==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-12 3VRK . COMPND 2 MOLECULE: CARBONYL SULFIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS THIOPARUS; . AUTHOR Y.KATAYAMA,K.NOGUCHI,T.OGAWA,A.OHTAKI,M.ODAKA,M.YOHDA . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 1 0 0 0 1 0 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 5 A N > 0 0 80 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -33.8 -6.8 -12.7 -27.6 2 6 A T H > + 0 0 4 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.895 360.0 53.4 -80.4 -33.6 -6.7 -14.2 -24.2 3 7 A D H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.905 109.4 53.6 -64.1 -30.3 -7.1 -11.2 -21.9 4 8 A A H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 107.7 50.2 -67.0 -37.3 -10.2 -10.4 -23.9 5 9 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.865 106.7 55.1 -67.1 -33.6 -11.5 -13.9 -23.2 6 10 A L H X S+ 0 0 41 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.864 107.1 50.2 -66.1 -35.1 -10.7 -13.4 -19.5 7 11 A E H X S+ 0 0 82 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 109.2 51.0 -66.9 -40.4 -12.9 -10.3 -19.6 8 12 A N H X S+ 0 0 29 -4,-2.2 4,-2.5 43,-0.2 -2,-0.2 0.932 109.7 51.3 -59.0 -40.8 -15.7 -12.4 -21.3 9 13 A N H X S+ 0 0 1 -4,-2.5 4,-2.9 42,-0.3 -2,-0.2 0.880 104.5 55.9 -64.4 -35.1 -15.2 -14.9 -18.5 10 14 A R H X S+ 0 0 111 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.945 110.2 46.5 -61.0 -43.5 -15.6 -12.1 -15.8 11 15 A L H <>S+ 0 0 55 -4,-2.1 5,-3.0 2,-0.2 4,-0.4 0.933 111.1 52.1 -59.7 -45.3 -18.9 -11.3 -17.4 12 16 A Y H ><5S+ 0 0 61 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.927 108.7 49.5 -59.6 -47.9 -19.9 -14.9 -17.5 13 17 A A H 3<5S+ 0 0 32 -4,-2.9 -1,-0.3 187,-0.3 -2,-0.2 0.846 109.9 52.8 -59.0 -36.0 -19.1 -15.4 -13.8 14 18 A G T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.419 129.1 -93.7 -81.3 -1.8 -21.2 -12.3 -13.0 15 19 A G T < 5S+ 0 0 71 -3,-1.7 2,-0.6 -4,-0.4 -3,-0.2 0.510 88.8 117.5 104.2 9.4 -24.2 -13.6 -14.9 16 20 A Q < - 0 0 117 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.946 51.2-147.9-113.8 116.7 -23.8 -12.1 -18.4 17 21 A A + 0 0 65 -2,-0.6 33,-0.1 1,-0.1 32,-0.1 -0.394 19.5 177.2 -77.5 154.2 -23.3 -14.5 -21.4 18 22 A T + 0 0 42 31,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.573 50.2 95.9-126.8 -33.4 -21.1 -13.7 -24.4 19 23 A H - 0 0 30 30,-0.3 35,-0.1 -11,-0.1 34,-0.1 -0.463 67.6-137.3 -65.1 134.7 -21.2 -16.8 -26.6 20 24 A R - 0 0 118 -2,-0.2 35,-0.4 1,-0.1 -1,-0.1 -0.810 12.4-157.9 -91.5 116.8 -23.9 -16.8 -29.4 21 25 A P + 0 0 123 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.448 56.7 95.5 -84.5 1.6 -25.5 -20.2 -29.5 22 26 A G S S- 0 0 51 1,-0.1 33,-0.2 2,-0.0 -2,-0.1 -0.387 88.7 -84.1 -84.4 166.8 -26.9 -20.2 -33.1 23 27 A H - 0 0 169 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.532 33.5-149.3 -68.3 128.9 -25.3 -21.7 -36.2 24 28 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.419 34.2-123.9 -82.6 2.8 -22.8 -19.2 -37.7 25 29 A G - 0 0 30 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.411 63.7 -7.7 83.3-168.9 -23.2 -20.2 -41.3 26 30 A M S S+ 0 0 193 -2,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.395 71.6 169.5 -70.5 137.7 -20.3 -21.4 -43.6 27 31 A Q - 0 0 95 -2,-0.1 2,-0.1 0, 0.0 29,-0.1 -0.972 33.8-103.6-144.1 156.4 -16.8 -20.9 -42.2 28 32 A P - 0 0 98 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.403 31.3-118.3 -79.9 157.9 -13.2 -21.9 -42.9 29 33 A I S S+ 0 0 115 -2,-0.1 27,-0.1 2,-0.1 54,-0.1 0.847 87.5 93.2 -67.5 -33.3 -11.5 -24.7 -41.0 30 34 A Q S S- 0 0 90 1,-0.1 54,-0.1 2,-0.1 2,-0.1 -0.447 89.7-112.3 -66.0 124.9 -8.7 -22.5 -39.6 31 35 A P > - 0 0 8 0, 0.0 3,-1.4 0, 0.0 26,-0.3 -0.421 23.1-140.8 -57.2 126.6 -9.7 -21.3 -36.1 32 36 A S T 3 S+ 0 0 86 24,-2.4 25,-0.2 1,-0.3 26,-0.1 0.751 99.8 47.8 -71.0 -23.3 -10.2 -17.5 -36.6 33 37 A R T 3 S- 0 0 55 24,-2.1 -1,-0.3 2,-0.2 25,-0.1 0.468 104.1-129.8 -91.0 -2.0 -8.6 -16.6 -33.2 34 38 A R < + 0 0 89 -3,-1.4 52,-2.9 23,-0.3 53,-1.2 0.857 64.9 131.4 59.2 38.3 -5.7 -18.9 -33.9 35 39 A V E -ab 58 87A 0 22,-0.8 24,-2.3 50,-0.2 2,-0.4 -0.927 44.6-161.9-124.4 144.7 -6.3 -20.4 -30.4 36 40 A A E -ab 59 88A 0 51,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.992 10.5-160.6-119.3 134.6 -6.5 -24.0 -29.1 37 41 A V E -ab 60 89A 0 22,-2.9 24,-3.1 -2,-0.4 2,-0.5 -0.946 3.9-162.6-114.3 134.8 -8.1 -24.7 -25.8 38 42 A V E +ab 61 90A 0 51,-2.6 53,-2.9 -2,-0.4 2,-0.3 -0.979 27.7 157.6-114.1 120.1 -7.6 -28.0 -23.8 39 43 A A E -ab 62 91A 0 22,-2.8 24,-1.7 -2,-0.5 27,-0.5 -0.862 44.0 -85.3-136.5 167.8 -10.2 -28.5 -21.1 40 44 A C E -a 63 0A 6 51,-1.2 24,-0.2 25,-0.3 5,-0.1 -0.441 31.2-128.1 -69.8 149.7 -11.9 -31.2 -19.0 41 45 A M + 0 0 123 22,-1.6 23,-0.1 -2,-0.1 -1,-0.1 0.497 61.6 141.0 -70.3 -7.5 -14.8 -33.1 -20.5 42 46 A D > - 0 0 28 21,-0.3 3,-2.2 1,-0.2 54,-0.0 -0.064 58.9-130.4 -46.5 130.6 -16.8 -32.3 -17.4 43 47 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.741 102.4 66.9 -59.8 -24.5 -20.4 -31.5 -18.3 44 48 A R T 3 S+ 0 0 92 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.566 87.5 81.8 -77.2 -7.7 -20.3 -28.3 -16.2 45 49 A L < + 0 0 3 -3,-2.2 2,-0.6 -5,-0.1 3,-0.1 -0.895 48.7 177.2 -99.6 121.5 -17.8 -26.7 -18.6 46 50 A D > - 0 0 61 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.975 17.2-164.5-111.0 106.1 -19.1 -25.2 -21.8 47 51 A V H > S+ 0 0 0 -2,-0.6 4,-1.8 1,-0.2 6,-0.4 0.915 83.6 48.6 -64.9 -44.3 -15.7 -24.0 -23.0 48 52 A E H >>S+ 0 0 51 1,-0.2 5,-1.8 2,-0.2 4,-0.8 0.934 115.4 47.2 -61.1 -42.8 -17.0 -21.6 -25.7 49 53 A D H >45S+ 0 0 50 1,-0.2 3,-0.6 3,-0.2 -31,-0.3 0.926 110.8 48.0 -65.3 -47.0 -19.5 -20.1 -23.2 50 54 A L H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.765 121.3 36.9 -74.6 -22.9 -17.1 -19.6 -20.2 51 55 A L H 3<5S- 0 0 2 -4,-1.8 -42,-0.3 -5,-0.2 -1,-0.3 0.422 106.9-122.7 -97.1 -5.6 -14.4 -17.9 -22.4 52 56 A G T <<5 + 0 0 1 -4,-0.8 2,-0.2 -3,-0.6 -3,-0.2 0.821 54.0 161.4 60.8 31.2 -17.0 -16.1 -24.6 53 57 A L < - 0 0 2 -5,-1.8 2,-0.3 -6,-0.4 -1,-0.2 -0.600 33.7-134.7 -72.4 148.0 -15.5 -17.7 -27.7 54 58 A Q > - 0 0 48 -2,-0.2 3,-2.2 -35,-0.1 4,-0.4 -0.702 35.7 -86.7 -94.1 153.7 -17.7 -17.7 -30.8 55 59 A T T 3 S+ 0 0 60 -35,-0.4 -1,-0.1 -2,-0.3 -33,-0.0 -0.378 118.2 30.5 -54.6 131.3 -18.2 -20.8 -33.0 56 60 A G T 3 S+ 0 0 30 2,-0.3 -24,-2.4 -29,-0.1 -1,-0.3 0.204 98.0 91.5 102.8 -11.6 -15.4 -20.9 -35.5 57 61 A E S < S+ 0 0 29 -3,-2.2 -24,-2.1 -26,-0.3 -22,-0.8 0.795 85.3 20.0 -88.5 -34.1 -12.8 -19.1 -33.3 58 62 A A E -a 35 0A 19 -4,-0.4 -2,-0.3 -24,-0.1 2,-0.3 -0.990 69.0-112.8-141.6 145.4 -10.9 -21.8 -31.5 59 63 A H E -a 36 0A 45 -24,-2.3 -22,-2.9 -2,-0.4 2,-0.5 -0.585 32.9-152.5 -66.3 140.1 -10.0 -25.5 -31.5 60 64 A I E -a 37 0A 52 -2,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.960 15.4-179.4-122.3 105.9 -11.7 -27.1 -28.5 61 65 A I E +a 38 0A 17 -24,-3.1 -22,-2.8 -2,-0.5 2,-0.4 -0.935 8.3 176.7-109.5 124.5 -9.9 -30.2 -27.2 62 66 A R E +a 39 0A 87 -2,-0.5 2,-0.3 -24,-0.2 -22,-0.2 -0.993 10.0 147.2-138.9 135.2 -11.5 -32.0 -24.2 63 67 A N E > -a 40 0A 22 -24,-1.7 -22,-1.6 -2,-0.4 3,-1.3 -0.884 61.2 -56.1-149.4 179.6 -10.7 -35.1 -22.2 64 68 A A T 3 S- 0 0 37 1,-0.3 3,-0.5 -2,-0.3 -24,-0.1 -0.520 127.7 -2.0 -71.1 110.8 -11.0 -36.5 -18.7 65 69 A G T 3 S- 0 0 0 -2,-0.6 -25,-0.3 1,-0.2 -1,-0.3 0.101 103.8 -99.2 98.2 -18.5 -9.1 -33.9 -16.6 66 70 A G < + 0 0 0 -3,-1.3 -1,-0.2 -27,-0.5 -26,-0.2 0.842 68.8 175.1 69.5 29.9 -8.1 -31.7 -19.6 67 71 A V - 0 0 8 -3,-0.5 2,-1.3 -28,-0.1 -1,-0.2 -0.387 39.0-123.2 -75.7 147.5 -4.7 -33.5 -19.3 68 72 A I + 0 0 12 98,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.749 56.5 144.7 -88.2 96.9 -1.9 -33.0 -21.7 69 73 A N > - 0 0 35 -2,-1.3 4,-2.5 104,-0.0 5,-0.2 -0.497 67.5 -72.8-117.5-170.8 -1.3 -36.6 -22.8 70 74 A E H > S+ 0 0 175 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.909 131.8 47.2 -56.4 -45.6 -0.3 -38.2 -26.1 71 75 A D H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 109.1 54.0 -64.0 -41.8 -3.7 -37.5 -27.7 72 76 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.934 110.8 47.4 -58.6 -42.0 -3.7 -33.8 -26.5 73 77 A I H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.919 108.8 53.7 -64.5 -41.5 -0.3 -33.4 -28.2 74 78 A R H X S+ 0 0 141 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.940 111.5 46.8 -53.2 -48.9 -1.5 -35.1 -31.4 75 79 A C H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.911 112.4 48.2 -59.7 -44.7 -4.4 -32.5 -31.4 76 80 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.861 108.7 54.4 -68.3 -36.6 -2.1 -29.5 -30.7 77 81 A I H X>S+ 0 0 36 -4,-2.7 4,-2.4 2,-0.2 5,-0.5 0.943 113.1 42.1 -61.2 -48.2 0.4 -30.6 -33.4 78 82 A I H X>S+ 0 0 65 -4,-2.0 4,-1.9 -5,-0.2 5,-1.6 0.950 112.7 55.5 -61.2 -46.2 -2.4 -30.7 -36.0 79 83 A S H <5S+ 0 0 2 -4,-2.8 6,-2.1 -5,-0.2 -2,-0.2 0.904 121.1 26.5 -54.0 -48.6 -3.9 -27.5 -34.7 80 84 A H H X5S+ 0 0 9 -4,-2.4 4,-1.5 4,-0.2 -2,-0.2 0.952 125.6 41.6 -81.3 -56.4 -0.7 -25.5 -35.1 81 85 A H H <5S+ 0 0 88 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.811 132.2 20.9 -70.3 -32.2 1.2 -27.2 -37.9 82 86 A L T < - c 0 195A 0 101,-0.3 3,-0.7 -28,-0.2 103,-0.2 -0.994 14.8 -91.4-158.6 162.1 -11.4 -26.8 -13.2 94 98 A T T 3 S+ 0 0 2 101,-2.4 103,-0.1 -2,-0.3 61,-0.0 -0.364 103.0 27.3 -75.1 157.2 -12.5 -27.3 -9.6 95 99 A R T 3 S+ 0 0 53 1,-0.2 -1,-0.2 58,-0.1 57,-0.2 0.755 85.7 172.6 62.7 29.4 -14.5 -30.3 -8.3 96 100 A C X - 0 0 1 -3,-0.7 3,-2.1 1,-0.1 -1,-0.2 -0.432 40.3-132.7 -73.7 140.2 -12.8 -32.4 -11.1 97 101 A G G > S+ 0 0 27 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.758 101.4 73.2 -61.7 -22.3 -13.3 -36.1 -11.1 98 102 A M G 3 S+ 0 0 10 1,-0.3 46,-2.0 2,-0.2 -1,-0.3 0.563 89.8 61.0 -71.9 -6.4 -9.6 -36.7 -11.6 99 103 A L G < S+ 0 0 0 -3,-2.1 50,-2.3 44,-0.2 -1,-0.3 0.480 99.5 59.8 -84.6 -8.8 -9.1 -35.6 -8.0 100 104 A A S < S+ 0 0 13 -3,-2.2 2,-0.3 48,-0.2 51,-0.2 0.283 100.6 32.0-115.7 4.7 -11.3 -38.5 -6.7 101 105 A F - 0 0 52 -3,-0.2 2,-0.4 -4,-0.2 48,-0.1 -0.949 63.3-126.6-148.0 176.0 -9.8 -41.9 -7.8 102 106 A T > - 0 0 53 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.949 23.2-122.8-124.6 151.7 -6.5 -43.6 -8.5 103 107 A D H > S+ 0 0 51 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.912 110.4 51.9 -52.5 -50.4 -5.4 -45.5 -11.6 104 108 A D H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 107.4 51.2 -66.2 -36.7 -4.7 -48.7 -9.7 105 109 A L H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 113.6 43.8 -60.6 -50.2 -8.1 -48.8 -8.0 106 110 A L H X S+ 0 0 37 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.915 114.2 50.9 -63.7 -43.6 -10.0 -48.4 -11.3 107 111 A R H X S+ 0 0 48 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.937 112.6 45.7 -55.0 -51.0 -7.8 -50.9 -13.1 108 112 A A H X>S+ 0 0 23 -4,-2.4 5,-2.5 -5,-0.2 4,-1.3 0.898 112.1 51.6 -64.6 -39.2 -8.2 -53.5 -10.3 109 113 A G H <5S+ 0 0 0 -4,-2.5 23,-0.4 7,-0.2 3,-0.4 0.937 112.3 45.9 -62.5 -44.4 -12.0 -52.9 -10.2 110 114 A L H <5S+ 0 0 59 -4,-2.8 22,-1.5 1,-0.2 23,-1.1 0.914 109.8 54.9 -64.2 -39.5 -12.2 -53.4 -14.0 111 115 A E H <5S- 0 0 96 -4,-2.6 -1,-0.2 21,-0.2 -2,-0.2 0.754 125.5 -99.6 -61.5 -27.9 -10.0 -56.5 -13.8 112 116 A G T <5 + 0 0 34 -4,-1.3 2,-0.4 -3,-0.4 -3,-0.2 0.526 63.6 156.5 116.6 5.7 -12.3 -58.1 -11.3 113 117 A D >< - 0 0 88 -5,-2.5 4,-2.5 1,-0.2 -1,-0.3 -0.503 34.6-149.8 -58.2 116.9 -10.8 -57.6 -7.9 114 118 A A H > S+ 0 0 65 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.911 93.4 52.4 -64.2 -37.4 -14.0 -57.8 -5.7 115 119 A A H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.962 111.5 45.3 -61.6 -46.0 -12.6 -55.5 -3.1 116 120 A A H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 -7,-0.2 0.931 110.4 55.2 -65.2 -41.1 -11.7 -52.8 -5.6 117 121 A E H X S+ 0 0 63 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.923 111.9 43.4 -55.4 -45.3 -15.1 -53.2 -7.3 118 122 A K H X S+ 0 0 140 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.936 112.2 52.9 -67.2 -44.7 -16.9 -52.6 -3.9 119 123 A L H X S+ 0 0 90 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.876 106.3 52.9 -62.4 -37.8 -14.6 -49.7 -3.1 120 124 A I H X S+ 0 0 15 -4,-2.8 4,-2.0 1,-0.2 6,-0.3 0.909 107.5 51.9 -67.2 -37.4 -15.3 -48.0 -6.4 121 125 A G H X S+ 0 0 18 -4,-1.7 4,-2.3 1,-0.2 5,-0.5 0.912 109.9 49.7 -58.0 -42.7 -19.1 -48.2 -5.7 122 126 A Q H < S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.6 45.8 -65.1 -33.3 -18.6 -46.6 -2.3 123 127 A A H < S+ 0 0 52 -4,-1.8 28,-0.6 -5,-0.2 -1,-0.2 0.793 122.2 34.6 -79.0 -30.6 -16.5 -43.8 -3.8 124 128 A T H < S- 0 0 55 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.656 94.0-131.1-100.3 -19.6 -18.9 -43.1 -6.7 125 129 A G S < S+ 0 0 74 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.666 75.0 102.6 69.6 17.2 -22.3 -43.8 -5.2 126 130 A R S S- 0 0 159 -5,-0.5 2,-2.0 -6,-0.3 -1,-0.3 -0.873 87.7 -96.6-125.1 167.3 -23.2 -45.9 -8.2 127 131 A A - 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