==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-JAN-09 3FVM . COMPND 2 MOLECULE: MANNONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR H.PENG,Q.J.ZHANG,F.GAO,Y.LIU,F.G.GAO . 698 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 4.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 3 4 0 1 0 2 4 0 1 2 0 0 1 0 1 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 6 6 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 PARALLEL BRIDGES PER LADDER . 4 1 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 19 A S 0 0 37 0, 0.0 2,-0.7 0, 0.0 291,-0.2 0.000 360.0 360.0 360.0 32.8 24.5 23.2 -55.2 2 20 A H - 0 0 91 289,-0.2 292,-0.6 339,-0.1 2,-0.6 -0.876 360.0-165.5-106.2 112.6 21.2 21.7 -54.3 3 21 A M B -a 294 0A 9 -2,-0.7 2,-1.4 290,-0.2 292,-0.2 -0.837 13.6-144.9 -92.4 116.4 21.1 19.2 -51.4 4 22 A K - 0 0 48 290,-1.3 292,-0.2 -2,-0.6 25,-0.1 -0.634 15.6-135.1 -90.5 89.0 17.9 17.2 -51.1 5 23 A M - 0 0 2 -2,-1.4 24,-2.4 290,-0.2 23,-2.3 -0.166 35.8-176.9 -35.0 119.1 17.1 16.6 -47.5 6 24 A S E -b 29 0B 0 290,-3.4 2,-0.3 22,-0.2 24,-0.2 -0.718 19.2-152.6-125.8 178.2 16.1 12.9 -47.3 7 25 A F E -b 30 0B 0 22,-1.0 24,-2.3 -2,-0.2 2,-0.2 -0.993 23.9-112.4-154.6 135.5 14.9 10.3 -44.7 8 26 A R E -b 31 0B 34 -2,-0.3 2,-0.4 290,-0.3 24,-0.2 -0.558 32.4-176.2 -80.3 138.4 15.1 6.5 -44.4 9 27 A W - 0 0 5 22,-3.2 24,-0.5 -2,-0.2 3,-0.1 -0.997 21.8-147.8-134.0 138.1 11.9 4.5 -44.8 10 28 A Y - 0 0 37 -2,-0.4 3,-0.4 1,-0.3 22,-0.1 0.221 46.8-106.0 -94.2 17.4 11.6 0.8 -44.3 11 29 A G > - 0 0 5 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 -0.267 68.7 -29.4 80.2-177.5 8.8 0.0 -46.8 12 30 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.626 132.1 59.6 -49.1 -24.8 5.2 -0.9 -46.1 13 31 A K T 3 S+ 0 0 163 -3,-0.4 -1,-0.3 4,-0.0 -2,-0.1 0.320 78.0 114.0 -91.7 7.6 5.9 -2.5 -42.7 14 32 A D < - 0 0 22 -3,-2.4 -3,-0.0 2,-0.2 -5,-0.0 -0.586 63.1-144.8 -78.0 133.5 7.5 0.6 -41.1 15 33 A P S S+ 0 0 83 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.785 90.0 80.1 -70.8 -19.1 5.6 2.2 -38.2 16 34 A V S S- 0 0 3 298,-0.1 -6,-0.2 4,-0.0 2,-0.2 -0.775 78.5-157.0 -81.4 122.2 6.9 5.5 -39.7 17 35 A T > - 0 0 60 -2,-0.6 4,-3.0 1,-0.1 5,-0.1 -0.614 25.8-121.5-100.5 163.6 4.5 6.3 -42.6 18 36 A L H > S+ 0 0 27 2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.804 112.7 64.5 -74.9 -30.7 5.2 8.5 -45.5 19 37 A E H > S+ 0 0 52 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.952 112.6 38.6 -49.2 -51.7 2.2 10.7 -44.6 20 38 A E H >4 S+ 0 0 50 2,-0.2 3,-1.0 1,-0.2 4,-0.3 0.954 114.5 51.1 -63.2 -57.0 4.4 11.4 -41.6 21 39 A I H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.2 -2,-0.2 0.804 109.2 54.5 -52.1 -32.4 7.7 11.5 -43.4 22 40 A K H 3< S+ 0 0 53 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.815 97.3 65.0 -68.3 -35.3 6.1 14.0 -45.9 23 41 A A T << S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.429 73.0 104.8 -72.5 -5.1 5.1 16.4 -43.1 24 42 A I S X S- 0 0 2 -3,-0.7 3,-1.8 -4,-0.3 641,-0.0 -0.689 86.3-104.2 -80.8 128.6 8.6 17.3 -42.0 25 43 A P T 3 S+ 0 0 13 0, 0.0 302,-0.1 0, 0.0 3,-0.1 -0.226 99.7 4.0 -57.0 142.7 9.3 20.8 -43.3 26 44 A G T 3 S+ 0 0 8 1,-0.2 318,-0.5 593,-0.1 2,-0.2 0.305 88.8 146.6 68.8 -7.5 11.7 20.8 -46.3 27 45 A M < + 0 0 5 -3,-1.8 -1,-0.2 -5,-0.2 -21,-0.2 -0.455 6.8 152.0 -66.7 126.3 11.8 17.0 -46.5 28 46 A Q + 0 0 28 -23,-2.3 33,-1.2 -2,-0.2 -22,-0.2 0.714 46.1 59.7-116.1 -54.2 12.1 15.9 -50.1 29 47 A G E -bc 6 61B 0 -24,-2.4 -22,-1.0 31,-0.2 2,-0.3 -0.458 56.3-151.8 -93.4 151.7 13.8 12.5 -50.5 30 48 A I E -bc 7 62B 0 31,-1.9 33,-1.6 -24,-0.2 34,-0.9 -0.859 7.8-152.3-113.1 155.1 13.2 9.1 -49.2 31 49 A V E +bc 8 64B 0 -24,-2.3 -22,-3.2 -2,-0.3 2,-0.3 -0.985 33.9 147.9-131.3 116.9 15.9 6.5 -48.5 32 50 A T E - c 0 65B 3 32,-1.3 34,-1.1 -2,-0.5 2,-0.3 -0.872 31.1-151.0-151.6 174.0 14.9 2.9 -48.8 33 51 A A - 0 0 5 -24,-0.5 2,-0.3 -2,-0.3 35,-0.1 -0.913 31.3-101.6-146.9 164.6 15.6 -0.7 -49.7 34 52 A V - 0 0 14 -2,-0.3 14,-0.1 33,-0.3 -23,-0.0 -0.745 30.2-168.4 -89.6 138.8 13.9 -3.9 -50.9 35 53 A Y + 0 0 94 -2,-0.3 -1,-0.0 12,-0.1 -25,-0.0 -0.308 65.7 56.5-131.5 52.8 13.1 -6.3 -48.1 36 54 A D S S+ 0 0 112 1,-0.3 -1,-0.1 3,-0.1 3,-0.0 0.464 72.9 88.8-157.9 -19.9 12.0 -9.7 -49.6 37 55 A V S S- 0 0 23 1,-0.1 -1,-0.3 4,-0.1 -3,-0.1 -0.869 87.0-121.3 -84.4 124.8 14.7 -11.1 -51.9 38 56 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.650 50.3 -85.5 -53.4 -37.2 16.9 -13.0 -49.4 39 57 A V S S+ 0 0 55 3,-0.1 32,-0.1 2,-0.1 -2,-0.1 -0.458 110.6 35.3 175.1 -84.9 20.2 -11.3 -49.8 40 58 A G S S+ 0 0 7 -2,-0.1 48,-0.2 30,-0.1 47,-0.2 0.554 97.2 95.2 -73.5 -11.0 22.8 -12.2 -52.5 41 59 A Q S S- 0 0 115 1,-0.2 -4,-0.1 46,-0.1 -2,-0.1 -0.288 88.0 -71.7 -78.1 165.3 20.1 -13.1 -55.1 42 60 A A - 0 0 36 1,-0.1 -1,-0.2 -2,-0.1 46,-0.1 -0.168 36.4-127.0 -66.6 150.0 18.8 -10.7 -57.8 43 61 A W - 0 0 5 44,-0.5 2,-0.2 -6,-0.0 51,-0.2 -0.853 24.9-141.7 -99.2 104.4 16.6 -7.6 -57.2 44 62 A P >> - 0 0 56 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.489 11.5-134.5 -67.3 130.3 13.4 -7.7 -59.5 45 63 A L H >> S+ 0 0 49 1,-0.3 4,-2.9 -2,-0.2 3,-1.2 0.873 107.4 68.5 -47.2 -44.0 12.3 -4.3 -60.9 46 64 A E H 3> S+ 0 0 141 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.784 102.1 47.8 -40.5 -34.0 8.8 -5.5 -59.9 47 65 A N H <4 S+ 0 0 34 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.714 116.6 38.4 -85.8 -25.5 10.1 -5.1 -56.3 48 66 A I H XX S+ 0 0 5 -3,-1.2 4,-2.2 -4,-0.7 3,-1.9 0.875 111.8 54.0 -95.9 -44.0 11.7 -1.6 -56.6 49 67 A L H 3X S+ 0 0 63 -4,-2.9 4,-3.4 1,-0.3 5,-0.2 0.893 103.5 58.8 -54.5 -43.1 9.1 0.1 -58.8 50 68 A E H 3< S+ 0 0 114 -4,-0.6 4,-0.5 -5,-0.5 -1,-0.3 0.500 107.6 47.1 -72.4 -2.3 6.4 -0.8 -56.4 51 69 A L H <> S+ 0 0 21 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.763 111.4 48.7-100.0 -42.5 8.3 1.1 -53.7 52 70 A K H X S+ 0 0 51 -4,-2.2 4,-4.3 2,-0.2 5,-0.3 0.924 112.3 50.8 -55.7 -45.2 8.9 4.1 -55.9 53 71 A K H X S+ 0 0 158 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.917 109.7 48.8 -61.9 -45.2 5.1 4.0 -56.7 54 72 A M H 4 S+ 0 0 37 -4,-0.5 -1,-0.2 -5,-0.2 4,-0.2 0.826 120.5 39.3 -61.8 -32.1 4.3 3.8 -53.1 55 73 A V H ><>S+ 0 0 1 -4,-1.9 3,-2.7 2,-0.2 5,-1.0 0.964 109.9 54.4 -81.7 -58.2 6.6 6.8 -52.5 56 74 A E H ><5S+ 0 0 111 -4,-4.3 3,-0.8 1,-0.3 -3,-0.2 0.726 104.8 57.9 -52.7 -25.9 5.9 9.0 -55.6 57 75 A E T 3<5S+ 0 0 159 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.685 100.4 57.9 -77.5 -19.1 2.2 8.9 -54.7 58 76 A A T < 5S- 0 0 31 -3,-2.7 -1,-0.2 -4,-0.2 -2,-0.2 0.233 123.7 -98.6 -95.8 11.4 2.9 10.4 -51.3 59 77 A G T < 5S+ 0 0 49 -3,-0.8 2,-0.2 1,-0.3 -3,-0.2 0.315 93.1 98.3 93.1 -9.5 4.6 13.5 -52.7 60 78 A L < - 0 0 2 -5,-1.0 -1,-0.3 -8,-0.1 2,-0.3 -0.577 58.6-141.2-106.9 167.9 8.2 12.3 -52.2 61 79 A E E -c 29 0B 61 -33,-1.2 -31,-1.9 -2,-0.2 2,-0.9 -0.815 27.4-105.6-117.1 165.0 10.8 10.6 -54.5 62 80 A I E +c 30 0B 13 -2,-0.3 -31,-0.1 -33,-0.2 3,-0.1 -0.861 42.8 169.5 -87.5 109.7 13.3 7.9 -54.1 63 81 A T E + 0 0 13 -33,-1.6 2,-0.3 -2,-0.9 232,-0.2 0.650 60.8 2.4 -90.6 -22.5 16.6 9.9 -53.9 64 82 A V E -c 31 0B 1 -34,-0.9 -32,-1.3 37,-0.1 2,-0.6 -0.966 64.8-121.7-167.2 145.8 19.0 7.1 -52.8 65 83 A I E -cd 32 103B 6 37,-3.4 39,-3.0 -2,-0.3 2,-1.8 -0.884 17.4-148.4-105.6 116.7 19.1 3.4 -52.0 66 84 A E E - d 0 104B 13 -34,-1.1 39,-0.1 -2,-0.6 37,-0.1 -0.667 67.8 -21.6 -87.4 79.4 20.2 2.4 -48.5 67 85 A S - 0 0 35 -2,-1.8 -33,-0.3 37,-1.3 -1,-0.2 0.905 30.7-166.9 96.3 105.3 21.8 -0.8 -49.2 68 86 A I - 0 0 2 36,-0.6 2,-0.3 -3,-0.2 38,-0.2 -0.992 51.4-126.0 -89.8 111.0 21.9 -3.6 -51.6 69 87 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 36,-0.1 -0.443 9.1-132.1 -62.7 121.5 23.9 -5.9 -49.2 70 88 A V - 0 0 9 36,-0.4 2,-0.1 -2,-0.3 -30,-0.1 -0.578 33.9-113.6 -61.2 130.7 27.1 -7.4 -50.5 71 89 A H >> - 0 0 46 -2,-0.3 4,-1.7 -31,-0.1 3,-0.7 -0.412 16.8-119.8 -68.8 147.2 27.0 -11.2 -49.6 72 90 A E H 3> S+ 0 0 39 1,-0.3 4,-3.0 2,-0.2 3,-0.3 0.916 113.4 58.8 -51.3 -49.4 29.5 -12.6 -47.0 73 91 A D H 34>S+ 0 0 25 1,-0.3 5,-1.8 2,-0.2 -1,-0.3 0.814 104.7 49.9 -55.1 -34.3 31.0 -14.9 -49.7 74 92 A I H X45S+ 0 0 2 -3,-0.7 3,-1.1 3,-0.2 -1,-0.3 0.934 112.9 46.5 -66.9 -43.1 31.8 -11.9 -51.9 75 93 A K H 3<5S+ 0 0 5 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.868 111.6 51.0 -66.2 -42.6 33.5 -10.2 -48.9 76 94 A Q T 3<5S- 0 0 14 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.416 108.6-128.0 -71.7 -3.1 35.4 -13.4 -48.0 77 95 A G T < 5 + 0 0 21 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.728 47.0 172.7 60.1 23.1 36.5 -13.6 -51.6 78 96 A K > < - 0 0 84 -5,-1.8 3,-0.9 -6,-0.2 -1,-0.1 0.004 43.8-107.2 -59.8 172.0 35.2 -17.2 -51.6 79 97 A P T > S+ 0 0 117 0, 0.0 3,-0.8 0, 0.0 2,-0.3 0.953 113.9 58.8 -75.3 -47.0 35.1 -19.2 -55.0 80 98 A N T 3> S+ 0 0 70 1,-0.2 4,-0.8 2,-0.1 3,-0.3 0.130 75.8 108.8 -58.8 15.8 31.4 -19.1 -55.6 81 99 A R H X> + 0 0 45 -3,-0.9 4,-3.1 -2,-0.3 3,-0.6 0.896 61.2 65.8 -70.6 -38.9 31.4 -15.3 -55.5 82 100 A D H <> S+ 0 0 77 -3,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.811 97.7 54.4 -56.0 -40.5 30.8 -14.6 -59.3 83 101 A A H 3> S+ 0 0 68 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.901 115.3 41.7 -53.6 -44.5 27.3 -16.0 -59.2 84 102 A L H X S+ 0 0 78 -4,-1.7 4,-1.6 -5,-0.3 3,-0.7 0.997 103.9 43.5 -62.7 -64.9 26.3 -11.5 -60.9 87 105 A N H 3X S+ 0 0 49 -4,-1.6 4,-2.7 1,-0.3 -44,-0.5 0.862 112.8 55.4 -42.5 -45.7 22.9 -10.9 -59.2 88 106 A Y H 3X S+ 0 0 8 -4,-2.2 4,-1.9 -48,-0.2 -1,-0.3 0.881 101.4 57.5 -60.1 -41.8 24.5 -7.7 -57.7 89 107 A K H X S+ 0 0 40 -4,-1.6 4,-3.0 2,-0.2 3,-0.6 0.912 104.6 61.6 -69.0 -44.9 21.7 -6.7 -62.1 91 109 A S H 3X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.3 -1,-0.2 0.916 107.7 46.9 -42.1 -45.6 20.5 -5.1 -58.9 92 110 A I H 3X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.800 111.7 52.3 -67.5 -30.8 22.6 -2.1 -60.1 93 111 A R H <>S+ 0 0 0 -4,-1.4 3,-0.6 -5,-0.3 5,-0.6 0.927 110.2 43.7 -72.6 -46.6 17.9 0.6 -60.0 96 114 A G H ><5S+ 0 0 23 -4,-1.4 3,-1.4 1,-0.3 2,-1.4 0.865 105.6 68.4 -59.6 -33.9 19.3 2.8 -62.8 97 115 A A T 3<5S+ 0 0 57 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 -0.190 103.9 42.9 -77.4 40.4 16.3 1.3 -64.7 98 116 A A T < 5S- 0 0 13 -2,-1.4 2,-1.8 -3,-0.6 -1,-0.3 0.078 116.2-101.3 175.5 28.4 14.0 3.3 -62.4 99 117 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.1 1,-0.1 -2,-0.1 -0.034 76.3 132.0 77.2 -35.1 15.6 6.8 -62.1 100 118 A I < - 0 0 2 -2,-1.8 -1,-0.1 -5,-0.6 -37,-0.1 -0.433 38.1-165.8 -59.4 114.6 17.2 6.4 -58.7 101 119 A P + 0 0 57 0, 0.0 83,-3.3 0, 0.0 2,-0.4 0.377 57.6 56.6 -90.1 -5.0 20.8 7.6 -59.0 102 120 A V E - e 0 184B 10 81,-0.3 -37,-3.4 -7,-0.1 2,-0.5 -0.962 50.5-170.5-141.2 124.7 22.6 6.4 -55.8 103 121 A V E -de 65 185B 0 81,-2.7 83,-2.4 -2,-0.4 2,-0.4 -0.956 12.5-158.2-112.4 130.8 23.2 3.0 -54.2 104 122 A C E +de 66 186B 2 -39,-3.0 -37,-1.3 -2,-0.5 -36,-0.6 -0.875 24.5 148.9-109.7 134.2 24.7 2.8 -50.8 105 123 A Y E - e 0 187B 1 81,-1.8 83,-3.0 -2,-0.4 2,-0.3 -0.871 27.1-135.9-148.8 177.1 26.5 -0.4 -49.6 106 124 A N - 0 0 18 -2,-0.3 -36,-0.4 -38,-0.2 84,-0.0 -0.877 13.0-146.9-136.8 174.7 29.3 -1.6 -47.3 107 125 A F + 0 0 0 81,-0.4 95,-0.3 -2,-0.3 96,-0.2 -0.389 48.5 138.6-134.1 56.3 32.2 -3.9 -47.0 108 126 A M - 0 0 1 93,-0.1 3,-0.2 81,-0.1 93,-0.1 -0.872 51.9-121.7-115.4 106.2 32.2 -4.9 -43.3 109 127 A P S S- 0 0 0 0, 0.0 2,-3.2 0, 0.0 90,-0.1 -0.026 78.6 -20.4 -39.7 136.7 32.8 -8.4 -42.3 110 128 A V S S+ 0 0 12 2,-0.1 2,-0.3 40,-0.1 41,-0.1 -0.058 124.3 50.9 66.6 -42.9 30.1 -10.2 -40.2 111 129 A F - 0 0 53 -2,-3.2 80,-0.1 -3,-0.2 3,-0.1 -0.939 58.4-149.5-131.6 152.2 28.2 -7.2 -38.9 112 130 A D S S- 0 0 97 1,-0.4 2,-0.3 -2,-0.3 79,-0.2 0.691 89.2 -23.6 -89.1 -21.7 26.6 -4.1 -40.3 113 131 A W - 0 0 89 77,-0.1 -1,-0.4 2,-0.1 2,-0.4 -0.922 63.1-138.1-175.1 161.8 27.3 -2.2 -37.0 114 132 A T + 0 0 14 77,-0.6 2,-0.3 -2,-0.3 -3,-0.0 -0.987 18.8 175.7-136.7 126.7 27.8 -3.2 -33.4 115 133 A R - 0 0 22 -2,-0.4 16,-0.3 1,-0.1 3,-0.1 -0.878 24.3-152.3-120.1 164.5 26.5 -1.6 -30.3 116 134 A S S S+ 0 0 36 14,-2.3 2,-0.2 1,-0.3 15,-0.2 0.451 85.2 17.4-104.4 -3.9 26.8 -2.6 -26.6 117 135 A D E -I 130 0C 54 13,-1.3 13,-2.5 3,-0.0 3,-0.5 -0.823 51.6-163.4-173.9 119.0 23.5 -1.0 -25.4 118 136 A L E S+ 0 0 75 1,-0.2 11,-0.2 -2,-0.2 9,-0.1 0.082 92.3 43.9-105.9 26.6 20.4 0.2 -27.3 119 137 A H E S+ 0 0 81 9,-0.2 -1,-0.2 11,-0.1 10,-0.2 -0.209 70.8 160.4-158.0 49.8 19.1 2.3 -24.4 120 138 A H E -I 128 0C 26 8,-2.2 8,-3.3 -3,-0.5 2,-0.2 -0.650 40.3-119.0 -80.8 134.7 22.1 4.1 -23.0 121 139 A P E -I 127 0C 66 0, 0.0 576,-0.4 0, 0.0 6,-0.2 -0.497 23.4-156.8 -77.3 144.5 20.9 7.2 -20.9 122 140 A L > - 0 0 11 4,-2.8 3,-2.4 -2,-0.2 574,-0.1 -0.792 34.8-100.7-110.2 161.6 21.9 10.8 -21.7 123 141 A P T 3 S+ 0 0 51 0, 0.0 573,-0.1 0, 0.0 572,-0.1 0.741 120.8 60.1 -51.4 -28.6 22.0 13.9 -19.4 124 142 A D T 3 S- 0 0 34 251,-0.1 3,-0.1 2,-0.1 252,-0.0 0.244 120.3-108.5 -88.1 17.9 18.7 15.1 -20.7 125 143 A G S < S+ 0 0 67 -3,-2.4 250,-0.1 1,-0.2 2,-0.1 0.295 83.6 116.9 77.5 -8.2 17.0 11.8 -19.5 126 144 A S - 0 0 9 248,-0.1 -4,-2.8 -5,-0.1 2,-0.3 -0.270 60.3-124.2 -77.6 171.8 16.5 10.4 -23.0 127 145 A T E +IJ 121 303C 36 176,-1.0 176,-3.2 -6,-0.2 2,-0.3 -0.887 29.2 170.6-121.0 154.7 18.2 7.2 -24.2 128 146 A S E -I 120 0C 5 -8,-3.3 -8,-2.2 -2,-0.3 -9,-0.2 -0.971 39.3 -78.5-153.4 167.1 20.5 6.5 -27.2 129 147 A L E - 0 0 6 -2,-0.3 139,-2.5 -11,-0.2 2,-0.3 -0.461 47.0-180.0 -74.5 136.2 22.7 3.8 -28.7 130 148 A A E -IK 117 267C 0 -13,-2.5 -14,-2.3 137,-0.2 -13,-1.3 -0.932 24.9-151.8-132.5 157.3 26.2 3.3 -27.3 131 149 A F E - K 0 266C 6 135,-2.5 135,-2.3 -2,-0.3 2,-0.7 -0.967 17.3-169.4-124.0 108.4 29.2 1.1 -27.9 132 150 A L E >> - K 0 265C 20 -2,-0.5 3,-2.1 133,-0.2 4,-1.0 -0.884 10.6-158.7-106.5 109.4 31.2 0.7 -24.7 133 151 A K H >> S+ 0 0 86 131,-1.5 3,-1.9 -2,-0.7 4,-0.6 0.916 92.7 51.8 -46.7 -58.1 34.6 -1.0 -25.3 134 152 A S H 34 S+ 0 0 98 130,-0.5 4,-0.3 1,-0.3 -1,-0.3 0.640 107.9 54.9 -59.9 -11.6 35.0 -2.1 -21.7 135 153 A D H <4 S+ 0 0 105 -3,-2.1 -1,-0.3 1,-0.2 4,-0.3 0.689 107.3 46.9 -99.2 -12.0 31.6 -3.7 -21.9 136 154 A L H << S+ 0 0 28 -3,-1.9 -2,-0.2 -4,-1.0 -1,-0.2 0.322 87.0 91.6-102.2 5.4 32.3 -5.8 -24.9 137 155 A A S < S+ 0 0 82 -4,-0.6 -1,-0.1 -5,-0.2 -2,-0.1 0.949 88.2 46.4 -62.6 -51.2 35.6 -7.0 -23.5 138 156 A G S S+ 0 0 79 -4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.865 94.7 103.1 -52.1 -42.0 33.9 -10.1 -21.9 139 157 A V - 0 0 72 -4,-0.3 58,-0.1 1,-0.1 -3,-0.0 -0.161 48.9-166.5 -70.4 136.0 31.8 -11.0 -25.0 140 158 A D 0 0 129 57,-0.0 -1,-0.1 -2,-0.0 -3,-0.0 -0.973 360.0 360.0-106.4 110.2 32.3 -13.8 -27.5 141 159 A P 0 0 63 0, 0.0 10,-0.1 0, 0.0 0, 0.0 -0.099 360.0 360.0 -50.9 360.0 30.0 -13.0 -30.4 142 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 143 174 A S 0 0 100 0, 0.0 4,-0.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 170.3 22.5 -19.1 -38.9 144 175 A K > + 0 0 93 2,-0.1 4,-0.9 3,-0.1 0, 0.0 0.800 360.0 37.8-104.1 -41.0 23.9 -19.3 -35.4 145 176 A E H > S+ 0 0 160 2,-0.2 4,-0.7 1,-0.1 -1,-0.0 0.648 117.6 55.0 -81.8 -17.3 26.5 -22.2 -35.7 146 177 A E H >> S+ 0 0 115 2,-0.2 4,-0.8 1,-0.1 3,-0.6 0.908 101.2 54.1 -81.4 -45.9 27.4 -21.0 -39.2 147 178 A M H >> S+ 0 0 61 -4,-0.4 4,-2.5 1,-0.2 3,-1.4 0.908 98.8 68.7 -50.4 -46.7 28.3 -17.4 -38.2 148 179 A K H 3X S+ 0 0 120 -4,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.874 107.0 35.4 -35.2 -55.7 30.6 -19.0 -35.6 149 180 A A H > - 0 0 64 -2,-0.5 4,-2.4 1,-0.1 3,-0.9 -0.502 43.2 -98.2 -90.4 167.8 43.9 -10.1 -43.2 160 191 A E H 3> S+ 0 0 113 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.928 126.9 52.2 -48.0 -48.0 43.1 -6.5 -43.9 161 192 A E H 3> S+ 0 0 119 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.746 107.4 52.1 -65.6 -26.3 45.0 -6.7 -47.1 162 193 A D H <> S+ 0 0 64 -3,-0.9 4,-2.8 2,-0.2 3,-0.5 0.943 110.2 47.4 -67.2 -53.7 43.0 -9.7 -48.2 163 194 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.835 109.0 55.3 -58.7 -36.3 39.8 -7.9 -47.5 164 195 A W H X S+ 0 0 16 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.3 0.892 112.3 43.0 -61.1 -36.7 41.2 -5.0 -49.4 165 196 A A H X S+ 0 0 47 -4,-1.1 4,-2.1 -3,-0.5 -2,-0.2 0.818 109.9 55.1 -80.8 -33.4 41.8 -7.3 -52.4 166 197 A N H X S+ 0 0 23 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.835 111.5 46.0 -67.6 -31.2 38.4 -9.0 -52.0 167 198 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.806 106.9 59.1 -73.8 -35.5 36.9 -5.5 -52.2 168 199 A E H X S+ 0 0 85 -4,-1.4 4,-2.1 2,-0.2 5,-0.3 0.965 106.7 46.6 -59.7 -52.9 39.1 -4.7 -55.2 169 200 A Y H X S+ 0 0 85 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.965 111.6 50.5 -48.0 -65.1 37.7 -7.5 -57.2 170 201 A F H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.798 111.1 51.2 -44.9 -39.1 34.1 -6.7 -56.3 171 202 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.987 110.4 41.5 -73.0 -61.0 34.6 -3.0 -57.3 172 203 A K H < S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.673 115.0 59.2 -65.3 -10.1 36.0 -3.3 -60.8 173 204 A A H < S+ 0 0 30 -4,-1.5 4,-0.5 -5,-0.3 -2,-0.2 0.965 119.2 23.2 -72.5 -55.9 33.4 -6.1 -61.2 174 205 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.572 104.3 81.7 -90.1 -14.7 30.4 -3.9 -60.5 175 206 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 5,-0.2 0.914 90.1 49.3 -69.8 -42.7 31.7 -0.4 -61.4 176 207 A P H >> S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.947 108.9 56.4 -54.4 -45.9 31.3 -0.5 -65.2 177 208 A T H 3> S+ 0 0 6 -4,-0.5 4,-0.9 1,-0.3 -2,-0.2 0.870 106.3 50.4 -50.5 -42.1 27.7 -1.7 -64.6 178 209 A A H 3<>S+ 0 0 0 -4,-1.5 5,-0.6 1,-0.2 4,-0.3 0.734 109.1 48.5 -74.6 -28.3 27.0 1.4 -62.4 179 210 A E H <<5S+ 0 0 77 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.755 110.7 54.6 -76.0 -26.0 28.3 3.8 -65.0 180 211 A E H <5S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.694 115.4 36.8 -80.0 -20.9 26.1 1.9 -67.6 181 212 A A T <5S- 0 0 23 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.374 108.6-119.9-109.5 0.6 23.0 2.4 -65.5 182 213 A G T 5 + 0 0 44 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.446 67.0 138.2 70.6 4.8 23.8 5.9 -64.2 183 214 A V < - 0 0 0 -5,-0.6 2,-0.5 -91,-0.2 -81,-0.3 -0.599 45.6-141.5 -79.8 136.9 23.7 4.8 -60.5 184 215 A K E -e 102 0B 59 -83,-3.3 -81,-2.7 -2,-0.3 2,-0.4 -0.888 10.3-139.8-105.3 130.6 26.4 6.1 -58.1 185 216 A M E -ef 103 221B 0 35,-2.8 37,-2.4 -2,-0.5 2,-0.4 -0.687 17.4-173.3 -88.9 134.7 27.9 3.8 -55.5 186 217 A A E -ef 104 222B 0 -83,-2.4 -81,-1.8 -2,-0.4 2,-0.4 -0.975 13.5-145.3-131.1 119.2 28.5 5.2 -52.1 187 218 A I E -ef 105 223B 0 35,-2.5 37,-3.3 -2,-0.4 -81,-0.2 -0.643 11.7-131.8 -92.4 135.6 30.3 3.1 -49.5 188 219 A H - 0 0 26 -83,-3.0 -81,-0.4 -2,-0.4 37,-0.1 -0.582 23.8-115.7 -80.4 143.2 29.5 3.3 -45.9 189 220 A P - 0 0 0 0, 0.0 15,-0.2 0, 0.0 2,-0.2 -0.387 40.9 -94.7 -65.3 155.9 32.3 3.6 -43.4 190 221 A D - 0 0 0 13,-3.5 -77,-0.1 -83,-0.1 -78,-0.1 -0.485 43.5-117.5 -68.4 145.8 32.7 0.7 -41.0 191 222 A D S S+ 0 0 6 1,-0.3 -77,-0.6 -79,-0.2 39,-0.1 -0.926 107.6 23.1-138.2 112.7 30.9 1.3 -37.7 192 223 A P S S- 0 0 0 0, 0.0 2,-1.0 0, 0.0 -1,-0.3 0.582 98.5-136.5 -62.0 155.2 32.8 1.3 -35.4 193 224 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.112 78.6 61.1 -82.8 41.4 35.6 2.4 -37.7 194 225 A Y S S- 0 0 42 -2,-1.0 8,-0.1 6,-0.1 9,-0.0 -0.963 96.1 -77.1-155.8 159.7 38.2 -0.0 -36.1 195 226 A G - 0 0 44 -2,-0.3 2,-0.3 6,-0.2 3,-0.1 -0.205 44.1-177.7 -61.6 145.8 38.5 -3.8 -35.7 196 227 A I B > +M 199 0D 18 3,-0.8 3,-3.2 1,-0.1 -1,-0.0 -0.953 65.2 13.8-138.0 157.5 36.5 -5.6 -33.0 197 228 A F T 3 S- 0 0 41 1,-0.3 -1,-0.1 -2,-0.3 -42,-0.1 0.866 127.9 -68.6 44.1 46.4 36.5 -9.3 -31.9 198 229 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.654 102.6 137.8 41.4 25.0 39.6 -9.7 -34.0 199 230 A L B < -M 196 0D 3 -3,-3.2 -3,-0.8 -90,-0.1 -1,-0.2 -0.808 55.7-115.9 -89.9 136.5 37.6 -9.1 -37.1 200 231 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.324 29.4-176.3 -68.7 150.7 39.2 -6.9 -39.8 201 232 A R + 0 0 4 -93,-0.1 -6,-0.2 -8,-0.1 3,-0.1 -0.952 9.6 171.0-136.5 146.3 37.7 -3.5 -40.8 202 233 A I + 0 0 3 -2,-0.3 2,-1.6 -95,-0.3 3,-0.4 0.552 63.0 76.9-129.0 -23.5 39.3 -1.4 -43.5 203 234 A I + 0 0 2 -96,-0.2 -13,-3.5 1,-0.2 -1,-0.1 -0.586 66.4 117.4 -92.8 80.9 36.9 1.4 -44.3 204 235 A T - 0 0 30 -2,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.461 66.3 -18.7-132.3 -16.3 38.0 3.2 -41.2 205 236 A G S >> S- 0 0 2 -3,-0.4 4,-2.3 1,-0.1 3,-0.7 -0.994 85.5 -47.4-179.0-172.1 39.6 6.6 -42.0 206 237 A Q H 3> S+ 0 0 44 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.782 126.9 49.2 -43.9 -50.7 41.3 9.2 -44.2 207 238 A E H 3> S+ 0 0 150 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.898 110.5 50.0 -47.5 -56.1 43.8 6.6 -45.6 208 239 A A H <> S+ 0 0 5 -3,-0.7 4,-2.8 1,-0.2 5,-0.2 0.908 106.8 56.9 -56.7 -45.9 41.1 4.1 -46.4 209 240 A V H X S+ 0 0 2 -4,-2.3 4,-3.6 2,-0.2 5,-0.3 0.961 110.0 42.5 -51.1 -60.7 39.1 6.8 -48.2 210 241 A E H X S+ 0 0 71 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.932 114.9 49.0 -51.6 -55.3 42.0 7.5 -50.6 211 242 A R H X S+ 0 0 90 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.873 116.0 44.9 -54.2 -40.6 42.9 3.9 -51.2 212 243 A F H >< S+ 0 0 0 -4,-2.8 3,-1.3 -5,-0.2 4,-0.4 0.974 111.2 50.7 -70.5 -56.0 39.2 3.1 -51.9 213 244 A L H >< S+ 0 0 0 -4,-3.6 3,-1.2 -5,-0.2 5,-0.4 0.892 109.7 56.3 -40.9 -41.7 38.6 6.1 -54.0 214 245 A N H >< S+ 0 0 87 -4,-2.9 3,-0.7 -5,-0.3 -1,-0.2 0.691 81.0 80.5 -78.7 -20.4 41.7 5.0 -55.9 215 246 A L T << S+ 0 0 28 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.1 0.688 121.3 6.0 -51.2 -19.3 40.6 1.4 -56.8 216 247 A Y T < S- 0 0 61 -3,-1.2 2,-1.9 -4,-0.4 -1,-0.3 -0.519 77.8-148.2-172.5 79.0 38.6 3.1 -59.6 217 248 A D < + 0 0 109 -3,-0.7 2,-0.3 -2,-0.1 -3,-0.1 -0.452 57.7 119.3 -64.6 87.4 39.3 6.8 -59.9 218 249 A S S > S- 0 0 18 -2,-1.9 3,-2.2 -5,-0.4 -2,-0.1 -0.973 73.8-120.0-158.9 141.8 35.7 7.6 -61.1 219 250 A E T 3 S+ 0 0 100 -2,-0.3 -2,-0.1 1,-0.3 -6,-0.0 0.624 110.7 61.4 -66.2 -12.2 32.8 9.8 -59.9 220 251 A H T 3 S+ 0 0 39 1,-0.2 -35,-2.8 -36,-0.1 2,-0.8 0.511 89.9 76.3 -87.0 -8.6 30.5 6.7 -59.6 221 252 A N E < S+f 185 0B 0 -3,-2.2 -3,-0.3 -5,-0.2 2,-0.2 -0.834 75.7 143.8-104.7 89.6 32.8 5.1 -57.1 222 253 A G E -f 186 0B 0 -37,-2.4 -35,-2.5 -2,-0.8 2,-0.2 -0.655 44.8-112.8-129.0 176.1 32.1 7.1 -53.9 223 254 A I E -fg 187 251B 2 27,-2.0 29,-1.8 -37,-0.4 2,-0.7 -0.670 19.2-129.9-101.9 157.2 31.6 7.1 -50.2 224 255 A T E - 0 0 0 -37,-3.3 2,-1.7 -2,-0.2 30,-0.2 -0.982 32.2-143.1 -96.4 112.8 28.7 7.7 -47.9 225 256 A M E + g 0 254B 0 28,-1.6 30,-1.6 -2,-0.7 2,-1.2 -0.624 25.5 177.7 -86.1 84.9 30.2 10.3 -45.7 226 257 A C E > - g 0 255B 0 -2,-1.7 4,-1.7 28,-0.2 3,-0.4 -0.774 10.8-169.1 -87.3 90.7 28.8 9.3 -42.3 227 258 A V H > S+ 0 0 0 28,-1.3 4,-2.8 -2,-1.2 5,-0.2 0.898 84.4 55.2 -46.8 -43.4 30.5 11.9 -40.1 228 259 A G H > S+ 0 0 0 27,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.879 103.7 52.0 -58.9 -45.3 29.2 9.9 -37.0 229 260 A S H >4 S+ 0 0 0 -3,-0.4 3,-0.7 1,-0.2 4,-0.2 0.966 117.5 38.1 -59.4 -50.8 30.7 6.6 -38.0 230 261 A Y H >< S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 6,-0.3 0.806 111.2 58.0 -70.7 -33.3 34.1 8.1 -38.5 231 262 A A H 3< S+ 0 0 14 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.646 84.5 82.6 -72.5 -13.9 33.9 10.4 -35.6 232 263 A S T << S+ 0 0 1 -4,-1.0 30,-0.4 -3,-0.7 -1,-0.2 0.712 88.2 61.9 -61.4 -21.6 33.3 7.4 -33.4 233 264 A D S X S- 0 0 29 -3,-1.3 3,-2.1 -4,-0.2 -1,-0.1 -0.942 77.7-153.4-103.0 115.4 37.1 7.1 -33.4 234 265 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.808 90.6 72.4 -53.4 -29.4 38.8 10.2 -31.9 235 266 A K T 3 S+ 0 0 129 -3,-0.1 2,-0.3 2,-0.1 -4,-0.1 0.705 87.6 87.1 -61.0 -14.4 41.9 9.6 -34.1 236 267 A N < - 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