==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JAN-04 1V8E . COMPND 2 MOLECULE: PUTATIVE GLYCEROPHOSPHORYL DIESTER PHOSPHODIESTER . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.ISHIJIMA,K.IDA,K.YUTANI,M.MIYANO,RIKEN STRUCTURAL . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.1 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 1 0 1 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 8 A P 0 0 65 0, 0.0 202,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 157.4 44.0 49.2 15.1 2 9 A L E -a 203 0A 44 200,-2.8 202,-2.6 1,-0.1 2,-0.7 -0.452 360.0-151.3 -68.1 131.6 43.6 45.6 14.0 3 10 A R E -a 204 0A 60 -2,-0.2 27,-1.8 200,-0.2 28,-1.1 -0.920 22.8-172.9-105.5 109.0 46.4 43.4 15.3 4 11 A L E -ab 205 31A 0 200,-3.0 202,-2.5 -2,-0.7 2,-0.6 -0.898 23.2-130.2-115.2 132.7 46.8 40.6 12.8 5 12 A G E > -ab 206 32A 0 26,-2.5 28,-2.7 -2,-0.4 3,-1.8 -0.632 23.6-131.2 -80.6 117.1 48.8 37.4 12.9 6 13 A H E 3 S- b 0 33A 18 200,-2.7 28,-0.1 -2,-0.6 10,-0.1 -0.536 91.3 -17.9 -68.6 111.2 50.9 37.0 9.7 7 14 A R T 3 S- 0 0 35 26,-1.5 9,-2.1 -2,-0.6 2,-0.5 0.795 125.6 -71.4 59.5 28.0 50.3 33.4 8.6 8 15 A G S < S- 0 0 0 -3,-1.8 13,-0.2 25,-0.5 198,-0.1 -0.831 99.1 -26.3 94.9-124.8 49.0 32.9 12.2 9 16 A A >> - 0 0 0 -2,-0.5 3,-2.3 -4,-0.2 4,-1.7 -0.724 68.2-175.2-128.0 75.5 51.8 32.9 14.9 10 17 A P T 34 S+ 0 0 24 0, 0.0 5,-0.4 0, 0.0 198,-0.1 0.544 79.3 51.8 -49.7 -17.7 54.7 31.7 12.7 11 18 A L T 34 S+ 0 0 109 196,-0.6 3,-0.1 3,-0.1 197,-0.1 0.554 111.5 45.9 -99.6 -9.9 57.2 31.6 15.6 12 19 A K T <4 S- 0 0 124 -3,-2.3 2,-0.3 1,-0.4 -1,-0.1 0.718 129.6 -0.1-100.1 -29.4 54.9 29.4 17.8 13 20 A A S < S- 0 0 12 -4,-1.7 -1,-0.4 4,-0.0 3,-0.1 -0.962 100.7 -63.1-153.2 161.9 53.9 26.9 15.2 14 21 A K > - 0 0 122 -2,-0.3 3,-1.0 1,-0.1 6,-0.4 -0.228 67.1 -98.8 -54.0 131.8 54.6 26.3 11.5 15 22 A E T 3 S+ 0 0 75 -5,-0.4 -7,-0.2 1,-0.2 -8,-0.1 -0.123 101.5 13.7 -53.5 145.4 53.4 29.2 9.4 16 23 A N T 3 S+ 0 0 4 -9,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.775 96.2 124.0 57.9 31.9 50.1 28.9 7.6 17 24 A T S <> S- 0 0 11 -3,-1.0 4,-2.2 -10,-0.5 3,-0.3 -0.865 74.7-113.1-117.0 155.8 49.0 25.8 9.5 18 25 A L H > S+ 0 0 57 53,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.875 118.2 54.4 -54.0 -39.6 45.8 25.4 11.5 19 26 A E H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 107.2 50.8 -61.7 -42.3 47.8 25.2 14.8 20 27 A S H > S+ 0 0 0 -6,-0.4 4,-2.1 -3,-0.3 -2,-0.2 0.933 111.8 46.0 -61.6 -47.1 49.5 28.5 13.9 21 28 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 -13,-0.2 -1,-0.2 0.916 112.9 50.4 -63.5 -42.1 46.2 30.3 13.2 22 29 A R H X S+ 0 0 102 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.919 110.6 48.9 -62.5 -43.7 44.6 28.9 16.4 23 30 A L H X S+ 0 0 38 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.876 108.6 54.1 -64.3 -37.6 47.6 30.0 18.6 24 31 A A H <>S+ 0 0 0 -4,-2.1 5,-1.6 -5,-0.2 4,-0.3 0.910 113.0 42.8 -63.0 -41.0 47.5 33.5 17.1 25 32 A L H ><5S+ 0 0 8 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.861 110.8 54.2 -74.0 -35.7 43.8 33.8 18.0 26 33 A E H 3<5S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 100.3 63.1 -67.4 -25.9 44.3 32.3 21.4 27 34 A A T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.641 124.4-103.9 -72.2 -14.5 47.0 34.9 22.0 28 35 A G T < 5 + 0 0 36 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.573 66.3 153.4 103.6 10.8 44.3 37.6 21.7 29 36 A L < - 0 0 11 -5,-1.6 -1,-0.2 1,-0.1 -25,-0.2 -0.327 50.9-124.4 -70.4 157.5 45.0 38.9 18.2 30 37 A D S S- 0 0 45 -27,-1.8 59,-1.8 1,-0.1 2,-0.3 0.690 76.8 -43.0 -76.4 -18.7 42.1 40.5 16.3 31 38 A G E -bc 4 89A 0 -28,-1.1 -26,-2.5 57,-0.2 2,-0.3 -0.974 58.5-100.8 177.2-168.9 42.6 38.1 13.3 32 39 A V E -bc 5 90A 0 57,-1.7 59,-2.8 -2,-0.3 2,-0.4 -0.961 13.2-136.3-141.3 155.9 45.0 36.5 11.0 33 40 A E E -bc 6 91A 4 -28,-2.7 -26,-1.5 -2,-0.3 -25,-0.5 -0.901 26.6-173.0-108.6 141.3 46.3 36.9 7.5 34 41 A L E - c 0 92A 0 57,-2.4 59,-3.1 -2,-0.4 2,-0.4 -1.000 18.1-134.4-140.5 138.9 46.6 33.7 5.4 35 42 A D E - c 0 93A 1 -2,-0.4 12,-1.0 57,-0.2 2,-0.4 -0.749 24.7-172.7 -92.5 134.8 48.2 33.0 2.0 36 43 A V E -Dc 46 94A 0 57,-2.4 59,-2.5 -2,-0.4 10,-0.2 -0.976 13.6-176.5-132.1 145.1 46.3 31.0 -0.6 37 44 A W E -D 45 0A 24 8,-2.0 8,-2.4 -2,-0.4 2,-0.3 -0.984 33.3-114.1-131.3 141.5 47.1 29.5 -4.0 38 45 A P E -D 44 0A 15 0, 0.0 6,-0.2 0, 0.0 2,-0.1 -0.595 28.2-140.2 -80.0 138.8 44.5 27.6 -6.1 39 46 A T > - 0 0 7 4,-2.7 3,-2.0 -2,-0.3 19,-0.2 -0.364 33.3 -94.1 -87.7 173.6 45.2 23.9 -6.7 40 47 A R T 3 S+ 0 0 156 20,-2.4 21,-0.2 17,-0.8 18,-0.1 0.860 128.0 47.8 -56.6 -35.8 44.6 22.1 -10.0 41 48 A D T 3 S- 0 0 83 19,-0.4 -1,-0.3 2,-0.1 20,-0.1 0.132 124.6 -99.3 -94.5 20.9 41.2 21.1 -8.8 42 49 A G S < S+ 0 0 21 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.655 75.6 137.9 76.5 17.1 40.2 24.5 -7.6 43 50 A V - 0 0 9 32,-0.0 -4,-2.7 31,-0.0 2,-1.0 -0.713 55.3-125.4 -92.7 145.4 40.9 24.2 -3.8 44 51 A F E -D 38 0A 4 -2,-0.3 31,-2.7 -6,-0.2 2,-0.3 -0.810 26.3-157.1 -96.4 103.0 42.6 27.1 -2.1 45 52 A A E -DE 37 74A 0 -8,-2.4 -8,-2.0 -2,-1.0 2,-1.0 -0.610 13.6-131.1 -78.5 136.2 45.6 25.7 -0.4 46 53 A V E +D 36 0A 1 27,-2.5 2,-0.3 -2,-0.3 -10,-0.2 -0.775 61.5 105.0 -94.7 99.2 46.9 27.7 2.5 47 54 A R - 0 0 35 -2,-1.0 -31,-0.1 -12,-1.0 -2,-0.0 -0.951 61.3-133.9-168.0 154.2 50.7 28.2 2.0 48 55 A H S S+ 0 0 71 -2,-0.3 -1,-0.1 -33,-0.1 -12,-0.1 0.881 83.3 71.2 -84.7 -42.0 53.1 30.9 0.9 49 56 A D - 0 0 83 1,-0.1 -12,-0.1 2,-0.1 8,-0.1 -0.604 61.0-158.3 -80.9 133.3 55.4 29.1 -1.6 50 57 A P S S+ 0 0 31 0, 0.0 7,-2.5 0, 0.0 2,-0.5 0.663 72.5 82.7 -83.8 -15.9 53.9 28.2 -5.0 51 58 A D E +K 56 0B 106 5,-0.2 -2,-0.1 6,-0.1 0, 0.0 -0.774 58.3 175.4 -95.1 131.2 56.5 25.6 -5.6 52 59 A T E > -K 55 0B 18 3,-1.2 3,-2.0 -2,-0.5 13,-0.0 -0.793 48.8 -98.7-126.6 168.6 56.0 22.1 -4.1 53 60 A P T 3 S+ 0 0 93 0, 0.0 -2,-0.0 0, 0.0 12,-0.0 0.742 127.5 47.1 -59.6 -19.8 57.8 18.8 -4.3 54 61 A L T 3 S- 0 0 87 1,-0.4 11,-0.0 11,-0.0 -3,-0.0 0.387 126.3 -90.8-101.4 1.7 55.2 17.8 -6.9 55 62 A G E < S-K 52 0B 22 -3,-2.0 -3,-1.2 5,-0.0 -1,-0.4 -0.659 74.8 -14.9 117.3-175.7 55.4 21.0 -8.9 56 63 A P E > -K 51 0B 28 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.321 67.6-115.6 -62.6 145.4 53.6 24.3 -8.8 57 64 A V G > S+ 0 0 0 -7,-2.5 3,-1.7 1,-0.3 -17,-0.8 0.839 112.1 58.7 -48.3 -43.4 50.4 24.4 -6.8 58 65 A F G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -19,-0.2 -16,-0.1 0.647 104.6 52.5 -66.5 -12.6 48.1 25.0 -9.7 59 66 A Q G < S+ 0 0 112 -3,-2.1 2,-0.4 2,-0.1 -1,-0.3 0.373 101.9 71.3-101.9 3.9 49.3 21.8 -11.4 60 67 A V S < S- 0 0 10 -3,-1.7 -20,-2.4 -4,-0.3 -19,-0.4 -0.955 80.6-119.9-125.4 139.7 48.6 19.6 -8.4 61 68 A D >> - 0 0 36 -2,-0.4 4,-2.0 -22,-0.2 3,-0.6 -0.459 27.0-121.0 -72.2 147.1 45.4 18.3 -6.9 62 69 A Y H 3> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 110.9 56.9 -55.5 -45.1 44.8 19.3 -3.3 63 70 A A H 3> S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.848 108.5 47.7 -56.7 -36.1 44.5 15.7 -2.1 64 71 A D H <> S+ 0 0 84 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.901 111.2 49.2 -72.2 -42.0 48.0 14.9 -3.6 65 72 A L H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.883 111.8 51.7 -62.9 -37.3 49.5 18.1 -2.0 66 73 A K H < S+ 0 0 61 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.843 106.3 51.6 -68.5 -36.8 47.9 17.0 1.3 67 74 A A H < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.921 117.5 40.6 -66.0 -40.3 49.3 13.4 1.2 68 75 A Q H < S+ 0 0 99 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.808 130.5 29.6 -74.3 -31.6 52.7 15.0 0.6 69 76 A E >< - 0 0 40 -4,-2.2 3,-2.8 -5,-0.2 -1,-0.3 -0.663 68.7-178.0-132.5 76.5 52.0 17.7 3.2 70 77 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.743 83.3 53.1 -48.4 -29.7 49.7 16.4 5.9 71 78 A D T 3 S+ 0 0 66 2,-0.1 -53,-0.4 -54,-0.0 -5,-0.1 0.385 77.9 119.6 -91.9 9.4 49.5 19.8 7.7 72 79 A L < - 0 0 2 -3,-2.8 -55,-0.1 -6,-0.2 -25,-0.1 -0.596 52.9-152.9 -75.4 113.7 48.6 21.7 4.6 73 80 A P - 0 0 0 0, 0.0 -27,-2.5 0, 0.0 2,-0.3 -0.368 6.5-135.4 -83.8 164.7 45.2 23.4 5.3 74 81 A R B >> -E 45 0A 71 -29,-0.2 3,-1.5 -2,-0.1 4,-0.9 -0.878 33.7-104.0-113.5 151.7 42.5 24.4 2.7 75 82 A L H >> S+ 0 0 0 -31,-2.7 4,-2.2 -2,-0.3 3,-0.9 0.828 115.6 58.3 -42.5 -50.9 40.9 27.8 3.1 76 83 A E H 3> S+ 0 0 55 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.819 101.8 56.9 -53.7 -34.0 37.5 26.6 4.5 77 84 A E H <4 S+ 0 0 74 -3,-1.5 -1,-0.3 2,-0.2 4,-0.2 0.828 108.6 45.1 -69.2 -32.8 39.3 25.0 7.5 78 85 A V H X< S+ 0 0 0 -3,-0.9 3,-1.8 -4,-0.9 -2,-0.2 0.920 112.2 50.4 -76.4 -43.6 41.0 28.2 8.5 79 86 A L H >< S+ 0 0 15 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.770 98.0 70.7 -63.7 -24.3 37.8 30.3 8.1 80 87 A A G >< S+ 0 0 42 -4,-1.3 3,-1.8 1,-0.3 4,-0.3 0.679 78.0 78.2 -66.7 -17.0 36.1 27.6 10.2 81 88 A L G X> S+ 0 0 10 -3,-1.8 4,-2.3 1,-0.3 3,-1.0 0.683 72.6 80.6 -65.9 -14.9 38.0 28.9 13.2 82 89 A K G <4 S+ 0 0 60 -3,-1.7 -1,-0.3 1,-0.3 6,-0.2 0.699 81.3 66.7 -64.8 -15.6 35.5 31.8 13.3 83 90 A E G <4 S+ 0 0 172 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.878 109.0 34.9 -71.2 -37.6 33.3 29.3 15.1 84 91 A A T <4 S+ 0 0 63 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.793 130.4 35.4 -85.0 -32.1 35.6 29.3 18.1 85 92 A F S >< S+ 0 0 48 -4,-2.3 3,-1.9 1,-0.1 -1,-0.3 -0.705 70.4 176.9-123.7 78.2 36.5 32.9 17.8 86 93 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.650 80.0 49.4 -55.9 -20.9 33.3 34.6 16.6 87 94 A Q T 3 S+ 0 0 164 2,-0.1 2,-0.1 -56,-0.0 -5,-0.1 0.471 87.0 112.6 -99.2 -2.6 34.8 38.1 16.6 88 95 A A < - 0 0 6 -3,-1.9 2,-0.3 -6,-0.2 -57,-0.2 -0.402 54.2-148.7 -73.0 144.9 38.0 37.2 14.7 89 96 A V E -c 31 0A 34 -59,-1.8 -57,-1.7 -2,-0.1 2,-0.5 -0.829 4.1-146.6-112.7 152.9 38.6 38.6 11.2 90 97 A F E -cf 32 118A 3 27,-2.9 29,-2.1 -2,-0.3 2,-0.8 -0.974 5.0-162.0-127.0 122.1 40.4 36.8 8.3 91 98 A N E -cf 33 119A 0 -59,-2.8 -57,-2.4 -2,-0.5 2,-0.6 -0.891 14.0-163.2-101.6 106.9 42.5 38.5 5.7 92 99 A V E -cf 34 120A 0 27,-2.3 29,-2.4 -2,-0.8 2,-0.8 -0.829 5.0-154.4 -93.4 119.6 42.9 36.1 2.8 93 100 A E E -cf 35 121A 14 -59,-3.1 -57,-2.4 -2,-0.6 2,-0.7 -0.857 9.6-149.4 -94.8 115.7 45.7 37.0 0.5 94 101 A L E -c 36 0A 0 27,-2.3 2,-0.6 -2,-0.8 29,-0.4 -0.749 10.1-152.2 -84.8 118.0 45.0 35.6 -2.9 95 102 A K - 0 0 25 -59,-2.5 2,-0.3 -2,-0.7 27,-0.0 -0.836 11.8-146.1 -97.4 124.9 48.3 34.8 -4.7 96 103 A S - 0 0 15 -2,-0.6 5,-0.1 -59,-0.1 27,-0.0 -0.622 23.2-148.3 -92.8 146.5 48.1 34.9 -8.4 97 104 A F > - 0 0 30 -2,-0.3 3,-3.1 -39,-0.0 4,-0.3 -0.868 57.1-115.5-103.5 80.6 49.9 32.8 -11.0 98 105 A P T 3 S+ 0 0 110 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.087 104.0 30.7 -28.0 112.6 49.7 36.1 -13.0 99 106 A G T 3 S+ 0 0 61 0, 0.0 4,-0.2 0, 0.0 3,-0.0 -0.053 118.9 59.7 116.6 -23.9 47.5 35.4 -16.0 100 107 A L S <> S+ 0 0 63 -3,-3.1 4,-2.1 2,-0.1 5,-0.2 0.316 79.7 93.1-110.3 0.6 45.7 32.9 -13.9 101 108 A G H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 5,-0.1 0.878 80.1 51.7 -64.2 -42.7 44.7 35.5 -11.4 102 109 A E H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 111.9 46.4 -62.6 -45.6 41.3 36.4 -12.8 103 110 A E H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 114.7 47.1 -63.3 -44.9 40.1 32.8 -13.0 104 111 A A H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.905 110.9 53.7 -62.5 -40.1 41.3 32.1 -9.4 105 112 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.893 107.4 49.3 -61.7 -42.4 39.6 35.3 -8.3 106 113 A R H X S+ 0 0 134 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.902 112.3 48.9 -65.4 -38.1 36.3 34.3 -9.8 107 114 A R H X S+ 0 0 121 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.900 112.9 46.8 -67.2 -40.8 36.6 30.9 -8.0 108 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.893 108.0 56.4 -68.2 -39.8 37.5 32.6 -4.7 109 116 A A H < S+ 0 0 3 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.916 107.7 48.4 -57.5 -45.0 34.6 35.1 -5.0 110 117 A A H >< S+ 0 0 70 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.883 111.1 50.8 -64.4 -37.8 32.1 32.2 -5.4 111 118 A L H 3< S+ 0 0 46 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.2 44.4 -68.3 -35.8 33.6 30.4 -2.4 112 119 A L T >< S+ 0 0 4 -4,-2.3 3,-2.2 -5,-0.1 -1,-0.2 0.287 79.4 147.2 -93.5 11.2 33.4 33.5 -0.2 113 120 A R T < S- 0 0 209 -3,-0.9 3,-0.1 1,-0.3 -3,-0.1 -0.230 80.0 -10.0 -52.0 123.3 29.9 34.6 -1.3 114 121 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.504 95.1 146.8 65.7 4.7 28.1 36.2 1.7 115 122 A R < - 0 0 106 -3,-2.2 3,-0.3 1,-0.0 2,-0.2 -0.507 35.8-146.0 -74.4 141.3 30.8 35.2 4.2 116 123 A E S S+ 0 0 167 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.683 71.2 33.1-106.1 161.5 31.4 37.7 7.0 117 124 A G S S+ 0 0 26 -2,-0.2 -27,-2.9 1,-0.2 2,-0.4 0.677 96.7 104.7 71.8 18.9 34.5 38.7 8.8 118 125 A V E +f 90 0A 11 -3,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.989 40.1 174.8-136.1 139.7 36.7 38.1 5.8 119 126 A W E -f 91 0A 30 -29,-2.1 -27,-2.3 -2,-0.4 2,-0.4 -0.987 22.1-135.3-139.7 147.8 38.4 40.4 3.3 120 127 A V E -fg 92 140A 0 19,-2.2 21,-2.2 -2,-0.3 2,-0.3 -0.886 17.7-173.1-109.4 134.8 40.7 39.5 0.4 121 128 A S E +fg 93 141A 0 -29,-2.4 -27,-2.3 -2,-0.4 2,-0.3 -0.864 6.7 173.4-120.5 158.1 43.9 41.3 -0.5 122 129 A S E - g 0 142A 1 19,-1.5 21,-2.1 -2,-0.3 39,-0.1 -0.975 38.8-141.6-162.1 149.5 46.2 40.8 -3.5 123 130 A F S S+ 0 0 78 -29,-0.4 22,-0.1 -2,-0.3 -28,-0.1 0.572 86.4 89.9 -83.4 -14.2 49.3 42.3 -5.1 124 131 A D > - 0 0 23 -30,-0.3 4,-1.9 1,-0.2 3,-0.4 -0.766 59.4-166.2 -92.4 106.1 47.6 41.6 -8.5 125 132 A P H > S+ 0 0 36 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.840 90.6 55.5 -56.9 -34.9 45.4 44.5 -9.8 126 133 A L H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.880 105.8 50.2 -67.7 -38.5 43.8 42.2 -12.3 127 134 A A H > S+ 0 0 0 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.901 109.5 52.1 -65.7 -40.1 42.7 39.7 -9.7 128 135 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.885 107.7 51.2 -64.9 -38.4 41.2 42.5 -7.7 129 136 A L H X S+ 0 0 86 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.921 112.8 46.1 -64.0 -42.4 39.2 43.8 -10.6 130 137 A A H X S+ 0 0 14 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.891 111.5 52.1 -67.1 -39.9 37.8 40.3 -11.2 131 138 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.923 109.3 49.2 -62.1 -45.2 37.0 39.8 -7.6 132 139 A R H < S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.4 47.8 -64.7 -35.1 35.1 43.0 -7.4 133 140 A K H < S+ 0 0 180 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.892 116.7 42.9 -72.4 -38.9 33.0 42.2 -10.5 134 141 A A H < S+ 0 0 52 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.759 130.5 22.3 -78.2 -28.9 32.3 38.7 -9.2 135 142 A A >< + 0 0 16 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 -0.619 64.4 179.4-142.9 79.1 31.5 39.6 -5.6 136 143 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.744 83.1 52.1 -50.5 -30.1 30.5 43.3 -5.3 137 144 A G T 3 S+ 0 0 76 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.400 82.1 104.6 -93.1 3.6 30.0 42.9 -1.5 138 145 A L S < S- 0 0 12 -3,-2.1 -19,-0.1 -7,-0.2 -3,-0.1 -0.752 72.9-124.9 -88.9 120.6 33.4 41.4 -0.6 139 146 A P - 0 0 58 0, 0.0 -19,-2.2 0, 0.0 2,-0.3 -0.381 33.1-164.4 -63.9 139.9 35.8 43.8 1.0 140 147 A L E -g 120 0A 2 -21,-0.2 18,-1.9 16,-0.1 19,-1.9 -0.935 15.1-161.7-131.7 152.3 39.2 44.1 -0.8 141 148 A G E -gh 121 159A 0 -21,-2.2 -19,-1.5 -2,-0.3 2,-0.7 -0.982 16.9-135.5-132.4 142.8 42.7 45.4 -0.1 142 149 A F E -gh 122 160A 3 17,-1.9 19,-3.2 -2,-0.4 2,-0.3 -0.876 19.5-149.2-101.8 112.6 45.5 46.2 -2.5 143 150 A L E - h 0 161A 8 -21,-2.1 2,-0.4 -2,-0.7 -2,-0.0 -0.614 15.0-169.3 -79.3 138.0 48.9 44.9 -1.4 144 151 A M E + h 0 162A 1 17,-2.1 19,-1.8 -2,-0.3 22,-0.1 -0.986 26.4 176.0-136.2 125.9 51.8 47.0 -2.5 145 152 A A S S+ 0 0 58 -2,-0.4 2,-0.3 17,-0.2 -1,-0.1 0.653 89.1 25.2 -93.3 -26.2 55.6 46.1 -2.3 146 153 A E S S- 0 0 133 20,-0.0 2,-1.5 19,-0.0 -1,-0.1 -0.895 111.4 -81.5-129.8 160.1 56.4 49.4 -4.0 147 154 A D + 0 0 83 -2,-0.3 3,-0.3 1,-0.2 -3,-0.0 -0.475 59.2 155.0 -73.1 92.7 54.3 52.5 -4.0 148 155 A H > + 0 0 92 -2,-1.5 3,-2.1 1,-0.2 4,-0.3 -0.117 19.6 135.6-105.2 33.5 51.7 51.9 -6.7 149 156 A S G > + 0 0 29 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.720 54.2 81.0 -54.9 -23.5 49.1 54.2 -5.2 150 157 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.3 4,-0.2 0.749 89.3 54.7 -56.5 -24.1 48.4 55.6 -8.7 151 158 A L G X> S+ 0 0 73 -3,-2.1 3,-1.7 1,-0.2 4,-0.7 0.670 82.2 88.3 -84.2 -17.7 46.2 52.5 -9.3 152 159 A L G X4 S+ 0 0 7 -3,-1.6 3,-1.2 -4,-0.3 5,-0.3 0.857 81.0 58.1 -51.3 -42.3 44.0 53.0 -6.3 153 160 A P G 34 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.764 110.9 44.6 -61.3 -22.6 41.5 55.3 -8.1 154 161 A C G <4 S+ 0 0 105 -3,-1.7 2,-0.3 -4,-0.2 -2,-0.2 0.458 100.8 81.6 -99.7 -3.7 40.8 52.5 -10.6 155 162 A L S << S- 0 0 20 -3,-1.2 2,-1.3 -4,-0.7 -26,-0.1 -0.774 76.5-131.4-103.1 149.0 40.6 49.7 -8.2 156 163 A G + 0 0 24 -2,-0.3 2,-0.4 -28,-0.1 -16,-0.1 -0.675 58.2 137.8 -97.1 78.4 37.5 48.8 -6.2 157 164 A V - 0 0 17 -2,-1.3 -16,-0.2 -5,-0.3 -2,-0.1 -0.955 47.8-163.4-129.3 147.1 39.1 48.4 -2.8 158 165 A E S S+ 0 0 84 -18,-1.9 23,-2.2 -2,-0.4 2,-0.3 0.579 81.6 36.0 -97.9 -15.1 38.3 49.5 0.7 159 166 A A E -hi 141 181A 5 -19,-1.9 -17,-1.9 21,-0.2 2,-0.4 -0.951 61.3-148.5-139.4 158.0 41.8 49.1 2.0 160 167 A V E -hi 142 182A 0 21,-2.5 23,-2.1 -2,-0.3 -17,-0.2 -0.984 10.7-158.6-123.4 134.3 45.4 49.5 0.9 161 168 A H E -h 143 0A 0 -19,-3.2 -17,-2.1 -2,-0.4 2,-0.2 -0.725 19.3-176.5-116.1 80.8 48.0 47.1 2.3 162 169 A P E -h 144 0A 0 0, 0.0 23,-1.3 0, 0.0 -17,-0.2 -0.481 35.5-106.7 -81.3 147.2 51.4 48.8 2.0 163 170 A H B > -l 185 0C 56 -19,-1.8 3,-2.6 21,-0.2 4,-0.4 -0.474 41.9-113.8 -61.1 140.2 54.8 47.3 2.9 164 171 A H G > S+ 0 0 49 21,-3.2 3,-1.3 1,-0.3 -1,-0.1 0.779 114.4 66.0 -53.6 -28.5 55.6 49.2 6.1 165 172 A A G 3 S+ 0 0 67 20,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.627 97.6 54.9 -69.3 -13.3 58.6 50.9 4.4 166 173 A L G < S+ 0 0 35 -3,-2.6 2,-0.8 -22,-0.1 -1,-0.3 0.529 83.8 104.1 -94.6 -8.6 56.1 52.7 2.1 167 174 A V < + 0 0 1 -3,-1.3 2,-0.3 -4,-0.4 3,-0.0 -0.670 42.3 146.9 -83.1 110.4 54.2 54.2 5.0 168 175 A T > - 0 0 53 -2,-0.8 4,-2.7 1,-0.1 5,-0.3 -0.871 61.8-101.1-133.5 165.0 55.0 57.9 5.6 169 176 A E H > S+ 0 0 155 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.910 123.4 46.3 -56.2 -42.1 53.0 60.8 6.8 170 177 A E H > S+ 0 0 163 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.870 111.6 50.0 -69.5 -38.1 52.5 62.0 3.2 171 178 A A H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 112.2 48.3 -66.3 -42.7 51.6 58.6 1.8 172 179 A V H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.887 106.9 55.9 -64.1 -40.0 49.0 58.1 4.6 173 180 A A H X S+ 0 0 61 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.890 108.5 49.6 -59.5 -38.0 47.6 61.6 4.0 174 181 A G H X S+ 0 0 37 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.915 111.5 46.4 -67.4 -43.3 47.0 60.5 0.4 175 182 A W H <>S+ 0 0 5 -4,-2.1 5,-2.4 1,-0.2 3,-0.4 0.853 111.5 52.5 -68.1 -34.4 45.3 57.2 1.4 176 183 A R H ><5S+ 0 0 85 -4,-2.7 3,-2.5 1,-0.2 -1,-0.2 0.883 99.8 62.2 -67.6 -38.4 43.1 59.0 3.9 177 184 A K H 3<5S+ 0 0 190 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 107.0 46.0 -57.2 -28.0 42.0 61.5 1.3 178 185 A R T 3<5S- 0 0 134 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.323 116.9-116.8 -97.0 7.1 40.5 58.5 -0.5 179 186 A G T < 5 + 0 0 67 -3,-2.5 -3,-0.2 1,-0.2 2,-0.2 0.817 58.4 162.9 62.9 33.1 39.0 57.2 2.7 180 187 A L < - 0 0 11 -5,-2.4 2,-0.6 -21,-0.0 -21,-0.2 -0.556 41.9-124.9 -89.3 151.3 41.1 54.0 2.5 181 188 A F E -i 159 0A 77 -23,-2.2 -21,-2.5 -2,-0.2 2,-0.6 -0.820 29.2-147.3 -92.7 122.2 41.8 51.5 5.4 182 189 A V E +i 160 0A 0 -2,-0.6 20,-1.8 -23,-0.2 21,-1.3 -0.840 21.4 174.3-103.8 121.1 45.5 51.2 5.8 183 190 A V E -j 203 0A 0 -23,-2.1 21,-0.2 -2,-0.6 2,-0.2 -0.977 16.1-156.3-125.7 114.6 47.1 47.9 7.0 184 191 A A E -j 204 0A 0 19,-2.1 21,-2.6 -2,-0.5 3,-0.3 -0.557 14.9-118.3 -91.5 158.1 50.9 47.6 7.0 185 192 A W B +l 163 0C 42 -23,-1.3 -21,-3.2 1,-0.2 -20,-0.3 -0.974 64.2 0.4-158.7 154.3 53.1 44.6 6.8 186 193 A T + 0 0 28 19,-0.5 2,-0.7 -2,-0.3 -1,-0.2 0.303 63.9 169.5-112.0 114.3 55.2 42.9 8.0 187 194 A V + 0 0 1 18,-2.1 21,-0.4 -3,-0.3 24,-0.1 -0.721 13.5 149.5 -91.3 108.2 55.8 44.5 11.3 188 195 A N + 0 0 51 -2,-0.7 2,-0.4 18,-0.2 -1,-0.1 0.348 52.7 79.1-118.5 5.8 57.9 42.6 13.8 189 196 A E > - 0 0 140 1,-0.1 4,-2.5 22,-0.0 5,-0.2 -0.938 67.6-141.0-121.5 140.5 59.5 45.4 15.8 190 197 A E H > S+ 0 0 121 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.905 103.0 54.1 -60.8 -44.6 58.1 47.6 18.5 191 198 A G H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.938 113.5 40.4 -56.7 -50.3 59.9 50.7 17.2 192 199 A E H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 112.7 56.3 -67.5 -38.1 58.4 50.4 13.7 193 200 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 109.6 45.7 -60.3 -41.0 55.0 49.3 15.1 194 201 A R H X S+ 0 0 137 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.847 109.6 54.2 -74.6 -30.3 54.8 52.5 17.2 195 202 A R H X S+ 0 0 91 -4,-1.7 4,-0.7 -5,-0.2 -2,-0.2 0.946 112.3 45.3 -65.2 -44.3 56.0 54.7 14.3 196 203 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.3 1,-0.2 3,-0.8 0.905 112.8 48.1 -66.0 -44.7 53.2 53.3 12.1 197 204 A L H ><5S+ 0 0 37 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.826 104.2 61.3 -66.8 -30.5 50.5 53.5 14.8 198 205 A A H 3<5S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.755 100.2 56.5 -66.0 -23.3 51.5 57.1 15.5 199 206 A L T <<5S- 0 0 48 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.480 123.1-107.9 -86.1 -3.9 50.6 57.8 11.8 200 207 A G T < 5 + 0 0 38 -3,-1.6 -3,-0.2 -4,-0.2 -18,-0.2 0.723 52.4 175.6 87.6 23.4 47.1 56.5 12.5 201 208 A L < - 0 0 8 -5,-1.3 -1,-0.2 1,-0.1 -18,-0.1 -0.197 29.2-141.0 -61.7 155.7 47.2 53.2 10.6 202 209 A D S S+ 0 0 38 -20,-1.8 -200,-2.8 1,-0.2 2,-0.3 0.553 74.7 4.6 -95.0 -12.3 44.1 50.9 10.9 203 210 A G E -aj 2 183A 0 -21,-1.3 -19,-2.1 -202,-0.3 2,-0.4 -0.976 52.9-151.0-169.7 155.9 45.9 47.6 11.1 204 211 A L E -aj 3 184A 2 -202,-2.6 -200,-3.0 -2,-0.3 2,-0.5 -1.000 7.5-155.9-136.4 133.7 49.2 45.8 11.4 205 212 A I E +a 4 0A 5 -21,-2.6 -18,-2.1 -2,-0.4 -19,-0.5 -0.944 31.9 159.3-108.1 123.4 50.1 42.3 10.1 206 213 A G E -a 5 0A 1 -202,-2.5 -200,-2.7 -2,-0.5 -18,-0.2 -0.976 50.6-130.1-148.2 162.5 53.1 40.8 12.0 207 214 A D S S+ 0 0 37 -2,-0.3 -196,-0.6 -202,-0.2 -19,-0.1 0.562 93.4 65.3 -84.9 -12.4 54.9 37.6 12.9 208 215 A R >> - 0 0 104 -21,-0.4 4,-1.4 1,-0.1 3,-1.1 -0.886 57.2-168.7-120.6 104.6 55.1 38.4 16.7 209 216 A P H 3> S+ 0 0 10 0, 0.0 4,-3.0 0, 0.0 -1,-0.1 0.873 89.0 61.6 -54.3 -39.1 51.8 38.5 18.7 210 217 A E H 34 S+ 0 0 110 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.829 103.6 49.5 -57.8 -34.9 53.7 40.0 21.7 211 218 A V H <4 S+ 0 0 22 -3,-1.1 -1,-0.2 1,-0.1 4,-0.1 0.877 117.3 39.7 -73.1 -37.2 54.6 43.1 19.6 212 219 A L H >< S+ 0 0 0 -4,-1.4 3,-1.8 1,-0.1 -2,-0.2 0.857 98.6 74.6 -81.4 -37.2 51.1 43.7 18.3 213 220 A L T 3< S+ 0 0 59 -4,-3.0 -1,-0.1 1,-0.3 -2,-0.1 0.843 95.3 47.4 -45.4 -50.7 49.1 42.9 21.5 214 221 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.562 88.6 111.0 -73.2 -5.7 49.8 46.1 23.4 215 222 A L < + 0 0 17 -3,-1.8 -212,-0.1 -4,-0.1 -21,-0.0 -0.488 53.2 56.1 -74.4 133.9 49.1 48.3 20.4 216 223 A G 0 0 55 1,-0.4 -1,-0.1 -2,-0.2 -213,-0.0 0.782 360.0 360.0 112.3 58.8 46.0 50.5 20.5 217 224 A G 0 0 138 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.688 360.0 360.0 121.9 360.0 46.0 52.8 23.6