==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-08 3DKU . COMPND 2 MOLECULE: PUTATIVE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI APEC O1; . AUTHOR M.K.HONG,J.K.KIM,J.H.JUNG,J.W.JUNG,J.Y.CHOI,L.W.KANG . 1201 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 796 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 256 21.3 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 . 1 0.1 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 . 116 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 3 5 0 0 0 2 4 2 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 0 0 0 0 0 0 8 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 . 10 9 9 6 5 4 0 8 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 1 0 0 1 0 3 4 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 0 180 0, 0.0 2,-0.4 0, 0.0 192,-0.1 0.000 360.0 360.0 360.0 47.9 -6.8 -14.9 -19.5 2 2 A F - 0 0 64 190,-0.2 158,-0.5 158,-0.1 190,-0.1 -0.652 360.0-173.5 -67.1 132.9 -9.3 -12.7 -21.6 3 3 A K - 0 0 54 -2,-0.4 156,-0.1 156,-0.1 190,-0.0 -0.978 12.1-144.8-140.6 123.2 -7.3 -11.3 -24.5 4 4 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 75,-0.2 -0.278 27.9-100.9 -84.9 167.7 -8.5 -8.8 -27.0 5 5 A H E -a 79 0A 37 73,-4.6 75,-2.1 152,-0.1 2,-0.6 -0.782 40.4-152.9 -85.4 125.5 -7.7 -8.5 -30.8 6 6 A V E +a 80 0A 2 -2,-0.5 32,-3.3 150,-0.4 2,-0.3 -0.901 20.4 168.9-110.6 125.9 -5.0 -5.9 -31.1 7 7 A T E -aB 81 37A 14 73,-2.2 75,-2.7 -2,-0.6 2,-0.3 -0.909 21.1-148.6-129.8 158.6 -4.6 -3.9 -34.4 8 8 A V E -aB 82 36A 0 28,-2.4 28,-2.0 -2,-0.3 2,-0.3 -0.909 13.5-171.3-119.5 152.0 -2.8 -0.9 -35.7 9 9 A A E -aB 83 35A 0 73,-2.3 75,-2.8 -2,-0.3 2,-0.5 -0.961 12.1-139.1-137.7 158.6 -3.9 1.6 -38.5 10 10 A C E -a 84 0A 0 24,-1.0 2,-1.0 -2,-0.3 75,-0.2 -0.956 5.5-157.7-124.0 123.8 -2.3 4.5 -40.4 11 11 A V E -a 85 0A 2 73,-3.0 75,-2.8 -2,-0.5 2,-0.6 -0.856 23.5-171.5 -88.8 108.4 -3.7 7.8 -41.4 12 12 A V E -a 86 0A 1 -2,-1.0 7,-2.3 7,-0.4 2,-0.4 -0.925 4.3-170.6-107.7 115.0 -1.3 8.6 -44.3 13 13 A H E +aC 87 18A 39 73,-2.1 75,-2.6 -2,-0.6 2,-0.3 -0.870 14.7 162.2-118.2 133.2 -1.8 12.1 -45.5 14 14 A A E > - C 0 17A 2 3,-2.7 3,-1.6 -2,-0.4 75,-0.1 -0.951 67.9 -21.3-151.7 134.1 -0.4 13.9 -48.6 15 15 A E T 3 S- 0 0 121 73,-0.4 3,-0.1 -2,-0.3 74,-0.0 0.823 127.8 -43.2 24.1 73.8 -1.5 17.1 -50.4 16 16 A G T 3 S+ 0 0 44 1,-0.2 93,-0.3 92,-0.0 2,-0.3 0.643 119.5 110.1 65.7 20.3 -5.0 17.1 -49.0 17 17 A K E < -C 14 0A 78 -3,-1.6 -3,-2.7 91,-0.1 2,-0.4 -0.961 54.6-147.7-136.1 144.0 -5.4 13.4 -49.6 18 18 A F E -CD 13 107A 9 89,-3.7 89,-2.9 -2,-0.3 2,-0.5 -0.930 23.7-120.0-115.2 134.7 -5.7 10.3 -47.4 19 19 A L E + D 0 106A 1 -7,-2.3 -7,-0.4 -2,-0.4 2,-0.3 -0.610 35.5 178.5 -74.3 121.4 -4.4 6.8 -48.4 20 20 A V E - D 0 105A 0 85,-3.1 85,-2.8 -2,-0.5 2,-0.4 -0.919 17.5-146.9-125.1 141.0 -7.1 4.2 -48.5 21 21 A V E -ED 32 104A 3 11,-2.3 11,-1.8 -2,-0.3 2,-0.3 -0.933 14.1-138.4-109.4 139.2 -6.9 0.5 -49.4 22 22 A E E +ED 31 103A 13 81,-2.5 80,-2.5 -2,-0.4 81,-0.6 -0.756 25.9 171.3 -97.7 142.3 -9.7 -1.4 -51.1 23 23 A E E -E 30 0A 37 7,-2.1 7,-4.4 -2,-0.3 2,-0.6 -0.996 33.2-130.1-154.1 139.9 -10.8 -4.9 -50.1 24 24 A T E -E 29 0A 68 76,-0.5 5,-0.2 -2,-0.3 3,-0.0 -0.869 24.0-177.3 -93.0 117.4 -13.6 -7.3 -50.9 25 25 A I S S- 0 0 91 3,-2.0 2,-0.2 -2,-0.6 -1,-0.2 0.964 75.0 -31.7 -82.3 -71.3 -15.0 -8.6 -47.5 26 26 A N S S- 0 0 130 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 -0.670 130.0 -27.5-146.5 97.7 -17.6 -11.1 -48.7 27 27 A G S S+ 0 0 71 -2,-0.2 2,-0.5 1,-0.1 -3,-0.0 0.272 118.0 96.4 86.3 -8.6 -19.0 -9.9 -52.0 28 28 A K - 0 0 145 2,-0.0 -3,-2.0 89,-0.0 2,-0.7 -0.944 68.2-133.8-131.2 130.9 -18.3 -6.2 -51.3 29 29 A A E +E 24 0A 41 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.627 39.8 179.3 -73.7 109.2 -15.6 -3.7 -52.2 30 30 A L E -E 23 0A 27 -7,-4.4 -7,-2.1 -2,-0.7 2,-0.4 -0.827 21.4-130.0-117.6 154.1 -14.9 -1.8 -48.9 31 31 A W E +Ef 22 118A 24 86,-2.8 88,-3.1 -2,-0.3 89,-0.4 -0.849 28.9 161.1-104.7 142.2 -12.4 0.9 -47.8 32 32 A N E -E 21 0A 17 -11,-1.8 -11,-2.3 -2,-0.4 91,-0.0 -0.958 43.2 -97.7-140.9 161.6 -10.1 1.0 -44.8 33 33 A Q - 0 0 2 -2,-0.3 2,-0.8 -13,-0.2 -13,-0.2 -0.517 66.2 -80.9 -62.8 153.4 -7.0 2.8 -43.5 34 34 A P S S+ 0 0 1 0, 0.0 -24,-1.0 0, 0.0 2,-0.2 -0.448 84.0 148.2 -54.5 99.4 -3.8 0.8 -44.2 35 35 A A E +B 9 0A 10 -2,-0.8 2,-0.3 -26,-0.2 -26,-0.2 -0.749 22.6 147.3-137.2 176.4 -4.3 -1.6 -41.2 36 36 A G E -B 8 0A 15 -28,-2.0 -28,-2.4 -2,-0.2 2,-0.1 -0.972 42.9 -48.0 172.3-177.6 -3.8 -5.0 -39.6 37 37 A H E -B 7 0A 68 -2,-0.3 -30,-0.3 -30,-0.2 2,-0.2 -0.401 47.8-118.2 -75.4 139.5 -3.2 -7.4 -36.7 38 38 A L - 0 0 3 -32,-3.3 -32,-0.2 -2,-0.1 2,-0.2 -0.579 36.7-147.6 -73.0 139.9 -0.4 -6.9 -34.1 39 39 A E > - 0 0 88 -2,-0.2 3,-1.1 4,-0.2 8,-0.1 -0.617 21.6 -79.3-108.7 169.8 2.1 -9.8 -34.1 40 40 A A T 3 S+ 0 0 53 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.337 110.9 6.7 -58.8 139.3 4.3 -11.7 -31.6 41 41 A D T 3 S+ 0 0 94 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.740 102.6 122.1 67.0 24.6 7.5 -10.0 -30.6 42 42 A E < - 0 0 19 -3,-1.1 -1,-0.2 4,-0.0 2,-0.2 -0.919 60.3-125.6-125.0 145.9 6.7 -6.9 -32.5 43 43 A T > - 0 0 6 -2,-0.4 4,-2.8 1,-0.1 -4,-0.2 -0.516 30.1-113.6 -79.3 152.6 6.4 -3.3 -31.3 44 44 A L H > S+ 0 0 0 97,-0.3 4,-2.4 1,-0.2 3,-0.3 0.982 119.2 45.8 -53.0 -56.0 3.2 -1.4 -32.0 45 45 A V H > S+ 0 0 24 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.878 110.7 52.4 -57.8 -38.1 5.0 1.0 -34.3 46 46 A E H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.889 108.0 53.4 -61.1 -37.9 6.7 -1.9 -36.0 47 47 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 -3,-0.3 -2,-0.2 0.977 110.8 46.1 -56.2 -51.3 3.3 -3.5 -36.5 48 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.896 112.4 48.7 -63.4 -42.5 2.1 -0.3 -38.1 49 49 A A H X S+ 0 0 18 -4,-2.7 4,-2.3 2,-0.2 11,-0.2 0.898 114.3 47.6 -61.1 -43.4 5.1 0.1 -40.4 50 50 A R H X S+ 0 0 40 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.968 111.4 48.2 -63.4 -52.7 4.8 -3.5 -41.4 51 51 A E H X S+ 0 0 17 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.904 109.7 54.0 -56.5 -44.5 1.1 -3.4 -42.1 52 52 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.2 6,-0.7 0.896 112.1 44.7 -53.7 -49.9 1.6 -0.2 -44.2 53 53 A W H >X S+ 0 0 116 -4,-2.3 4,-2.7 4,-0.2 3,-1.0 0.973 112.9 49.6 -57.8 -58.2 4.3 -2.0 -46.3 54 54 A E H 3< S+ 0 0 60 -4,-3.0 43,-2.7 1,-0.2 44,-0.8 0.858 119.8 36.7 -52.6 -37.7 2.2 -5.2 -46.8 55 55 A E H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.586 136.4 14.5 -94.6 -8.8 -0.9 -3.3 -47.8 56 56 A T H << S- 0 0 0 -4,-1.1 39,-1.0 -3,-1.0 -2,-0.2 0.312 83.5-127.1-148.3 2.9 0.6 -0.5 -49.9 57 57 A G < + 0 0 24 -4,-2.7 2,-0.3 37,-0.2 -4,-0.2 0.458 68.3 135.5 52.4 -2.6 4.2 -1.2 -50.6 58 58 A I - 0 0 13 -6,-0.7 2,-0.7 -5,-0.1 -1,-0.2 -0.570 46.0-152.4 -74.6 136.8 4.8 2.2 -49.1 59 59 A S + 0 0 101 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.1 -0.827 37.7 128.0-121.4 97.1 7.7 2.1 -46.8 60 60 A A - 0 0 27 -2,-0.7 -8,-0.1 -11,-0.2 -7,-0.1 -0.998 51.7-117.4-150.9 146.0 7.6 4.7 -44.0 61 61 A Q - 0 0 118 -2,-0.3 2,-0.1 1,-0.1 -15,-0.1 -0.533 39.1-104.3 -83.3 144.8 7.8 5.0 -40.3 62 62 A P - 0 0 5 0, 0.0 24,-0.2 0, 0.0 3,-0.1 -0.474 30.2-164.1 -63.3 147.6 4.8 6.2 -38.2 63 63 A Q + 0 0 73 22,-2.1 75,-0.3 1,-0.4 2,-0.3 0.839 60.5 7.1-103.1 -47.9 5.2 9.8 -36.9 64 64 A H E -G 85 0A 49 21,-1.6 21,-2.5 73,-0.1 -1,-0.4 -0.991 64.9-119.9-141.1 147.6 2.7 10.4 -34.2 65 65 A F E +GH 84 136A 0 71,-1.9 71,-2.5 -2,-0.3 19,-0.2 -0.694 26.4 179.2 -77.8 136.2 0.2 8.5 -32.2 66 66 A I E - 0 0 9 17,-2.3 2,-0.3 1,-0.4 18,-0.2 0.748 52.0 -61.7-103.0 -42.6 -3.3 9.9 -32.6 67 67 A R E -G 83 0A 38 16,-1.3 16,-3.7 69,-0.1 2,-0.4 -0.943 37.1-111.1 166.8 167.2 -5.4 7.6 -30.4 68 68 A M E -G 82 0A 0 226,-2.1 2,-0.4 -2,-0.3 14,-0.2 -0.965 21.1-152.8-127.4 140.1 -6.7 4.1 -29.7 69 69 A H E -G 81 0A 0 12,-2.4 12,-2.9 -2,-0.4 2,-0.6 -0.977 1.3-157.7-112.7 124.8 -10.3 2.9 -30.1 70 70 A Q E +Gi 80 297A 10 226,-1.8 228,-2.5 -2,-0.4 2,-0.3 -0.914 35.6 143.9 -97.8 118.8 -11.6 0.1 -28.0 71 71 A W E -G 79 0A 26 8,-1.8 8,-2.8 -2,-0.6 2,-0.5 -0.996 47.8-125.9-153.7 155.2 -14.6 -1.5 -29.7 72 72 A I E -G 78 0A 48 226,-0.4 -2,-0.0 -2,-0.3 8,-0.0 -0.928 28.8-136.8 -99.9 124.3 -16.5 -4.8 -30.5 73 73 A A > - 0 0 6 4,-3.0 3,-1.9 -2,-0.5 47,-0.0 -0.287 31.4-103.8 -65.0 162.5 -17.1 -5.6 -34.2 74 74 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.650 123.4 64.9 -72.2 -8.1 -20.6 -6.9 -35.0 75 75 A D T 3 S- 0 0 110 2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.421 124.8-108.6 -78.3 3.4 -19.2 -10.4 -35.4 76 76 A K < + 0 0 154 -3,-1.9 -4,-0.0 1,-0.2 0, 0.0 0.602 68.6 151.4 74.6 18.2 -18.5 -9.9 -31.6 77 77 A T - 0 0 32 -73,-0.0 -4,-3.0 1,-0.0 2,-0.5 -0.710 40.6-135.9 -83.7 126.0 -14.7 -9.6 -32.0 78 78 A P E - G 0 72A 38 0, 0.0 -73,-4.6 0, 0.0 2,-0.3 -0.696 28.5-177.4 -79.6 117.7 -13.0 -7.3 -29.3 79 79 A F E -aG 5 71A 32 -8,-2.8 -8,-1.8 -2,-0.5 2,-0.5 -0.881 30.4-161.5-119.7 147.6 -10.4 -4.9 -30.6 80 80 A L E -aG 6 70A 1 -75,-2.1 -73,-2.2 -2,-0.3 2,-0.6 -0.989 28.1-166.7-114.6 113.7 -7.9 -2.4 -29.2 81 81 A R E -aG 7 69A 11 -12,-2.9 -12,-2.4 -2,-0.5 2,-0.5 -0.900 8.7-159.8-115.9 114.8 -7.1 -0.3 -32.3 82 82 A F E -aG 8 68A 0 -75,-2.7 -73,-2.3 -2,-0.6 2,-0.5 -0.834 9.5-156.7-101.1 124.3 -4.1 2.0 -32.3 83 83 A L E -aG 9 67A 0 -16,-3.7 -17,-2.3 -2,-0.5 -16,-1.3 -0.875 10.3-170.9-108.5 125.6 -4.2 4.8 -34.9 84 84 A F E -aG 10 65A 0 -75,-2.8 -73,-3.0 -2,-0.5 2,-0.4 -0.650 14.9-133.2-112.1 168.3 -1.1 6.5 -36.1 85 85 A A E +aG 11 64A 2 -21,-2.5 -22,-2.1 -2,-0.2 -21,-1.6 -0.984 17.4 180.0-125.2 131.1 -0.3 9.5 -38.4 86 86 A I E -a 12 0A 1 -75,-2.8 -73,-2.1 -2,-0.4 2,-0.4 -0.957 10.0-162.5-129.8 110.6 2.2 9.7 -41.2 87 87 A E E -a 13 0A 54 -2,-0.4 2,-0.4 -75,-0.2 -73,-0.2 -0.781 8.2-165.8 -88.2 136.0 2.5 13.0 -43.1 88 88 A L - 0 0 45 -75,-2.6 -73,-0.4 -2,-0.4 3,-0.1 -0.977 26.1-132.4-123.3 142.2 4.3 12.8 -46.5 89 89 A E S S+ 0 0 159 -2,-0.4 2,-0.3 1,-0.2 -75,-0.1 0.678 90.3 2.6 -66.1 -16.6 5.6 15.7 -48.5 90 90 A Q S S- 0 0 114 -77,-0.1 -1,-0.2 -76,-0.1 -77,-0.0 -0.969 86.0 -88.1-164.8 150.0 3.9 14.3 -51.6 91 91 A I - 0 0 27 -2,-0.3 -76,-0.0 -3,-0.1 306,-0.0 -0.220 47.9-162.0 -49.8 145.7 1.7 11.5 -52.8 92 92 A C - 0 0 32 304,-0.1 304,-0.1 1,-0.1 -34,-0.1 -0.960 24.7 -84.5-135.6 160.6 3.7 8.4 -53.8 93 93 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 304,-0.2 -0.118 42.9-154.3 -55.6 159.9 3.1 5.2 -55.9 94 94 A T B +J 396 0B 9 302,-2.3 302,-2.6 300,-0.1 -37,-0.2 -0.981 20.7 169.2-138.0 146.5 1.5 2.3 -54.2 95 95 A Q - 0 0 26 -39,-1.0 -39,-0.2 -2,-0.3 8,-0.1 -0.780 28.2-134.2-156.3 112.4 1.6 -1.5 -54.8 96 96 A P - 0 0 32 0, 0.0 -41,-0.2 0, 0.0 -42,-0.1 -0.317 14.0-168.8 -72.9 155.7 0.2 -3.9 -52.3 97 97 A H S S+ 0 0 86 -43,-2.7 2,-0.6 -44,-0.3 -42,-0.2 0.221 71.5 81.6-116.4 6.3 2.1 -7.1 -51.3 98 98 A D S > S- 0 0 41 -44,-0.8 3,-2.8 -45,-0.1 -1,-0.1 -0.954 72.2-147.7-122.0 109.2 -0.9 -8.6 -49.6 99 99 A S T 3 S+ 0 0 121 -2,-0.6 -1,-0.1 1,-0.3 -44,-0.0 0.599 93.0 75.9 -51.1 -18.8 -3.4 -10.3 -51.9 100 100 A D T 3 S+ 0 0 90 -77,-0.1 2,-0.5 2,-0.0 -76,-0.5 0.719 85.2 78.7 -57.8 -24.0 -6.3 -9.3 -49.6 101 101 A I < - 0 0 11 -3,-2.8 -78,-0.2 1,-0.2 3,-0.1 -0.785 58.0-173.4-102.6 124.4 -5.9 -5.8 -51.1 102 102 A D - 0 0 64 -80,-2.5 306,-0.5 -2,-0.5 2,-0.3 0.926 66.0 -33.3 -82.1 -48.7 -7.3 -5.1 -54.5 103 103 A C E -D 22 0A 2 -81,-0.6 -81,-2.5 304,-0.1 2,-0.4 -0.959 54.9-115.9-158.4 170.9 -5.9 -1.7 -55.0 104 104 A C E -D 21 0A 10 302,-0.4 302,-0.4 -2,-0.3 2,-0.3 -0.942 25.2-173.0-115.4 149.8 -4.9 1.6 -53.3 105 105 A R E -D 20 0A 15 -85,-2.8 -85,-3.1 -2,-0.4 2,-0.5 -0.999 21.8-140.8-140.8 143.2 -6.4 5.0 -53.7 106 106 A W E +D 19 0A 35 298,-0.4 2,-0.3 -2,-0.3 -87,-0.2 -0.888 38.2 173.0 -94.3 125.3 -5.6 8.5 -52.4 107 107 A V E -D 18 0A 15 -89,-2.9 -89,-3.7 -2,-0.5 2,-0.0 -0.923 31.4-102.3-138.9 157.9 -8.9 10.2 -51.6 108 108 A S > - 0 0 17 -2,-0.3 4,-1.1 -91,-0.2 5,-0.1 -0.329 34.2-112.5 -74.0 165.4 -10.2 13.5 -50.0 109 109 A A H >> S+ 0 0 8 -93,-0.3 4,-3.2 2,-0.2 3,-0.5 0.915 118.8 50.5 -62.0 -49.2 -11.5 13.7 -46.4 110 110 A E H 3> S+ 0 0 125 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.904 104.2 59.6 -55.1 -42.8 -15.1 14.4 -47.6 111 111 A E H 3> S+ 0 0 114 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.847 113.3 37.6 -59.0 -31.8 -14.8 11.4 -49.9 112 112 A I H << S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.883 116.9 50.8 -84.0 -43.1 -14.2 9.1 -46.8 113 113 A L H < S+ 0 0 52 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.926 117.0 39.4 -58.0 -46.5 -16.6 11.0 -44.5 114 114 A Q H < S+ 0 0 167 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.754 94.1 114.4 -74.2 -24.7 -19.5 10.8 -47.0 115 115 A A < - 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