==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-99 1DKP . COMPND 2 MOLECULE: PHYTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LIM,S.GOLOVAN,C.W.FORSBERG,Z.JIA . 410 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 1 0 0 0 0 4 0 0 1 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 0 PARALLEL BRIDGES PER LADDER . 3 2 1 0 1 0 0 0 2 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 . 2 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 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 Q 0 0 208 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.1 29.6 16.5 52.1 2 2 A S - 0 0 129 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.300 360.0-147.3 -55.2 134.7 28.3 15.4 48.8 3 3 A E - 0 0 157 1,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.797 23.6 -95.1-107.7 148.2 28.7 18.1 46.2 4 4 A P - 0 0 85 0, 0.0 337,-0.1 0, 0.0 -1,-0.1 -0.377 24.0-152.8 -61.7 137.3 26.4 18.9 43.3 5 5 A E S S+ 0 0 100 336,-0.1 336,-1.6 335,-0.1 337,-0.5 0.566 78.6 58.2 -87.5 -9.8 27.6 17.2 40.1 6 6 A L E -A 340 0A 17 334,-0.2 2,-0.5 335,-0.1 334,-0.2 -0.943 66.9-157.1-122.5 143.6 25.9 19.8 37.9 7 7 A K E -A 339 0A 101 332,-2.4 332,-2.8 -2,-0.4 2,-0.2 -0.981 22.2-124.6-122.9 123.8 26.5 23.6 37.9 8 8 A L E +A 338 0A 4 -2,-0.5 330,-0.2 61,-0.4 3,-0.1 -0.476 35.3 166.6 -65.8 126.8 23.8 26.0 36.5 9 9 A E E + 0 0 52 328,-2.8 2,-0.3 1,-0.3 329,-0.2 0.599 60.1 12.8-116.3 -19.3 25.3 28.2 33.8 10 10 A S E -A 337 0A 2 327,-1.2 327,-2.5 284,-0.0 2,-0.4 -0.962 54.1-162.9-162.6 141.4 22.3 29.8 32.2 11 11 A V E -Ab 336 297A 0 285,-2.9 287,-2.1 -2,-0.3 2,-0.4 -0.986 2.9-174.0-130.2 136.3 18.5 30.4 32.7 12 12 A V E -Ab 335 298A 0 323,-3.0 323,-3.3 -2,-0.4 2,-0.5 -0.978 7.9-168.4-130.8 118.9 15.8 31.4 30.2 13 13 A I E -Ab 334 299A 0 285,-3.1 287,-3.6 -2,-0.4 2,-0.8 -0.927 9.2-166.3-113.6 118.9 12.3 32.1 31.4 14 14 A V E -Ab 333 300A 1 319,-2.7 319,-3.1 -2,-0.5 2,-0.4 -0.906 24.1-172.7-101.0 112.9 9.4 32.4 29.1 15 15 A S E -Ab 332 301A 0 285,-3.4 287,-3.9 -2,-0.8 317,-0.2 -0.849 23.0-134.8-113.6 144.6 6.6 33.9 31.2 16 16 A R E - b 0 302A 8 315,-2.3 287,-0.3 -2,-0.4 314,-0.2 -0.579 44.6 -92.6 -85.1 156.2 3.0 34.6 30.6 17 17 A A - 0 0 3 285,-1.0 313,-1.6 -2,-0.2 314,-0.3 -0.202 48.2-108.5 -63.3 163.5 1.8 38.0 31.8 18 18 A G - 0 0 3 74,-0.4 312,-0.1 311,-0.3 33,-0.1 -0.122 58.9 -39.5 -86.0-173.0 0.3 38.2 35.2 19 19 A V S S+ 0 0 3 32,-0.2 29,-1.7 310,-0.2 2,-0.3 -0.177 70.9 168.6 -49.7 131.8 -3.2 38.7 36.5 20 20 A R B -I 47 0B 30 27,-0.2 27,-0.2 -3,-0.1 3,-0.1 -0.907 39.7 -91.3-143.0 167.0 -5.1 41.2 34.3 21 21 A A - 0 0 0 25,-1.8 24,-1.0 22,-0.4 18,-0.0 -0.497 64.0 -81.0 -77.1 150.7 -8.6 42.5 33.7 22 22 A P - 0 0 14 0, 0.0 23,-1.5 0, 0.0 24,-0.2 -0.144 37.8-127.0 -50.5 151.0 -10.5 40.7 30.9 23 23 A T S S+ 0 0 57 21,-0.3 2,-0.3 22,-0.2 21,-0.1 0.715 83.0 21.6 -76.7 -20.0 -9.5 41.9 27.5 24 24 A K - 0 0 97 2,-0.0 2,-0.2 21,-0.0 21,-0.1 -0.959 48.4-158.2-146.7 164.6 -13.1 42.6 26.4 25 25 A A + 0 0 76 -2,-0.3 2,-0.1 19,-0.0 19,-0.0 -0.741 34.3 172.8-142.2 83.0 -16.6 43.3 27.5 26 26 A T > - 0 0 65 -2,-0.2 4,-0.7 1,-0.1 5,-0.1 -0.351 45.6-112.0 -91.6 173.1 -18.9 42.4 24.6 27 27 A Q H >> S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.859 117.2 58.1 -71.4 -36.8 -22.7 42.3 24.3 28 28 A L H 3> S+ 0 0 67 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.893 100.5 57.6 -59.9 -39.7 -22.5 38.5 23.9 29 29 A M H 34 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.793 111.6 41.8 -62.1 -28.3 -20.8 38.3 27.3 30 30 A Q H X< S+ 0 0 73 -4,-0.7 3,-1.0 -3,-0.7 146,-0.3 0.772 108.1 60.2 -89.0 -28.8 -23.7 40.0 28.9 31 31 A D H 3< S+ 0 0 46 -4,-2.2 146,-2.5 1,-0.2 147,-0.4 0.690 96.8 60.0 -72.8 -18.2 -26.4 38.1 26.9 32 32 A V T 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 0.375 110.4 41.1 -92.3 6.2 -25.2 34.7 28.3 33 33 A T < - 0 0 2 -3,-1.0 143,-0.2 2,-0.1 138,-0.1 -0.986 61.2-150.3-152.4 139.1 -25.9 35.7 31.9 34 34 A P S S+ 0 0 63 0, 0.0 137,-0.1 0, 0.0 -1,-0.1 0.673 82.3 83.3 -80.0 -16.8 -28.7 37.7 33.7 35 35 A D S S- 0 0 48 135,-0.5 2,-0.5 1,-0.1 -2,-0.1 -0.274 85.2-109.0 -82.7 170.4 -26.1 38.8 36.2 36 36 A A - 0 0 72 -2,-0.1 198,-0.1 3,-0.0 -1,-0.1 -0.869 27.5-118.5-106.7 132.2 -23.6 41.6 35.9 37 37 A W - 0 0 45 -2,-0.5 2,-0.1 1,-0.1 -7,-0.0 -0.439 35.0-111.1 -66.8 132.0 -19.9 41.1 35.5 38 38 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.421 35.4-119.4 -65.3 138.2 -17.8 42.5 38.3 39 39 A T - 0 0 128 -2,-0.1 -3,-0.0 1,-0.1 0, 0.0 -0.422 22.9-130.4 -78.7 154.6 -15.8 45.5 37.3 40 40 A W - 0 0 36 2,-0.2 4,-0.1 -2,-0.1 -1,-0.1 -0.702 13.5-123.3-105.9 157.1 -12.0 45.6 37.4 41 41 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.466 92.9 42.5 -75.4 -5.0 -9.6 48.2 38.9 42 42 A V S S- 0 0 36 4,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.851 98.7 -76.1-135.0 171.9 -7.7 48.7 35.7 43 43 A K > - 0 0 129 -2,-0.3 3,-2.0 1,-0.2 -22,-0.4 -0.181 68.2 -73.0 -64.9 161.3 -8.5 49.1 32.0 44 44 A L T 3 S+ 0 0 91 1,-0.3 -21,-0.3 -21,-0.1 -1,-0.2 -0.248 119.8 10.2 -55.4 139.5 -9.4 46.0 29.9 45 45 A G T 3 S+ 0 0 7 -23,-1.5 47,-0.4 -24,-1.0 -1,-0.3 0.454 100.2 126.7 71.1 0.4 -6.4 43.8 29.3 46 46 A W < - 0 0 105 -3,-2.0 -25,-1.8 -24,-0.2 2,-0.3 -0.591 66.8-103.1 -93.7 154.7 -4.1 45.6 31.7 47 47 A L B -I 20 0B 15 -27,-0.2 -27,-0.2 -2,-0.2 -4,-0.1 -0.543 34.1-137.4 -73.8 133.0 -2.1 44.2 34.6 48 48 A T > - 0 0 1 -29,-1.7 4,-2.0 -2,-0.3 5,-0.2 -0.546 22.7-113.0 -85.9 156.0 -3.6 44.9 38.0 49 49 A P H > S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.882 121.1 54.1 -58.1 -34.1 -1.4 45.9 40.9 50 50 A R H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 105.1 54.1 -64.1 -39.5 -2.1 42.6 42.5 51 51 A G H > S+ 0 0 0 1,-0.2 4,-2.1 -32,-0.2 -32,-0.2 0.886 108.2 49.6 -61.2 -37.1 -1.0 40.9 39.4 52 52 A G H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.889 109.4 51.0 -68.4 -39.3 2.3 42.8 39.6 53 53 A E H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.926 108.8 51.5 -63.2 -44.3 2.7 41.8 43.2 54 54 A L H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.919 112.7 45.2 -59.5 -43.4 2.1 38.1 42.3 55 55 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.914 109.0 57.3 -65.2 -41.2 4.8 38.4 39.5 56 56 A A H X S+ 0 0 24 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.877 102.2 55.7 -56.4 -38.6 7.0 40.2 42.0 57 57 A Y H X S+ 0 0 50 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.928 107.4 47.7 -60.6 -44.7 6.8 37.2 44.3 58 58 A L H X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.862 110.7 52.9 -63.7 -35.5 8.0 34.9 41.6 59 59 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.923 110.4 47.1 -65.0 -42.5 10.8 37.4 40.9 60 60 A H H X S+ 0 0 86 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.935 113.4 48.8 -63.5 -46.9 11.7 37.2 44.6 61 61 A Y H X S+ 0 0 17 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.953 109.8 51.0 -57.4 -52.5 11.6 33.4 44.6 62 62 A Q H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.845 106.5 55.4 -56.2 -36.2 13.7 33.2 41.5 63 63 A R H X S+ 0 0 29 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.945 111.9 42.5 -63.6 -45.2 16.3 35.4 43.0 64 64 A Q H X S+ 0 0 65 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.942 116.0 49.8 -63.8 -47.2 16.6 33.2 46.1 65 65 A R H X S+ 0 0 25 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.945 112.2 45.8 -56.6 -52.8 16.6 30.1 43.9 66 66 A L H <>S+ 0 0 0 -4,-3.2 5,-2.8 1,-0.2 6,-1.1 0.774 109.6 56.2 -64.5 -27.6 19.3 31.4 41.5 67 67 A V H ><5S+ 0 0 35 -4,-1.6 3,-1.7 -5,-0.2 -1,-0.2 0.921 104.8 51.2 -69.9 -44.8 21.5 32.5 44.4 68 68 A A H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.779 110.7 49.6 -62.9 -26.6 21.5 29.0 46.0 69 69 A D T 3<5S- 0 0 56 -4,-1.2 -61,-0.4 -5,-0.2 -1,-0.3 0.376 115.2-122.8 -92.1 3.3 22.5 27.7 42.5 70 70 A G T < 5S+ 0 0 59 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.724 80.3 116.8 64.5 25.9 25.3 30.3 42.5 71 71 A L S > - 0 0 147 1,-0.2 3,-1.3 2,-0.1 4,-0.6 -0.051 63.2 -66.1 -58.0 168.1 26.3 42.9 37.1 80 80 A S T 34 S- 0 0 133 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 -0.416 121.9 -3.4 -62.7 117.8 25.6 44.9 33.9 81 81 A G T 34 S+ 0 0 43 -2,-0.3 -1,-0.3 2,-0.3 216,-0.2 0.285 94.8 118.2 84.5 -12.4 23.8 42.6 31.5 82 82 A Q T <4 S+ 0 0 30 -3,-1.3 215,-2.3 1,-0.2 2,-0.5 0.860 83.1 38.9 -54.4 -34.7 23.9 39.6 33.8 83 83 A V E < S-c 297 0A 9 -4,-0.6 2,-0.4 213,-0.2 -2,-0.3 -0.974 75.1-175.8-120.9 121.8 20.1 39.8 33.8 84 84 A A E -c 298 0A 4 213,-3.0 215,-2.6 -2,-0.5 2,-0.4 -0.947 4.4-165.6-118.7 139.0 18.2 40.7 30.6 85 85 A I E -cd 299 112A 0 26,-0.6 28,-2.6 -2,-0.4 2,-0.4 -0.987 4.8-176.2-127.6 128.3 14.4 41.2 30.3 86 86 A I E -cd 300 113A 2 213,-2.9 215,-3.2 -2,-0.4 2,-0.3 -0.949 7.1-177.0-121.8 142.0 12.4 41.3 27.1 87 87 A A E -c 301 0A 0 26,-2.4 28,-0.5 -2,-0.4 215,-0.2 -0.975 29.7-110.6-140.2 153.3 8.7 42.0 26.8 88 88 A D - 0 0 10 213,-1.7 6,-0.1 -2,-0.3 30,-0.0 -0.346 44.5-104.6 -71.9 163.3 6.0 42.1 24.2 89 89 A V S S+ 0 0 18 31,-0.1 -1,-0.1 28,-0.1 25,-0.1 0.611 85.7 113.7 -69.0 -12.4 4.8 45.7 23.5 90 90 A D S > S- 0 0 53 1,-0.1 4,-2.5 4,-0.1 5,-0.2 -0.240 76.0-123.4 -61.0 149.0 1.5 45.1 25.4 91 91 A E H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 111.3 51.6 -59.8 -40.8 1.0 47.1 28.6 92 92 A R H > S+ 0 0 47 -47,-0.4 4,-1.3 2,-0.2 -74,-0.4 0.844 111.8 44.6 -68.7 -33.1 0.5 43.9 30.6 93 93 A T H > S+ 0 0 0 2,-0.2 4,-2.3 3,-0.2 -2,-0.2 0.889 112.9 51.1 -77.5 -39.1 3.7 42.2 29.4 94 94 A R H X S+ 0 0 76 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.961 114.1 44.9 -59.1 -50.1 5.8 45.4 29.8 95 95 A K H X S+ 0 0 90 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.800 109.3 55.9 -65.3 -29.8 4.5 45.7 33.4 96 96 A T H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.898 107.3 49.3 -68.9 -39.8 5.1 42.0 34.0 97 97 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.876 113.3 47.7 -64.8 -35.9 8.7 42.4 33.0 98 98 A E H X S+ 0 0 77 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.895 110.8 50.0 -70.9 -42.1 8.9 45.4 35.4 99 99 A A H X S+ 0 0 13 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.856 110.9 50.6 -65.5 -35.7 7.2 43.5 38.3 100 100 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.920 110.8 47.6 -68.8 -43.6 9.6 40.6 37.8 101 101 A A H X S+ 0 0 7 -4,-1.9 4,-3.3 1,-0.2 -2,-0.2 0.952 110.0 53.8 -60.9 -48.1 12.7 42.8 37.9 102 102 A A H < S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 114.7 40.6 -54.0 -40.9 11.3 44.6 41.0 103 103 A G H < S+ 0 0 8 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.852 116.0 50.2 -77.9 -34.6 11.0 41.3 42.8 104 104 A L H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.903 135.7 1.5 -70.4 -43.5 14.2 39.9 41.5 105 105 A A S >< S- 0 0 2 -4,-3.3 3,-1.8 -5,-0.2 4,-0.3 -0.611 82.2-144.3-148.0 81.3 16.4 42.9 42.4 106 106 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.043 82.1 4.6 -46.9 146.2 14.4 45.6 44.2 107 107 A D T 3 S+ 0 0 169 1,-0.1 -30,-0.1 3,-0.0 -5,-0.1 0.621 98.8 110.9 50.8 19.1 15.5 49.2 43.4 108 108 A a S < S- 0 0 30 -3,-1.8 -1,-0.1 -7,-0.2 -6,-0.1 0.567 70.5-142.2 -96.3 -9.8 18.0 47.9 40.8 109 109 A A - 0 0 94 -4,-0.3 2,-0.5 1,-0.2 -11,-0.0 0.932 20.0-169.3 50.3 59.6 16.2 49.3 37.8 110 110 A I - 0 0 29 -5,-0.2 -1,-0.2 -12,-0.1 -9,-0.1 -0.693 28.1-113.6 -79.6 128.3 16.8 46.4 35.4 111 111 A T - 0 0 89 -2,-0.5 2,-0.7 1,-0.1 -26,-0.6 -0.323 16.7-145.5 -64.8 141.6 15.7 47.6 32.0 112 112 A V E -d 85 0A 19 -28,-0.1 2,-0.3 -2,-0.0 -26,-0.2 -0.917 22.1-155.7-108.3 102.8 12.7 45.9 30.3 113 113 A H E +d 86 0A 51 -28,-2.6 -26,-2.4 -2,-0.7 2,-0.3 -0.603 18.9 168.7 -84.5 139.1 13.5 45.9 26.6 114 114 A T - 0 0 21 -2,-0.3 -26,-0.1 -28,-0.2 4,-0.1 -0.829 48.6 -67.1-136.4 175.0 10.7 45.8 24.0 115 115 A Q - 0 0 41 -28,-0.5 5,-0.1 -2,-0.3 7,-0.1 -0.413 49.8-124.1 -61.8 143.9 10.5 46.2 20.2 116 116 A T S S+ 0 0 144 1,-0.1 2,-1.1 2,-0.1 -1,-0.1 0.923 99.9 66.1 -59.4 -48.0 11.1 49.9 19.5 117 117 A D > + 0 0 78 1,-0.2 3,-0.8 4,-0.1 -1,-0.1 -0.670 63.5 178.3 -80.0 101.2 7.9 50.5 17.7 118 118 A T T 3 S+ 0 0 64 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.529 73.1 63.0 -81.8 -7.3 5.3 50.0 20.4 119 119 A S T 3 S+ 0 0 115 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.379 99.6 62.7 -98.3 3.7 2.3 50.8 18.3 120 120 A S S < S- 0 0 45 -3,-0.8 -31,-0.1 -5,-0.1 -5,-0.1 -0.933 94.5-100.7-125.6 147.2 3.0 47.8 16.1 121 121 A P - 0 0 51 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.295 32.0-119.7 -67.8 157.8 2.9 44.1 17.1 122 122 A D > - 0 0 7 1,-0.1 3,-1.8 -4,-0.1 4,-0.4 -0.874 11.8-151.8 -99.6 113.4 6.2 42.3 17.8 123 123 A P G > S+ 0 0 26 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.762 88.8 77.3 -55.3 -26.0 6.7 39.3 15.5 124 124 A L G 3 S+ 0 0 4 1,-0.3 147,-0.4 2,-0.2 150,-0.1 0.887 101.3 40.8 -51.7 -38.1 8.8 37.6 18.1 125 125 A F G < S+ 0 0 5 -3,-1.8 -1,-0.3 1,-0.2 178,-0.1 0.485 139.3 2.6 -91.2 -3.3 5.6 36.7 19.9 126 126 A N <> - 0 0 11 -3,-1.4 4,-1.0 -4,-0.4 -1,-0.2 -0.331 55.6-178.7 179.2 87.9 3.5 35.8 16.8 127 127 A P T 4>S+ 0 0 0 0, 0.0 6,-1.5 0, 0.0 5,-1.5 0.554 82.6 65.8 -72.5 -6.4 5.2 35.9 13.3 128 128 A L T >45S+ 0 0 5 4,-0.2 3,-1.2 3,-0.2 76,-0.1 0.941 99.5 46.0 -78.5 -50.0 1.8 34.9 11.8 129 129 A K T 345S+ 0 0 125 1,-0.3 -1,-0.1 -3,-0.2 74,-0.1 0.786 113.7 49.7 -63.2 -31.9 -0.1 38.1 12.6 130 130 A T T 3<5S- 0 0 50 -4,-1.0 -1,-0.3 -7,-0.1 -2,-0.2 0.438 115.0-114.0 -89.3 -0.4 2.7 40.3 11.4 131 131 A G T < 5S+ 0 0 55 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.605 75.2 132.2 81.0 11.8 3.1 38.5 8.1 132 132 A V S - 0 0 99 126,-0.3 4,-3.2 -2,-0.3 5,-0.3 -0.793 29.9-158.8 -85.2 103.9 -0.8 26.1 5.2 137 137 A N H > S+ 0 0 74 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.908 86.3 44.9 -50.9 -53.7 -4.6 26.5 5.4 138 138 A A H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 117.6 44.5 -61.8 -41.2 -5.5 23.1 4.0 139 139 A N H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.909 115.0 46.6 -72.1 -42.6 -2.9 21.3 6.2 140 140 A V H X S+ 0 0 1 -4,-3.2 4,-2.3 2,-0.2 5,-0.3 0.889 109.7 55.5 -66.0 -38.4 -3.7 23.2 9.4 141 141 A T H X S+ 0 0 41 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.935 111.4 43.8 -59.7 -45.8 -7.5 22.6 8.8 142 142 A D H X S+ 0 0 109 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.859 112.4 51.7 -67.5 -38.7 -6.9 18.9 8.6 143 143 A A H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.888 113.1 44.3 -66.9 -41.6 -4.6 18.7 11.6 144 144 A I H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.923 115.2 46.8 -70.2 -45.9 -7.0 20.6 13.9 145 145 A L H <>S+ 0 0 50 -4,-2.1 5,-3.1 -5,-0.3 3,-0.4 0.926 111.1 54.2 -62.7 -41.8 -10.0 18.7 12.8 146 146 A S H ><5S+ 0 0 80 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.934 109.7 45.2 -57.8 -47.3 -8.1 15.5 13.2 147 147 A R H 3<5S+ 0 0 77 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.698 107.8 60.4 -70.9 -17.2 -7.1 16.3 16.8 148 148 A A T 3<5S- 0 0 3 -4,-1.2 3,-0.5 -3,-0.4 -1,-0.3 0.472 124.8-103.8 -85.9 -3.8 -10.8 17.3 17.4 149 149 A G T < 5S- 0 0 52 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.709 74.3 -53.7 88.5 20.3 -11.8 13.8 16.5 150 150 A G S - 0 0 49 -3,-0.5 4,-1.6 -6,-0.2 5,-0.1 -0.990 68.5-126.4-151.0 156.5 -15.4 17.6 14.0 152 152 A I H > S+ 0 0 15 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.821 111.1 62.0 -69.1 -32.0 -15.9 20.4 16.5 153 153 A A H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 106.1 42.5 -60.4 -46.2 -19.4 18.9 17.2 154 154 A D H > S+ 0 0 83 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.887 113.4 55.5 -68.8 -35.3 -17.9 15.7 18.5 155 155 A F H >< S+ 0 0 8 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.956 113.8 37.7 -60.3 -53.1 -15.3 17.7 20.3 156 156 A T H >< S+ 0 0 13 -4,-3.1 3,-2.0 1,-0.2 -1,-0.2 0.850 108.6 64.7 -68.6 -33.9 -17.8 19.8 22.2 157 157 A G H >< S+ 0 0 40 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.2 0.819 99.7 53.6 -59.0 -29.9 -20.2 16.8 22.6 158 158 A H T << S+ 0 0 144 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.508 112.0 45.2 -82.3 -3.9 -17.5 15.2 24.7 159 159 A R T <> S+ 0 0 76 -3,-2.0 4,-2.0 -4,-0.2 3,-0.4 0.088 71.5 116.4-125.3 20.5 -17.3 18.2 27.0 160 160 A Q H <> S+ 0 0 52 -3,-0.8 4,-3.1 1,-0.2 5,-0.3 0.856 74.2 60.6 -58.3 -35.7 -21.0 18.9 27.5 161 161 A T H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.928 107.3 44.2 -59.2 -42.8 -20.6 18.3 31.2 162 162 A A H > S+ 0 0 6 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.862 113.0 52.1 -69.5 -35.5 -18.1 21.1 31.4 163 163 A F H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.910 108.1 50.4 -67.0 -41.3 -20.4 23.3 29.3 164 164 A R H X S+ 0 0 138 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.839 107.0 55.6 -65.3 -31.3 -23.4 22.6 31.5 165 165 A E H X S+ 0 0 39 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.889 109.5 46.1 -67.1 -38.7 -21.2 23.6 34.5 166 166 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.906 110.8 52.3 -69.0 -42.8 -20.5 26.9 32.8 167 167 A E H X>S+ 0 0 24 -4,-2.5 5,-2.7 2,-0.2 4,-1.2 0.910 109.9 50.1 -58.2 -42.1 -24.2 27.4 32.0 168 168 A R H ><5S+ 0 0 94 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.944 109.9 49.3 -62.2 -48.3 -24.9 26.8 35.7 169 169 A V H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.5 43.0 -61.2 -33.1 -22.3 29.3 36.8 170 170 A L H 3<5S- 0 0 0 -4,-2.2 -135,-0.5 -5,-0.1 -1,-0.2 0.600 104.0-128.4 -86.6 -13.0 -23.8 31.9 34.4 171 171 A N T X<5 + 0 0 55 -4,-1.2 3,-1.4 -3,-0.7 -3,-0.2 0.945 42.3 176.3 57.7 45.9 -27.4 31.0 35.2 172 172 A F G > < + 0 0 0 -5,-2.7 3,-2.2 1,-0.3 6,-0.4 0.840 63.6 68.0 -51.1 -43.0 -27.6 30.7 31.5 173 173 A P G 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.816 103.1 46.4 -52.5 -29.9 -31.3 29.6 31.5 174 174 A Q G < S+ 0 0 111 -3,-1.4 2,-0.2 -142,-0.1 -2,-0.2 -0.023 92.8 114.5-102.1 30.1 -32.4 33.0 32.7 175 175 A S S <> S- 0 0 0 -3,-2.2 4,-2.7 -143,-0.1 3,-0.3 -0.599 77.9-116.5 -98.7 160.8 -30.2 34.9 30.2 176 176 A N H > S+ 0 0 88 -146,-0.3 4,-2.7 1,-0.2 -144,-0.1 0.905 115.9 59.2 -60.9 -40.2 -31.3 37.2 27.3 177 177 A L H 4 S+ 0 0 48 -146,-2.5 -1,-0.2 1,-0.2 -145,-0.1 0.881 112.9 39.1 -56.7 -38.3 -29.8 34.7 24.9 178 178 A c H >4 S+ 0 0 1 -6,-0.4 3,-1.3 -147,-0.4 -2,-0.2 0.947 117.3 46.3 -76.2 -51.4 -32.0 32.0 26.2 179 179 A L H 3< S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.892 113.1 48.2 -59.8 -44.9 -35.2 33.9 26.7 180 180 A K T 3< S+ 0 0 161 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.3 0.220 86.1 117.9 -84.9 17.0 -35.2 35.7 23.3 181 181 A R < - 0 0 39 -3,-1.3 3,-0.2 1,-0.1 -3,-0.0 -0.655 52.9-156.5 -83.8 136.6 -34.5 32.4 21.5 182 182 A E S S+ 0 0 193 -2,-0.3 2,-3.0 1,-0.2 -1,-0.1 0.915 82.5 67.6 -82.0 -45.8 -37.2 31.4 19.1 183 183 A K > + 0 0 107 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.365 58.9 152.7 -74.3 64.8 -36.7 27.6 18.9 184 184 A Q T 3 + 0 0 114 -2,-3.0 -1,-0.2 1,-0.2 4,-0.1 0.145 45.4 94.8 -82.8 21.0 -37.8 27.2 22.5 185 185 A D T 3 S+ 0 0 164 2,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.773 86.7 47.1 -79.6 -28.6 -39.0 23.7 21.7 186 186 A E S < S- 0 0 123 -3,-1.1 3,-0.1 1,-0.1 2,-0.0 -0.731 102.3 -88.5-110.7 161.0 -35.6 22.4 23.0 187 187 A S - 0 0 116 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.345 52.2 -94.0 -68.4 149.0 -33.7 23.3 26.2 188 188 A c + 0 0 24 -4,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.420 50.7 177.4 -66.4 132.9 -31.3 26.3 26.1 189 189 A S > - 0 0 25 -2,-0.1 4,-3.4 1,-0.1 5,-0.3 -0.986 33.4-144.8-144.5 129.8 -27.7 25.2 25.3 190 190 A L H > S+ 0 0 1 -2,-0.3 4,-1.8 1,-0.2 20,-0.3 0.923 105.4 45.2 -55.4 -49.4 -24.5 27.2 24.8 191 191 A T H 4 S+ 0 0 16 1,-0.2 -1,-0.2 2,-0.2 5,-0.2 0.787 118.0 44.0 -68.1 -28.2 -23.1 24.9 22.1 192 192 A Q H 4 S+ 0 0 118 1,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.866 115.0 47.1 -83.5 -39.7 -26.5 24.8 20.3 193 193 A A H < S+ 0 0 26 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.769 124.8 32.7 -72.1 -26.5 -27.2 28.5 20.6 194 194 A L S < S- 0 0 28 -4,-1.8 16,-2.5 -5,-0.3 17,-0.3 -0.618 83.4-155.8-131.7 73.2 -23.6 29.3 19.4 195 195 A P - 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