2,-0.3 2,-0.1 -0.924 82.6 -63.7-110.3 96.8 20.6 4.0 11.0 80 81 A G T 3 S- 0 0 21 -2,-0.6 34,-0.1 1,-0.3 -1,-0.1 -0.407 122.2 -10.4 53.0-126.7 23.3 1.8 9.4 81 82 A M T 3 S+ 0 0 123 -3,-0.1 2,-0.7 -2,-0.1 -1,-0.3 0.705 116.0 102.1 -70.0 -20.2 24.4 -0.7 12.2 82 83 A V E < -F 79 0B 8 -3,-2.1 -3,-2.7 1,-0.1 2,-0.3 -0.574 68.7-140.9 -79.1 112.6 22.5 1.3 14.8 83 84 A Y E -F 78 0B 84 -2,-0.7 -5,-0.3 -5,-0.2 -2,-0.1 -0.547 4.1-151.0 -61.0 129.3 19.2 -0.3 15.8 84 85 A L E - 0 0 0 -7,-3.3 -49,-0.2 -2,-0.3 -6,-0.1 0.188 40.6-107.5 -98.9 20.2 16.5 2.3 16.4 85 86 A H E S+ 0 0 105 -8,-0.2 2,-0.3 1,-0.1 -7,-0.1 0.557 86.2 65.3 73.6 15.3 14.5 0.4 19.0 86 87 A H E S- 0 0 13 -9,-0.4 -9,-2.4 -54,-0.0 -2,-0.3 -0.982 70.9-115.1-156.8 169.1 11.5 -0.6 17.0 87 88 A E E >> -F 76 0B 54 -2,-0.3 3,-1.5 -11,-0.3 4,-0.8 -0.604 39.1-102.7-100.5 165.6 10.2 -2.6 14.0 88 89 A L H 3> S+ 0 0 0 -13,-3.1 4,-2.6 1,-0.3 3,-0.3 0.858 114.7 71.7 -58.2 -33.7 8.6 -1.3 10.8 89 90 A G H 3> S+ 0 0 11 -14,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.840 92.3 57.6 -48.7 -37.0 5.1 -2.3 12.2 90 91 A K H <> S+ 0 0 77 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.935 107.8 45.5 -65.1 -48.6 5.3 0.6 14.6 91 92 A F H X S+ 0 0 0 -4,-0.8 4,-3.1 -3,-0.3 5,-0.2 0.953 113.9 49.8 -52.9 -52.3 5.8 3.1 11.8 92 93 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.890 110.9 48.7 -56.7 -42.5 3.0 1.5 9.8 93 94 A D H X S+ 0 0 82 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.886 112.9 47.3 -67.3 -42.9 0.6 1.6 12.8 94 95 A D H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 113.9 48.1 -65.1 -44.1 1.4 5.2 13.5 95 96 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.936 111.9 49.8 -58.0 -49.9 0.9 6.1 9.8 96 97 A K H X S+ 0 0 105 -4,-3.2 4,-1.2 -5,-0.2 -2,-0.2 0.908 111.8 48.2 -59.4 -42.3 -2.3 4.2 9.7 97 98 A Y H >X S+ 0 0 155 -4,-2.6 4,-1.6 2,-0.2 3,-0.5 0.944 113.1 47.9 -59.5 -46.0 -3.5 6.0 12.8 98 99 A Y H 3X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 109.3 53.2 -67.4 -40.2 -2.6 9.4 11.4 99 100 A L H 3< S+ 0 0 4 -4,-2.9 -1,-0.2 2,-0.2 6,-0.2 0.722 107.7 48.6 -66.0 -26.3 -4.2 8.8 8.1 100 101 A S H << S+ 0 0 92 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.804 114.1 47.8 -84.0 -27.2 -7.6 7.8 9.5 101 102 A A H < S+ 0 0 51 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.866 129.4 24.2 -73.8 -36.8 -7.5 10.9 11.7 102 103 A Y S >< S+ 0 0 61 -4,-2.5 3,-1.4 -5,-0.2 56,-0.3 -0.674 75.1 172.2-127.7 77.0 -6.4 13.0 8.6 103 104 A P T 3 + 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.481 68.7 64.5 -81.9 3.8 -7.7 11.1 5.7 104 105 A N T 3 S+ 0 0 69 53,-0.1 2,-0.3 54,-0.1 53,-0.1 0.188 88.7 85.8-104.9 16.2 -7.0 13.7 3.0 105 106 A E < - 0 0 1 -3,-1.4 53,-3.8 -6,-0.2 2,-0.3 -0.773 63.4-155.0-103.1 155.6 -3.2 13.5 3.5 106 107 A T - 0 0 1 -2,-0.3 2,-0.4 51,-0.3 54,-0.2 -0.955 3.8-147.8-125.5 155.8 -1.0 11.0 1.9 107 108 A I E - g 0 160B 1 52,-1.8 54,-3.1 -2,-0.3 2,-0.6 -0.950 2.7-152.0-119.5 133.9 2.3 9.6 3.1 108 109 A V E -dg 62 161B 2 -47,-2.8 -45,-2.9 -2,-0.4 2,-0.7 -0.960 14.9-162.1-101.7 122.3 5.2 8.6 0.9 109 110 A M E -dg 63 162B 0 52,-2.7 54,-2.7 -2,-0.6 2,-0.3 -0.920 3.2-157.7-111.2 110.8 7.3 5.9 2.7 110 111 A S E -dg 64 163B 0 -47,-3.1 -45,-2.0 -2,-0.7 2,-0.4 -0.642 11.6-160.7 -79.1 139.8 10.8 5.3 1.3 111 112 A M E +dg 65 164B 0 52,-2.0 54,-1.7 -2,-0.3 2,-0.3 -0.985 15.8 167.0-130.8 123.4 12.1 1.8 2.2 112 113 A K E -dg 66 165B 46 -47,-1.9 -45,-3.1 -2,-0.4 2,-0.5 -0.989 38.1-122.8-138.0 147.1 15.8 0.9 2.2 113 114 A K E +d 67 0B 92 52,-0.5 -45,-0.2 -2,-0.3 3,-0.1 -0.788 32.9 172.9 -83.3 123.1 18.0 -1.9 3.4 114 115 A D + 0 0 33 -47,-3.2 2,-0.3 -2,-0.5 -46,-0.2 0.455 58.0 19.1-112.2 -4.0 20.6 -0.1 5.6 115 116 A Y S S- 0 0 87 -48,-0.8 -46,-0.5 -34,-0.1 -1,-0.3 -0.969 87.9 -81.0-166.7 147.8 22.4 -3.1 7.1 116 117 A D - 0 0 118 -2,-0.3 3,-0.1 -48,-0.1 -2,-0.0 -0.189 56.5-100.7 -51.7 140.7 23.1 -6.9 6.7 117 118 A S - 0 0 34 1,-0.1 -47,-0.2 -49,-0.1 -1,-0.1 -0.144 43.8 -88.8 -61.6 155.7 20.4 -9.2 7.9 118 119 A D > - 0 0 49 -49,-2.4 3,-2.1 1,-0.1 -1,-0.1 -0.373 46.2-107.9 -61.4 147.9 20.7 -11.0 11.2 119 120 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.769 116.0 61.0 -57.4 -28.2 22.5 -14.3 10.7 120 121 A K T 3 S+ 0 0 133 -50,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.623 79.0 113.5 -69.3 -10.5 19.3 -16.4 11.2 121 122 A V < + 0 0 24 -3,-2.1 -4,-0.0 -52,-0.2 -52,-0.0 -0.425 37.1 175.7 -75.1 134.6 17.5 -14.7 8.2 122 123 A T + 0 0 113 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.302 58.6 69.0-116.3 1.7 16.8 -17.0 5.2 123 124 A K S S- 0 0 58 1,-0.0 2,-0.1 2,-0.0 -54,-0.1 -0.835 85.7-103.1-121.4 157.6 14.9 -14.6 3.0 124 125 A T > - 0 0 83 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.460 32.9-114.0 -71.0 153.9 15.9 -11.5 1.1 125 126 A F H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.905 117.5 50.9 -47.8 -50.5 15.0 -8.0 2.6 126 127 A E H > S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 109.4 50.1 -61.8 -42.5 12.7 -7.3 -0.4 127 128 A E H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.920 111.0 49.1 -62.2 -38.6 10.9 -10.6 -0.0 128 129 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.901 113.4 45.6 -68.9 -40.2 10.4 -10.0 3.7 129 130 A F H X>S+ 0 0 0 -4,-2.3 5,-2.5 3,-0.2 4,-1.3 0.932 115.9 47.8 -66.2 -44.1 9.0 -6.5 3.1 130 131 A R H <>S+ 0 0 39 -4,-3.0 5,-2.4 -5,-0.2 -2,-0.2 0.919 123.2 29.9 -63.6 -47.5 6.7 -7.8 0.3 131 132 A E H <5S+ 0 0 68 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.851 126.5 38.9 -84.0 -38.5 5.3 -10.8 2.2 132 133 A Y H <5S+ 0 0 85 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.547 134.2 9.5 -95.5 -7.9 5.3 -9.7 5.8 133 134 A Y T ><5S+ 0 0 13 -4,-1.3 3,-0.9 -5,-0.3 6,-0.3 0.521 126.3 41.6-133.9 -67.9 4.3 -6.0 5.3 134 135 A Y T 3 S+ 0 0 99 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.812 100.4 69.9 -52.9 -30.9 -3.6 -8.8 5.6 138 139 A Q G 3 S+ 0 0 119 1,-0.3 -2,-0.1 -3,-0.0 -5,-0.0 0.819 105.2 38.3 -57.5 -32.0 -2.9 -6.9 8.8 139 140 A Y G X> S+ 0 0 15 -3,-2.2 3,-1.9 -6,-0.3 4,-0.7 0.011 84.5 151.3-109.5 25.5 -2.0 -3.8 6.7 140 141 A Q T <4 S+ 0 0 129 -3,-2.0 -5,-0.1 1,-0.2 -6,-0.0 -0.361 71.3 10.6 -56.0 135.2 -4.8 -4.4 4.1 141 142 A N T 34 S+ 0 0 118 2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.287 102.6 97.3 75.1 -5.0 -5.9 -1.1 2.6 142 143 A L T <4 S+ 0 0 8 -3,-1.9 18,-2.6 17,-0.1 2,-0.3 0.874 73.7 64.0 -81.6 -39.2 -3.1 1.0 4.1 143 144 A F B < S-h 160 0B 6 -4,-0.7 2,-0.3 16,-0.3 18,-0.2 -0.602 89.7-108.1 -87.8 145.0 -0.8 1.0 1.0 144 145 A Y + 0 0 6 16,-2.7 18,-0.3 -2,-0.3 29,-0.1 -0.547 37.7 173.0 -61.6 125.3 -1.4 2.5 -2.4 145 146 A T + 0 0 95 -2,-0.3 -1,-0.1 -4,-0.1 16,-0.0 0.189 30.7 127.2-124.0 10.3 -2.0 -0.4 -4.8 146 147 A G - 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