==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HALOPEROXIDASE 30-MAR-98 1BRT . COMPND 2 MOLECULE: BROMOPEROXIDASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AUREOFACIENS; . AUTHOR B.HOFMANN,S.TOELZER,I.PELLETIER,J.ALTENBUCHNER,K.H.VAN PEE, . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.1 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 . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 1 1 0 1 0 1 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 2 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 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 P 0 0 81 0, 0.0 16,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.2 94.7 37.3 85.3 2 2 A F E -A 16 0A 116 14,-0.2 2,-0.4 54,-0.0 14,-0.2 -0.973 360.0-161.8-138.6 146.4 93.8 35.4 82.2 3 3 A I E -A 15 0A 6 12,-2.2 12,-2.8 -2,-0.4 2,-0.4 -0.993 27.2-132.4-118.3 128.3 94.2 35.3 78.4 4 4 A T E +A 14 0A 71 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.643 30.4 168.8 -82.2 127.0 91.8 33.1 76.4 5 5 A V E - 0 0 24 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.421 59.7 -31.4-117.3 -6.6 93.6 30.9 73.9 6 6 A G E -A 13 0A 24 7,-1.0 7,-2.7 2,-0.0 2,-0.3 -0.977 58.6 -97.0 175.3-170.9 90.9 28.5 72.8 7 7 A Q E -A 12 0A 127 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.985 14.9-166.9-139.1 147.0 87.8 26.6 73.6 8 8 A E E > -A 11 0A 37 3,-2.7 3,-2.6 -2,-0.3 -2,-0.0 -0.937 65.2 -56.1-136.3 109.5 87.1 23.0 74.7 9 9 A N T 3 S- 0 0 161 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.274 123.1 -13.0 56.2-126.5 83.5 21.9 74.6 10 10 A S T 3 S+ 0 0 116 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.408 125.9 76.5 -80.7 -1.6 81.5 24.3 76.7 11 11 A T E < S-A 8 0A 67 -3,-2.6 -3,-2.7 1,-0.0 2,-0.3 -0.736 74.3-122.7-114.3 155.2 84.5 25.9 78.4 12 12 A S E -A 7 0A 39 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.3 -0.672 22.2-127.2 -89.9 153.4 87.2 28.4 77.4 13 13 A I E -A 6 0A 5 -7,-2.7 -8,-3.0 -2,-0.3 -7,-1.0 -0.920 38.0-178.3 -98.6 109.9 90.9 27.5 77.6 14 14 A D E -A 4 0A 35 -2,-0.7 51,-2.8 -10,-0.2 2,-0.5 -0.900 18.1-148.6-118.7 133.8 92.4 30.4 79.7 15 15 A L E -A 3 0A 1 -12,-2.8 -12,-2.2 -2,-0.4 2,-0.3 -0.909 16.8-131.1-100.6 131.2 96.0 30.9 80.6 16 16 A Y E +A 2 0A 29 -2,-0.5 41,-2.5 41,-0.2 2,-0.3 -0.561 38.0 167.3 -73.2 138.3 96.9 32.5 83.9 17 17 A Y E -B 56 0B 42 -16,-2.3 2,-0.3 -2,-0.3 39,-0.2 -0.975 25.8-149.9-147.3 166.5 99.5 35.3 83.5 18 18 A E E -B 55 0B 34 37,-2.5 37,-1.7 -2,-0.3 2,-0.4 -0.957 4.4-161.7-136.7 154.2 101.0 38.2 85.4 19 19 A D E +B 54 0B 58 -2,-0.3 2,-0.4 35,-0.2 35,-0.2 -0.900 21.4 169.1-142.2 105.5 102.4 41.5 84.0 20 20 A H E +B 53 0B 78 33,-2.7 33,-2.9 -2,-0.4 -2,-0.0 -0.931 31.1 5.6-125.4 151.8 104.8 43.4 86.2 21 21 A G - 0 0 45 -2,-0.4 2,-0.4 31,-0.2 31,-0.2 -0.199 69.9 -82.2 82.4-178.1 107.1 46.4 86.0 22 22 A T S S+ 0 0 128 29,-0.5 2,-0.3 25,-0.2 -1,-0.0 -0.999 76.4 50.8-137.0 129.6 108.1 49.0 83.5 23 23 A G S S- 0 0 40 -2,-0.4 28,-0.2 28,-0.1 27,-0.1 -0.920 93.6 -6.7 141.5-163.9 110.5 48.6 80.6 24 24 A Q S S- 0 0 60 26,-0.5 28,-2.1 -2,-0.3 2,-0.3 -0.486 79.8-108.3 -62.3 135.1 111.3 46.3 77.7 25 25 A P E -c 52 0B 12 0, 0.0 68,-2.5 0, 0.0 2,-0.5 -0.506 32.5-172.1 -76.4 133.2 109.1 43.2 77.9 26 26 A V E -cd 53 93B 1 26,-2.6 28,-2.7 -2,-0.3 2,-0.6 -0.993 9.0-156.8-123.0 116.6 110.7 39.9 78.9 27 27 A V E -cd 54 94B 0 66,-3.2 68,-3.0 -2,-0.5 2,-0.5 -0.901 5.7-158.4-103.8 121.5 108.4 36.9 78.6 28 28 A L E -cd 55 95B 0 26,-2.7 28,-0.8 -2,-0.6 2,-0.5 -0.891 4.6-165.5-104.7 123.0 109.4 33.9 80.8 29 29 A I E -cd 56 96B 0 66,-2.8 68,-2.1 -2,-0.5 71,-0.2 -0.948 9.4-153.7-118.4 114.0 108.1 30.5 79.8 30 30 A H - 0 0 0 26,-0.5 2,-0.2 -2,-0.5 6,-0.1 -0.122 6.7-135.1 -75.3 177.7 108.3 27.6 82.3 31 31 A G > - 0 0 2 4,-0.2 3,-2.1 68,-0.2 67,-0.1 -0.645 45.0 -14.0-124.5-172.0 108.6 23.9 81.8 32 32 A F T 3 S- 0 0 3 1,-0.3 67,-0.2 -2,-0.2 -1,-0.1 -0.426 116.2 -7.1 -71.4 143.9 107.1 20.7 83.1 33 33 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 29,-0.3 -0.619 112.9 74.0-111.7 48.4 105.5 20.4 85.6 34 34 A L < - 0 0 6 -3,-2.1 28,-0.3 27,-0.1 2,-0.3 0.317 62.7-123.9-101.7-145.8 105.8 23.8 87.2 35 35 A S > - 0 0 5 26,-0.1 3,-1.8 22,-0.1 -4,-0.2 -0.933 39.8 -79.1-157.1 178.1 104.3 27.3 86.6 36 36 A G G > S+ 0 0 2 1,-0.3 3,-1.7 -2,-0.3 21,-0.1 0.768 119.5 69.7 -65.0 -21.2 105.3 30.9 86.0 37 37 A H G > S+ 0 0 80 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.707 79.8 77.1 -72.1 -16.4 105.9 31.4 89.7 38 38 A S G < S+ 0 0 27 -3,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.658 85.2 64.6 -65.7 -11.9 109.0 29.1 89.4 39 39 A W G X> + 0 0 0 -3,-1.7 4,-2.9 1,-0.2 3,-1.3 0.355 66.4 118.4 -89.7 10.6 110.8 32.1 87.8 40 40 A E H <> S+ 0 0 99 -3,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.739 71.5 51.1 -53.6 -36.4 110.6 34.2 91.1 41 41 A R H 3> S+ 0 0 98 -3,-0.4 4,-1.2 1,-0.2 -1,-0.3 0.841 117.9 39.8 -72.2 -31.8 114.3 34.5 91.7 42 42 A Q H <> S+ 0 0 0 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.884 112.1 55.8 -78.5 -42.5 114.8 35.8 88.0 43 43 A S H X S+ 0 0 18 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.929 107.3 50.5 -57.7 -41.9 111.6 37.9 88.1 44 44 A A H X S+ 0 0 52 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.924 113.0 45.2 -62.5 -39.9 112.9 39.8 91.2 45 45 A A H X S+ 0 0 22 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.896 113.6 49.2 -71.2 -36.4 116.3 40.5 89.5 46 46 A L H <>S+ 0 0 3 -4,-2.8 5,-2.1 2,-0.2 4,-0.3 0.888 110.5 50.9 -70.4 -35.8 114.7 41.5 86.2 47 47 A L H ><5S+ 0 0 63 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.948 109.9 49.3 -66.7 -37.7 112.3 43.9 87.9 48 48 A D H 3<5S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 108.7 55.1 -70.4 -27.9 115.1 45.5 89.9 49 49 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.431 124.5 -98.7 -83.5 -2.1 117.1 45.9 86.7 50 50 A G T < 5S+ 0 0 43 -3,-1.4 -26,-0.5 -4,-0.3 2,-0.3 0.808 75.8 130.2 98.0 24.3 114.3 47.8 84.9 51 51 A Y < - 0 0 31 -5,-2.1 2,-0.5 -28,-0.2 -29,-0.5 -0.767 57.4-121.3-107.6 159.6 112.4 45.3 82.7 52 52 A R E - c 0 25B 64 -28,-2.1 -26,-2.6 -2,-0.3 2,-0.5 -0.881 33.3-152.3 -94.1 128.3 108.7 44.5 82.4 53 53 A V E -Bc 20 26B 2 -33,-2.9 -33,-2.7 -2,-0.5 2,-0.5 -0.940 14.7-174.6-112.6 118.8 108.2 40.8 83.3 54 54 A I E +Bc 19 27B 0 -28,-2.7 -26,-2.7 -2,-0.5 2,-0.3 -0.978 7.4 174.6-113.3 128.3 105.4 38.7 81.9 55 55 A T E +Bc 18 28B 6 -37,-1.7 -37,-2.5 -2,-0.5 2,-0.3 -0.947 2.8 179.9-127.0 147.8 105.0 35.1 83.1 56 56 A Y E -Bc 17 29B 1 -28,-0.8 -26,-0.5 -2,-0.3 2,-0.5 -0.987 29.6-117.2-142.9 160.6 102.2 32.7 82.2 57 57 A D - 0 0 1 -41,-2.5 -41,-0.2 -2,-0.3 3,-0.1 -0.862 36.0-124.1 -97.4 127.1 101.2 29.2 83.1 58 58 A R > - 0 0 5 -2,-0.5 3,-2.3 1,-0.2 6,-0.3 -0.236 45.4 -73.1 -66.7 159.3 101.2 26.9 80.1 59 59 A R T 3 S+ 0 0 11 1,-0.3 7,-0.2 11,-0.1 -1,-0.2 -0.221 122.5 20.7 -55.8 133.3 98.0 25.0 79.3 60 60 A G T 3 S+ 0 0 0 5,-2.6 134,-2.6 1,-0.3 2,-0.3 0.424 111.6 88.5 89.3 -4.6 97.5 22.2 81.8 61 61 A F S X S- 0 0 4 -3,-2.3 3,-2.1 4,-0.3 -1,-0.3 -0.864 83.4 -14.5-130.9 156.0 99.7 23.6 84.4 62 62 A G T 3 S- 0 0 9 127,-0.4 -27,-0.1 -28,-0.3 -3,-0.0 -0.259 123.2 -21.5 61.8-131.5 99.6 26.0 87.4 63 63 A Q T 3 S+ 0 0 104 -47,-0.1 -1,-0.3 130,-0.0 2,-0.1 0.225 109.4 109.0 -98.4 8.7 96.4 28.1 87.5 64 64 A S S < S- 0 0 6 -3,-2.1 -49,-0.2 -6,-0.3 -6,-0.1 -0.417 81.6 -80.1 -80.6 165.5 95.6 27.7 83.8 65 65 A S - 0 0 37 -51,-2.8 -5,-2.6 1,-0.1 -4,-0.3 -0.169 35.9-136.3 -58.1 160.7 92.8 25.7 82.4 66 66 A Q + 0 0 96 -7,-0.2 130,-0.1 -6,-0.1 -1,-0.1 -0.578 32.1 171.6-123.3 69.7 93.3 21.9 82.1 67 67 A P - 0 0 0 0, 0.0 130,-0.2 0, 0.0 129,-0.0 -0.207 37.0-136.1 -74.4 170.1 92.0 20.8 78.7 68 68 A T S S+ 0 0 66 128,-0.1 2,-0.3 129,-0.0 3,-0.1 0.132 82.6 71.5-107.6 22.5 92.4 17.3 77.3 69 69 A T S S+ 0 0 69 1,-0.1 128,-0.0 -61,-0.0 127,-0.0 -0.902 76.3 37.7-133.6 156.9 93.3 18.7 73.8 70 70 A G + 0 0 22 -2,-0.3 2,-1.6 1,-0.2 -1,-0.1 0.710 53.6 151.7 81.9 29.6 96.2 20.5 72.2 71 71 A Y + 0 0 24 4,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.572 40.8 97.2 -96.1 84.5 99.3 19.0 73.7 72 72 A D S > S- 0 0 63 -2,-1.6 4,-2.6 1,-0.1 3,-0.3 -0.975 82.6-109.1-158.3 156.2 101.8 19.5 70.9 73 73 A Y H > S+ 0 0 2 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.772 114.9 59.6 -69.0 -22.0 104.4 22.2 70.3 74 74 A D H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 110.3 43.2 -67.3 -41.6 102.5 23.8 67.4 75 75 A T H > S+ 0 0 37 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.937 112.2 52.6 -68.2 -40.0 99.6 24.5 69.8 76 76 A F H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.847 110.8 48.8 -61.8 -36.3 101.9 25.6 72.6 77 77 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.852 109.0 52.2 -69.5 -34.0 103.4 28.1 70.1 78 78 A A H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.863 107.4 52.5 -63.6 -37.7 99.9 29.2 69.1 79 79 A D H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.933 110.5 47.7 -64.5 -44.0 99.2 29.9 72.8 80 80 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.892 109.0 53.7 -62.1 -43.3 102.3 32.0 73.0 81 81 A N H X S+ 0 0 27 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.924 108.1 51.2 -56.4 -39.3 101.4 33.9 69.8 82 82 A T H X S+ 0 0 38 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.902 109.1 50.7 -65.5 -39.5 98.0 34.7 71.4 83 83 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.942 113.9 43.6 -62.3 -45.9 99.7 36.0 74.5 84 84 A L H X>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 4,-0.7 0.902 117.0 45.7 -68.9 -37.8 102.0 38.3 72.5 85 85 A E H <5S+ 0 0 97 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.2 0.897 111.9 51.5 -71.6 -36.6 99.3 39.5 70.1 86 86 A T H <5S+ 0 0 87 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.918 117.3 38.5 -68.7 -35.9 96.8 40.1 73.0 87 87 A L H <5S- 0 0 32 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.556 104.3-135.0 -86.1 -11.3 99.3 42.2 74.9 88 88 A D T <5 - 0 0 103 -4,-0.7 2,-0.2 -3,-0.3 -3,-0.2 0.892 34.2-173.3 58.6 52.1 100.6 43.8 71.7 89 89 A L < - 0 0 3 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.493 10.0-173.1 -80.7 139.5 104.2 43.3 72.7 90 90 A Q + 0 0 99 -2,-0.2 25,-0.1 1,-0.2 26,-0.1 -0.949 66.6 12.6-127.8 152.6 107.0 44.7 70.7 91 91 A D S S+ 0 0 103 -2,-0.3 25,-0.2 23,-0.3 2,-0.2 0.892 89.8 169.7 55.7 36.5 110.8 44.3 71.0 92 92 A A E - e 0 116B 0 23,-2.8 25,-2.5 -3,-0.2 26,-1.1 -0.541 33.7-137.8 -83.7 156.5 110.1 41.5 73.4 93 93 A V E -de 26 118B 1 -68,-2.5 -66,-3.2 -2,-0.2 2,-0.5 -0.916 13.8-153.4-106.3 124.3 112.6 39.0 74.8 94 94 A L E -de 27 119B 0 24,-1.9 26,-2.3 -2,-0.5 2,-0.5 -0.903 12.8-176.0 -99.9 125.6 111.4 35.3 74.9 95 95 A V E -de 28 120B 0 -68,-3.0 -66,-2.8 -2,-0.5 2,-0.3 -0.960 4.2-172.2-121.5 112.6 113.1 33.3 77.6 96 96 A G E -de 29 121B 0 24,-2.6 26,-2.6 -2,-0.5 2,-0.4 -0.775 4.9-162.8-101.8 151.5 112.3 29.6 77.8 97 97 A F E > - e 0 122B 5 -68,-2.1 3,-2.0 -2,-0.3 26,-0.2 -0.991 54.4 -33.3-128.1 140.0 113.3 27.0 80.4 98 98 A S G > S- 0 0 3 24,-2.2 3,-2.4 -2,-0.4 27,-0.5 -0.181 131.4 -2.7 57.1-133.6 113.3 23.3 80.2 99 99 A T G > S+ 0 0 7 1,-0.3 3,-1.7 -67,-0.2 4,-0.4 0.748 124.4 73.3 -71.7 -7.9 110.4 21.9 78.1 100 100 A G G <> S+ 0 0 0 -3,-2.0 4,-0.8 1,-0.3 -1,-0.3 0.620 79.0 76.9 -75.6 -8.3 109.1 25.4 77.5 101 101 A T H <> S+ 0 0 0 -3,-2.4 4,-1.6 1,-0.2 -1,-0.3 0.683 80.2 71.2 -73.6 -13.7 112.1 26.0 75.2 102 102 A G H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.932 98.2 45.3 -66.5 -42.4 110.2 23.9 72.6 103 103 A E H > S+ 0 0 2 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.797 105.1 62.3 -76.3 -20.0 107.6 26.6 71.9 104 104 A V H X S+ 0 0 0 -4,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.960 110.7 38.9 -64.0 -47.7 110.2 29.4 71.7 105 105 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.900 117.7 49.1 -66.5 -44.2 111.8 27.6 68.7 106 106 A R H X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.882 109.9 51.8 -68.0 -32.7 108.5 26.7 67.2 107 107 A Y H X>S+ 0 0 6 -4,-2.4 4,-2.9 -5,-0.2 5,-0.7 0.951 110.2 48.2 -63.5 -46.9 107.1 30.2 67.6 108 108 A V H X5S+ 0 0 4 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.914 114.7 46.3 -62.4 -40.8 110.1 31.7 65.8 109 109 A S H <5S+ 0 0 28 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.937 122.4 33.3 -69.4 -41.1 109.9 29.3 63.0 110 110 A S H <5S+ 0 0 69 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.778 132.6 24.6 -82.6 -38.1 106.1 29.5 62.4 111 111 A Y H <5S- 0 0 100 -4,-2.9 3,-0.3 -5,-0.3 -3,-0.2 0.551 97.6-136.6-109.1 -14.7 105.4 33.1 63.2 112 112 A G << - 0 0 28 -4,-1.3 3,-0.3 -5,-0.7 -1,-0.2 -0.156 27.0 -77.4 84.0 178.7 108.7 34.9 62.7 113 113 A T S > S+ 0 0 25 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.136 79.5 119.2-112.7 24.6 110.5 37.5 64.7 114 114 A A T 3 S+ 0 0 99 -3,-0.3 -23,-0.3 1,-0.3 -1,-0.2 0.860 89.9 36.7 -57.5 -32.4 108.7 40.9 64.0 115 115 A R T 3 S+ 0 0 34 -3,-0.3 -23,-2.8 -25,-0.1 2,-0.5 0.435 105.7 91.6 -94.0 -1.4 107.8 41.2 67.7 116 116 A I E < +e 92 0B 11 -3,-1.5 -23,-0.2 -25,-0.2 3,-0.1 -0.867 39.0 174.1-111.7 127.9 111.0 39.7 69.0 117 117 A A E S- 0 0 23 -25,-2.5 2,-0.3 -2,-0.5 -24,-0.2 0.829 74.6 -12.7 -86.8 -45.0 114.3 41.4 70.0 118 118 A K E -e 93 0B 22 -26,-1.1 -24,-1.9 100,-0.2 2,-0.3 -0.978 56.7-144.4-154.3 160.0 116.1 38.3 71.4 119 119 A V E -ef 94 220B 0 100,-2.2 102,-1.3 -2,-0.3 2,-0.4 -0.960 9.2-163.0-133.9 150.1 115.6 34.7 72.5 120 120 A A E -ef 95 221B 0 -26,-2.3 -24,-2.6 -2,-0.3 2,-0.5 -0.999 5.4-159.8-136.0 139.3 117.1 32.7 75.3 121 121 A F E -ef 96 222B 0 100,-2.8 102,-2.5 -2,-0.4 2,-0.5 -0.964 11.7-175.4-122.7 105.9 117.2 28.9 75.9 122 122 A L E S-ef 97 223B 0 -26,-2.6 -24,-2.2 -2,-0.5 102,-0.2 -0.928 73.9 -13.8-108.4 124.9 117.8 27.7 79.5 123 123 A A S S- 0 0 0 100,-2.6 -1,-0.2 -2,-0.5 -22,-0.2 0.938 99.4-172.1 52.5 54.1 118.2 24.0 80.2 124 124 A S - 0 0 0 99,-0.4 113,-0.3 -3,-0.3 -25,-0.1 -0.176 38.5-142.3 -88.0 165.3 116.7 23.4 76.7 125 125 A L + 0 0 1 -27,-0.5 3,-0.2 111,-0.1 -1,-0.1 0.620 52.2 152.1 -99.5 -12.0 115.5 20.3 74.9 126 126 A E + 0 0 0 1,-0.2 114,-0.4 2,-0.1 113,-0.2 -0.217 42.5 24.0 -67.6 156.8 116.8 21.3 71.3 127 127 A P S S- 0 0 10 0, 0.0 82,-2.4 0, 0.0 83,-0.3 -0.948 119.1 -46.0 -92.2 -21.6 117.6 20.1 68.9 128 128 A F - 0 0 18 107,-0.4 80,-0.1 -3,-0.2 11,-0.1 -0.756 40.2-163.5-176.2 106.4 116.0 16.6 69.0 129 129 A L + 0 0 6 78,-0.5 11,-1.6 76,-0.5 10,-1.5 0.693 61.1 98.0 -75.2 -21.4 116.0 14.4 72.0 130 130 A L B S-h 140 0C 23 8,-0.2 2,-0.6 9,-0.2 8,-0.2 -0.636 70.4-135.4 -76.2 129.6 115.1 11.1 70.3 131 131 A K + 0 0 110 9,-2.7 11,-0.3 -2,-0.3 2,-0.3 -0.751 43.4 149.0 -84.2 122.4 118.0 8.8 69.5 132 132 A T B > -I 135 0D 42 3,-1.0 3,-1.4 -2,-0.6 6,-0.2 -0.872 62.0 -90.9-137.6 178.2 117.4 7.5 65.9 133 133 A D T 3 S+ 0 0 168 1,-0.3 -1,-0.0 -2,-0.3 -2,-0.0 0.904 128.3 42.8 -62.7 -38.7 119.7 6.4 63.1 134 134 A D T 3 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.478 118.6 48.9 -85.2 -2.2 119.8 9.9 61.6 135 135 A N B X +I 132 0D 12 -3,-1.4 3,-2.2 1,-0.1 -3,-1.0 -0.547 58.1 161.4-139.1 76.1 120.2 11.5 65.0 136 136 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.708 73.1 65.4 -70.0 -16.6 122.9 9.7 66.9 137 137 A D T 3 S+ 0 0 69 -7,-0.1 -6,-0.1 -3,-0.1 102,-0.1 0.434 75.9 119.5 -86.4 -0.7 123.2 12.6 69.3 138 138 A G < - 0 0 2 -3,-2.2 -8,-0.2 -8,-0.2 -9,-0.2 -0.210 65.9-131.6 -62.2 154.2 119.7 12.0 70.7 139 139 A A S S- 0 0 36 -10,-1.5 -9,-0.2 1,-0.2 -1,-0.1 0.839 72.7 -6.7 -75.6 -36.8 119.4 11.2 74.4 140 140 A A B -h 130 0C 12 -11,-1.6 -9,-2.7 3,-0.0 -1,-0.2 -0.999 67.1 -98.4-161.6 160.7 117.2 8.1 74.4 141 141 A P >> - 0 0 58 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.259 49.1 -95.2 -76.9 168.7 115.0 5.8 72.4 142 142 A Q H >> S+ 0 0 61 -11,-0.3 4,-2.2 1,-0.3 3,-0.7 0.878 119.2 66.5 -51.2 -39.4 111.2 6.0 72.2 143 143 A E H 3> S+ 0 0 129 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.786 92.9 60.7 -58.3 -29.6 110.8 3.4 74.9 144 144 A F H <> S+ 0 0 109 -3,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.944 108.0 43.5 -63.2 -47.1 112.3 5.8 77.5 145 145 A F H S+ 0 0 33 -4,-0.3 4,-2.1 1,-0.2 -3,-0.1 0.838 87.1 59.5 -67.6 -33.3 101.5 11.0 89.1 157 157 A Y H > S+ 0 0 107 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.903 110.3 39.1 -63.6 -45.9 101.8 12.1 92.8 158 158 A A H >> S+ 0 0 55 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.850 110.9 62.0 -72.6 -32.6 104.5 9.6 93.6 159 159 A F H 3X S+ 0 0 35 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.907 96.7 58.6 -54.7 -44.4 106.1 10.2 90.2 160 160 A Y H 3X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.837 98.9 57.9 -61.2 -32.4 106.7 13.8 91.1 161 161 A T H S+ 0 0 73 -4,-1.7 5,-2.2 1,-0.2 6,-0.3 0.911 114.0 33.9 -63.5 -38.4 115.0 14.3 93.1 166 166 A D H <5S+ 0 0 77 -4,-1.5 63,-0.6 -3,-0.3 91,-0.5 0.775 113.3 61.3 -88.6 -21.9 116.7 14.2 89.7 167 167 A F H <5S+ 0 0 4 -4,-2.1 91,-3.1 1,-0.2 90,-0.5 0.918 121.6 22.7 -68.1 -36.0 115.4 17.7 88.6 168 168 A Y T <5S- 0 0 12 -4,-2.2 -1,-0.2 89,-0.2 -2,-0.2 0.319 102.3-122.2-107.3 -0.5 117.3 19.4 91.5 169 169 A N T >>5 - 0 0 0 -4,-0.3 4,-2.1 -3,-0.2 3,-1.5 0.973 38.4-176.4 49.9 59.7 120.0 16.7 92.2 170 170 A L H 3>X>S+ 0 0 11 -4,-2.1 3,-1.9 -5,-0.2 5,-1.7 0.700 76.7 112.9-112.2 -12.0 121.8 20.0 96.9 174 174 A L B 3<5S+j 178 0E 84 -4,-2.3 5,-0.2 1,-0.3 -5,-0.0 -0.372 92.4 14.0 -64.4 125.6 119.2 19.4 99.6 175 175 A G T 345S+ 0 0 67 3,-3.1 -1,-0.3 -2,-0.1 4,-0.1 0.233 131.8 48.2 98.1 -19.4 120.0 21.5 102.6 176 176 A T T <45S+ 0 0 112 -3,-1.9 -2,-0.2 2,-0.3 -1,-0.1 0.678 125.2 11.4-120.1 -63.4 122.5 23.7 100.8 177 177 A R T <5S+ 0 0 106 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.580 134.2 28.5 -97.6 -10.0 121.3 25.1 97.4 178 178 A I B - 0 0 47 -2,-0.3 4,-2.0 -5,-0.2 5,-0.2 -0.576 26.4-114.7 -89.6 162.7 115.6 23.6 101.0 180 180 A E H > S+ 0 0 129 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.882 117.7 55.9 -58.6 -38.5 113.0 20.9 101.8 181 181 A E H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 104.7 50.0 -68.8 -35.4 110.3 23.7 101.9 182 182 A A H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 111.1 50.1 -71.4 -31.1 111.2 24.9 98.3 183 183 A V H X S+ 0 0 24 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.917 108.1 53.4 -68.0 -39.4 110.9 21.3 97.1 184 184 A R H X S+ 0 0 138 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 106.8 52.4 -61.2 -42.9 107.5 21.0 98.9 185 185 A N H X S+ 0 0 82 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.894 108.4 50.4 -57.0 -43.3 106.3 24.1 97.0 186 186 A S H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.913 110.3 49.4 -65.9 -38.9 107.4 22.5 93.7 187 187 A W H X S+ 0 0 82 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 110.1 51.0 -64.4 -43.2 105.5 19.3 94.5 188 188 A N H X S+ 0 0 86 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.901 110.6 49.6 -59.4 -40.4 102.4 21.3 95.4 189 189 A T H X S+ 0 0 23 -4,-2.1 4,-0.6 2,-0.2 3,-0.4 0.937 111.4 48.2 -67.4 -43.2 102.6 23.2 92.1 190 190 A A H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.919 109.4 52.9 -61.4 -43.2 103.0 19.9 90.1 191 191 A A H 3< S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 103.3 58.5 -66.4 -21.9 100.1 18.3 91.9 192 192 A S H 3< S+ 0 0 60 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.586 88.8 95.5 -79.0 -15.7 97.8 21.3 91.0 193 193 A G S << S- 0 0 5 -3,-1.4 -132,-0.2 -4,-0.6 2,-0.1 -0.258 91.8 -81.4 -71.8 167.4 98.5 20.8 87.3 194 194 A G > - 0 0 2 -134,-2.6 4,-1.8 -129,-0.2 -1,-0.1 -0.361 27.4-135.2 -72.0 144.2 96.0 18.8 85.2 195 195 A F H > S+ 0 0 138 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.883 104.6 50.7 -65.2 -34.5 96.1 15.0 85.2 196 196 A F H >> S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.959 109.5 49.1 -75.1 -42.2 95.7 14.7 81.4 197 197 A A H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.833 104.5 60.7 -61.3 -35.6 98.5 17.2 80.7 198 198 A A H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.872 113.8 34.8 -60.7 -39.6 100.9 15.4 83.1 199 199 A A H << S+ 0 0 15 -4,-1.1 4,-0.3 -3,-0.7 -1,-0.2 0.692 120.7 49.3 -89.8 -18.7 100.6 12.2 81.0 200 200 A A H >< S+ 0 0 15 -4,-2.0 3,-1.2 1,-0.1 4,-0.4 0.786 96.2 68.7 -85.5 -33.4 100.4 13.9 77.6 201 201 A A G >X S+ 0 0 3 -4,-2.7 3,-2.5 1,-0.3 4,-0.6 0.891 90.2 60.9 -62.0 -37.9 103.3 16.3 77.9 202 202 A P G >4 S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.814 95.5 63.6 -56.1 -29.8 106.0 13.6 77.8 203 203 A T G <4 S+ 0 0 60 -3,-1.2 3,-0.3 -4,-0.3 -2,-0.2 0.631 100.1 54.0 -72.8 -6.0 104.8 12.6 74.3 204 204 A T G X4 S+ 0 0 6 -3,-2.5 3,-1.4 -4,-0.4 -1,-0.3 0.659 86.0 81.9 -97.3 -16.8 105.8 16.1 73.0 205 205 A W T << S+ 0 0 19 -3,-1.0 -76,-0.5 -4,-0.6 -1,-0.2 0.665 84.2 59.0 -71.8 -13.3 109.4 16.0 74.3 206 206 A Y T 3 S+ 0 0 61 -4,-0.3 -1,-0.3 -3,-0.3 -76,-0.2 0.037 74.7 133.6-100.0 27.7 110.7 13.9 71.3 207 207 A T < - 0 0 36 -3,-1.4 2,-0.7 1,-0.1 -78,-0.5 -0.459 60.1-120.5 -70.0 144.6 109.6 16.6 68.7 208 208 A D + 0 0 62 -80,-0.1 3,-0.2 1,-0.1 -80,-0.2 -0.772 34.2 173.0 -94.5 119.9 112.3 17.4 66.2 209 209 A F >> + 0 0 0 -82,-2.4 4,-1.8 -2,-0.7 3,-0.9 0.325 46.1 109.6-106.5 15.2 113.3 21.0 66.2 210 210 A R T 34 S+ 0 0 82 -83,-0.3 -1,-0.2 1,-0.3 -82,-0.1 0.790 81.4 46.5 -64.9 -33.2 116.2 20.7 63.7 211 211 A A T 34 S+ 0 0 77 -3,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.582 109.9 55.3 -79.8 -15.8 114.4 22.5 61.0 212 212 A D T X4 S+ 0 0 11 -3,-0.9 3,-1.5 -85,-0.2 4,-0.3 0.878 93.1 68.7 -80.8 -34.4 113.3 25.3 63.3 213 213 A I G >< S+ 0 0 3 -4,-1.8 3,-2.1 1,-0.3 -2,-0.1 0.900 92.8 56.1 -57.5 -41.2 116.7 26.3 64.6 214 214 A P G 3 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.676 97.7 66.5 -71.0 -5.9 118.1 27.8 61.4 215 215 A R G < S+ 0 0 155 -3,-1.5 2,-0.7 -4,-0.2 -2,-0.2 0.556 71.9 107.5 -85.5 -2.9 115.1 30.1 61.3 216 216 A I < + 0 0 15 -3,-2.1 4,-0.1 -4,-0.3 -111,-0.0 -0.687 38.0 164.9 -76.8 112.7 116.3 31.9 64.5 217 217 A D + 0 0 114 -2,-0.7 -1,-0.1 2,-0.1 -2,-0.0 -0.056 47.5 75.0-123.6 25.9 117.5 35.3 63.1 218 218 A V S S- 0 0 26 1,-0.0 -100,-0.2 -99,-0.0 -99,-0.1 -0.884 97.3 -71.3-126.9 165.1 117.8 37.3 66.3 219 219 A P - 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