==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHALOGENASE 13-MAY-93 1EDB . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR K.H.G.VERSCHUEREN,B.W.DIJKSTRA . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 0.0 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 0 2 0 2 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 207 0, 0.0 2,-0.6 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -49.1 11.0 89.7 45.9 2 2 A I - 0 0 61 30,-0.4 2,-0.5 90,-0.0 29,-0.0 -0.925 360.0-127.4 -98.4 116.5 12.8 91.9 43.4 3 3 A N + 0 0 107 -2,-0.6 89,-2.6 88,-0.0 90,-0.5 -0.596 46.4 158.6 -71.7 117.5 10.0 93.0 41.0 4 4 A A E -A 91 0A 27 -2,-0.5 2,-0.3 87,-0.3 85,-0.1 -0.899 28.9-147.7-135.7 164.2 11.4 92.1 37.5 5 5 A I E -A 90 0A 49 85,-1.8 85,-2.9 -2,-0.3 2,-0.4 -0.876 12.4-135.6-128.7 164.5 10.1 91.5 34.1 6 6 A R - 0 0 114 -2,-0.3 83,-0.1 83,-0.2 81,-0.1 -0.973 20.1-117.3-125.3 137.2 11.3 89.3 31.2 7 7 A T - 0 0 10 -2,-0.4 203,-0.1 81,-0.4 201,-0.0 -0.477 41.6-104.1 -67.6 134.4 11.6 90.1 27.5 8 8 A P > - 0 0 65 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.317 24.0-126.8 -58.4 137.6 9.3 87.9 25.4 9 9 A D G > S+ 0 0 105 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.850 104.9 69.6 -55.6 -36.5 11.4 85.2 23.6 10 10 A Q G > S+ 0 0 158 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.713 82.7 72.9 -58.2 -19.0 9.9 86.2 20.2 11 11 A R G < S+ 0 0 100 -3,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.733 99.5 46.3 -68.9 -19.8 11.8 89.6 20.3 12 12 A F G X S+ 0 0 16 -3,-2.0 3,-0.8 -4,-0.3 -1,-0.3 0.176 82.2 101.0-105.7 15.7 15.0 87.7 19.6 13 13 A S T < S+ 0 0 79 -3,-1.4 -1,-0.1 1,-0.2 -2,-0.1 0.902 85.8 41.1 -61.1 -49.5 13.7 85.5 16.7 14 14 A N T 3 S+ 0 0 153 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.088 79.8 151.8 -90.9 17.5 15.2 87.6 13.9 15 15 A L < - 0 0 35 -3,-0.8 2,-0.5 3,-0.1 3,-0.5 -0.179 41.2-127.1 -58.6 139.4 18.6 88.4 15.3 16 16 A D S S- 0 0 61 185,-0.3 -1,-0.1 1,-0.2 189,-0.0 -0.775 80.2 -12.0 -96.2 122.2 21.5 89.0 12.9 17 17 A Q S S+ 0 0 140 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.0 0.840 98.9 115.8 61.4 37.5 24.7 87.0 13.3 18 18 A Y + 0 0 20 -3,-0.5 -3,-0.1 1,-0.1 -1,-0.1 -0.619 21.1 151.4-135.9 78.4 23.8 85.7 16.7 19 19 A P + 0 0 108 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.062 32.8 127.6 -92.5 21.1 23.5 81.9 16.5 20 20 A F - 0 0 19 1,-0.1 21,-0.1 21,-0.0 44,-0.0 -0.726 58.9-122.2 -88.9 135.6 24.6 81.2 20.0 21 21 A S - 0 0 80 -2,-0.4 19,-0.4 19,-0.1 2,-0.1 -0.402 27.7-109.9 -73.8 144.4 22.4 79.1 22.2 22 22 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.462 28.3-173.2 -77.1 147.9 21.0 80.4 25.4 23 23 A N E -B 38 0B 48 15,-0.8 15,-2.0 -2,-0.1 2,-0.3 -0.975 13.7-168.1-133.9 135.5 22.1 79.2 28.9 24 24 A Y E -B 37 0B 68 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.932 16.2-166.9-132.9 161.0 20.2 80.5 31.9 25 25 A L E +B 36 0B 6 11,-1.5 11,-2.6 -2,-0.3 3,-0.1 -0.990 15.2 164.3-140.2 127.5 20.6 80.5 35.7 26 26 A D + 0 0 91 -2,-0.3 7,-0.9 9,-0.2 8,-0.1 0.158 67.4 72.8-130.5 16.9 17.9 81.4 38.1 27 27 A D + 0 0 89 5,-0.1 -1,-0.1 6,-0.1 8,-0.1 -0.121 58.9 143.1-123.5 35.2 19.4 80.0 41.3 28 28 A L > - 0 0 4 3,-0.5 3,-1.8 6,-0.4 2,-0.4 -0.652 59.0-107.9 -82.0 136.4 22.2 82.5 42.1 29 29 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.466 106.7 17.5 -65.4 118.1 22.7 83.3 45.7 30 30 A G T 3 S+ 0 0 67 -2,-0.4 75,-0.1 78,-0.0 74,-0.0 0.141 113.9 75.5 105.3 -17.1 21.4 86.8 46.4 31 31 A Y X - 0 0 15 -3,-1.8 3,-1.3 3,-0.1 -3,-0.5 -0.546 69.3-171.9-123.1 62.4 19.3 87.0 43.2 32 32 A P T 3 - 0 0 68 0, 0.0 -30,-0.4 0, 0.0 -5,-0.1 -0.368 68.8 -1.1 -65.3 123.0 16.2 84.9 44.0 33 33 A G T 3 S+ 0 0 61 -7,-0.9 2,-0.5 -2,-0.3 -6,-0.1 0.498 99.9 124.5 81.7 -0.3 13.8 84.1 41.2 34 34 A L < - 0 0 6 -3,-1.3 2,-0.5 -6,-0.2 -6,-0.4 -0.863 52.1-146.2 -99.4 127.1 15.9 86.2 38.7 35 35 A R - 0 0 46 -2,-0.5 54,-2.8 -3,-0.1 2,-0.4 -0.806 10.9-163.3 -97.3 121.6 17.0 84.5 35.6 36 36 A A E -B 25 0B 0 -11,-2.6 -11,-1.5 -2,-0.5 2,-0.3 -0.871 7.8-147.5-102.8 135.4 20.4 85.5 34.1 37 37 A H E +B 24 0B 0 44,-0.4 44,-2.5 -2,-0.4 2,-0.3 -0.765 23.1 166.4-101.8 145.5 21.3 84.7 30.5 38 38 A Y E -BC 23 80B 23 -15,-2.0 -15,-0.8 -2,-0.3 2,-0.3 -0.990 31.3-126.4-153.3 150.2 24.8 83.9 29.4 39 39 A L E - C 0 79B 1 40,-1.9 40,-1.7 -2,-0.3 2,-0.4 -0.734 17.5-169.7 -97.3 150.9 26.6 82.4 26.4 40 40 A D E + C 0 78B 35 -19,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.837 20.0 172.1-146.6 96.3 29.0 79.5 26.9 41 41 A E E + C 0 77B 53 36,-2.2 36,-3.2 -2,-0.4 2,-0.1 -0.771 34.3 17.9-115.6 151.1 30.8 78.8 23.7 42 42 A G S S- 0 0 39 -2,-0.3 2,-0.6 34,-0.2 34,-0.2 -0.241 109.6 -8.8 84.2-171.6 33.7 76.6 22.7 43 43 A N > - 0 0 90 32,-0.4 3,-2.4 28,-0.3 -2,-0.1 -0.482 55.8-154.9 -64.1 108.2 35.1 73.7 24.5 44 44 A S T 3 S+ 0 0 67 -2,-0.6 -1,-0.2 1,-0.3 32,-0.1 0.570 95.6 51.5 -58.0 -16.5 33.5 73.5 27.9 45 45 A D T 3 S+ 0 0 144 30,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.168 82.9 135.4-105.6 8.2 36.5 71.6 29.2 46 46 A A < - 0 0 16 -3,-2.4 29,-0.1 1,-0.1 28,-0.0 -0.194 57.8-136.7 -60.2 151.4 39.0 74.2 28.0 47 47 A E S S+ 0 0 149 27,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.920 89.2 61.1 -73.7 -46.8 41.7 75.3 30.2 48 48 A D - 0 0 34 26,-0.3 28,-2.5 70,-0.1 2,-0.4 -0.704 66.2-165.3 -88.9 131.3 41.3 79.0 29.2 49 49 A V E -de 76 118B 5 68,-1.3 70,-2.6 -2,-0.4 2,-0.7 -0.965 8.1-154.3-115.4 126.7 38.0 80.8 29.9 50 50 A F E -de 77 119B 0 26,-2.6 28,-2.9 -2,-0.4 2,-0.8 -0.938 10.2-160.4-100.8 112.1 37.4 84.2 28.1 51 51 A L E -de 78 120B 0 68,-2.1 70,-2.3 -2,-0.7 2,-0.7 -0.877 8.2-162.1 -98.3 102.9 35.0 86.2 30.3 52 52 A C E - e 0 121B 1 26,-2.7 2,-0.4 -2,-0.8 70,-0.2 -0.802 4.8-167.3 -92.8 105.9 33.4 88.8 28.0 53 53 A L - 0 0 1 68,-2.6 70,-0.3 -2,-0.7 73,-0.2 -0.804 3.2-158.2-101.2 125.9 31.7 91.7 29.9 54 54 A H - 0 0 1 -2,-0.4 2,-0.1 26,-0.4 69,-0.1 -0.374 6.7-157.6 -92.8 174.0 29.4 94.2 28.1 55 55 A G > + 0 0 0 70,-0.2 3,-1.6 4,-0.2 69,-0.1 -0.395 38.7 0.6-129.9-150.2 28.5 97.7 29.1 56 56 A E T 3 S- 0 0 0 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.680 120.4 -9.1 -83.8 139.3 25.8 100.4 28.6 57 57 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 134,-0.1 -0.437 116.5 84.1-111.1 58.2 23.3 100.1 26.9 58 58 A T < - 0 0 1 -3,-1.6 2,-0.2 27,-0.1 28,-0.2 -0.095 50.9-150.2-106.0-156.6 24.4 96.8 25.3 59 59 A W > - 0 0 2 26,-0.1 3,-2.0 -3,-0.1 -4,-0.2 -0.826 53.1 -66.1-162.2 179.6 24.3 93.0 25.8 60 60 A S G > S+ 0 0 1 1,-0.3 3,-2.4 -2,-0.2 4,-0.2 0.701 118.0 81.6 -52.6 -24.9 26.4 89.8 24.8 61 61 A Y G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.812 79.7 70.3 -53.5 -23.6 25.4 90.6 21.2 62 62 A L G < S+ 0 0 1 -3,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.767 96.1 47.6 -66.5 -25.4 28.2 93.1 21.3 63 63 A Y G X> S+ 0 0 0 -3,-2.4 4,-2.3 1,-0.2 3,-1.5 0.297 75.1 116.4 -98.4 10.5 30.9 90.4 21.4 64 64 A R T <4 S+ 0 0 10 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.691 77.9 47.1 -55.6 -18.6 29.4 88.5 18.5 65 65 A K T 34 S+ 0 0 74 -3,-0.3 4,-0.3 227,-0.2 -1,-0.3 0.687 115.4 43.5 -97.9 -15.9 32.4 89.1 16.3 66 66 A M T <> S+ 0 0 0 -3,-1.5 4,-2.1 2,-0.1 3,-0.2 0.774 98.3 72.3 -96.4 -32.1 35.0 88.2 18.9 67 67 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.900 97.3 47.4 -50.5 -55.6 33.3 85.0 20.3 68 68 A P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.858 111.0 53.0 -61.9 -32.2 34.0 82.8 17.3 69 69 A V H > S+ 0 0 9 -4,-0.3 4,-0.8 -3,-0.2 -2,-0.2 0.944 112.6 42.5 -69.1 -43.0 37.6 83.9 17.2 70 70 A F H <>S+ 0 0 0 -4,-2.1 5,-1.4 2,-0.2 3,-0.3 0.899 115.3 50.8 -69.5 -36.0 38.3 83.1 20.8 71 71 A A H ><5S+ 0 0 19 -4,-2.6 3,-2.3 1,-0.2 -28,-0.3 0.927 106.2 54.6 -64.5 -45.0 36.4 79.8 20.6 72 72 A E H 3<5S+ 0 0 172 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.715 98.5 64.2 -60.9 -22.5 38.3 78.7 17.5 73 73 A S T 3<5S- 0 0 62 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.566 126.2 -98.1 -80.8 -6.9 41.5 79.2 19.4 74 74 A G T < 5S+ 0 0 45 -3,-2.3 -27,-0.3 1,-0.3 -26,-0.3 0.540 82.5 127.5 103.3 6.0 40.5 76.4 21.8 75 75 A A < - 0 0 0 -5,-1.4 -32,-0.4 -29,-0.1 -1,-0.3 -0.636 59.8-124.4 -98.2 157.3 39.1 78.5 24.6 76 76 A R E - d 0 49B 37 -28,-2.5 -26,-2.6 -2,-0.2 2,-0.5 -0.727 30.3-152.8 -90.1 142.6 35.7 78.4 26.4 77 77 A V E -Cd 41 50B 2 -36,-3.2 -36,-2.2 -2,-0.3 2,-0.5 -0.984 10.1-166.5-125.7 128.0 34.0 81.8 26.2 78 78 A I E +Cd 40 51B 0 -28,-2.9 -26,-2.7 -2,-0.5 -38,-0.2 -0.964 9.8 173.8-111.9 129.6 31.5 83.1 28.7 79 79 A A E -C 39 0B 0 -40,-1.7 -40,-1.9 -2,-0.5 -19,-0.2 -0.793 11.4-171.5-140.0 90.5 29.4 86.2 27.9 80 80 A P E -C 38 0B 4 0, 0.0 2,-0.5 0, 0.0 -26,-0.4 -0.451 19.7-133.3 -83.1 155.3 26.7 87.0 30.4 81 81 A D - 0 0 0 -44,-2.5 -44,-0.4 -2,-0.1 3,-0.1 -0.937 28.1-122.7-105.9 129.7 24.0 89.6 30.1 82 82 A F > - 0 0 4 -2,-0.5 3,-2.0 1,-0.1 6,-0.3 -0.367 38.7 -89.4 -65.5 152.1 23.6 91.9 33.2 83 83 A F T 3 S+ 0 0 0 1,-0.3 7,-0.2 4,-0.1 -1,-0.1 -0.405 121.7 37.6 -63.1 142.6 20.2 91.9 34.8 84 84 A G T 3 S+ 0 0 0 5,-2.0 2,-0.3 1,-0.2 135,-0.3 0.255 113.2 72.4 95.5 -4.1 18.3 94.7 33.1 85 85 A F S X S- 0 0 0 -3,-2.0 3,-1.7 4,-0.3 -1,-0.2 -0.924 90.6 -12.2-136.9 164.1 19.9 93.8 29.6 86 86 A G T 3 S- 0 0 0 -2,-0.3 -79,-0.2 1,-0.2 -2,-0.0 -0.284 119.8 -24.3 53.1-132.2 19.8 91.3 26.8 87 87 A K T 3 S+ 0 0 24 -81,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.259 110.4 102.9 -96.3 4.8 18.0 88.1 27.7 88 88 A S S < S- 0 0 0 -3,-1.7 -81,-0.4 -6,-0.3 -52,-0.2 -0.462 84.7 -84.8 -83.9 165.2 18.4 88.3 31.4 89 89 A D - 0 0 7 -54,-2.8 -5,-2.0 -83,-0.1 -4,-0.3 -0.300 40.4-137.8 -66.8 154.5 15.5 89.4 33.7 90 90 A K E -A 5 0A 1 -85,-2.9 -85,-1.8 -7,-0.2 127,-0.1 -0.908 4.6-138.9-124.8 101.1 15.0 93.2 34.2 91 91 A P E -A 4 0A 1 0, 0.0 -87,-0.3 0, 0.0 127,-0.3 -0.230 16.0-142.9 -52.9 137.7 14.2 94.7 37.6 92 92 A V S S+ 0 0 37 -89,-2.6 2,-0.5 125,-0.1 -88,-0.1 0.677 74.6 74.5 -84.9 -15.4 11.6 97.3 37.1 93 93 A D > - 0 0 86 -90,-0.5 3,-1.9 1,-0.1 4,-0.5 -0.846 67.7-146.5-105.6 129.0 12.8 99.9 39.6 94 94 A E G > S+ 0 0 48 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.828 98.7 65.6 -56.3 -36.9 15.9 102.1 39.0 95 95 A E G 3 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.676 89.4 67.1 -58.0 -21.5 16.7 102.0 42.7 96 96 A D G < S+ 0 0 39 -3,-1.9 2,-0.6 2,-0.0 -1,-0.2 0.685 88.0 80.8 -69.9 -26.3 17.3 98.1 42.5 97 97 A Y < + 0 0 0 -3,-1.3 2,-0.3 -4,-0.5 3,-0.1 -0.722 56.1 146.1 -95.2 123.9 20.4 98.8 40.4 98 98 A T > - 0 0 49 -2,-0.6 4,-1.8 1,-0.1 5,-0.3 -0.880 61.1 -97.2-141.9 168.0 23.6 99.8 42.1 99 99 A F H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.950 124.0 44.9 -59.7 -47.6 27.3 99.2 41.6 100 100 A E H > S+ 0 0 79 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.818 105.7 61.9 -63.2 -35.6 27.4 96.3 44.1 101 101 A F H > S+ 0 0 26 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.933 113.5 36.0 -55.3 -47.8 24.2 94.7 42.7 102 102 A H H X S+ 0 0 2 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.866 118.3 50.5 -78.0 -37.0 26.0 94.3 39.4 103 103 A R H X S+ 0 0 24 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.926 109.3 49.7 -68.1 -37.8 29.4 93.5 40.9 104 104 A N H X S+ 0 0 67 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.750 103.8 60.8 -70.7 -25.1 28.1 90.8 43.2 105 105 A F H X S+ 0 0 1 -4,-1.1 4,-2.1 -5,-0.2 -1,-0.2 0.872 106.1 48.4 -66.4 -36.2 26.2 89.1 40.4 106 106 A L H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.865 109.9 48.6 -70.4 -41.0 29.5 88.6 38.6 107 107 A L H X S+ 0 0 35 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.892 113.9 49.7 -67.5 -37.8 31.3 87.2 41.6 108 108 A A H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.875 111.7 47.5 -64.1 -44.7 28.2 84.9 42.1 109 109 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.879 111.2 51.2 -64.2 -45.8 28.3 83.8 38.4 110 110 A I H <>S+ 0 0 6 -4,-2.2 5,-1.8 2,-0.2 4,-0.4 0.895 114.6 41.9 -63.6 -36.9 32.0 83.2 38.6 111 111 A E H ><5S+ 0 0 126 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.932 112.9 54.1 -73.6 -48.2 31.6 81.0 41.7 112 112 A R H 3<5S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.889 117.3 36.5 -53.2 -47.3 28.5 79.2 40.4 113 113 A L T 3<5S- 0 0 27 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.569 103.6-132.6 -87.2 -4.7 30.3 78.2 37.2 114 114 A D T < 5 - 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0 0 13 -3,-2.0 2,-0.1 -7,-0.2 -3,-0.0 -0.283 64.7-127.4 -60.1 148.4 26.2 99.4 12.4 199 199 A T > - 0 0 70 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.384 29.9-101.6 -89.6 175.9 23.8 98.1 9.8 200 200 A E H > S+ 0 0 150 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.878 124.6 52.3 -58.8 -43.4 20.1 98.5 10.3 201 201 A A H > S+ 0 0 42 2,-0.2 4,-1.4 1,-0.2 -185,-0.3 0.909 108.3 48.2 -60.3 -50.8 19.9 94.9 11.3 202 202 A E H > S+ 0 0 22 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.894 111.4 52.3 -60.6 -37.8 22.7 95.2 13.9 203 203 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.881 105.1 54.9 -64.2 -37.6 21.0 98.3 15.3 204 204 A S H >X S+ 0 0 66 -4,-1.8 4,-1.3 1,-0.2 3,-0.8 0.829 98.0 61.9 -65.7 -31.6 17.8 96.5 15.7 205 205 A A H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.792 100.4 57.2 -66.1 -27.2 19.5 93.7 17.8 206 206 A Y H 3< S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.690 109.9 41.7 -79.4 -15.5 20.3 96.4 20.4 207 207 A A H X< S+ 0 0 18 -3,-0.8 3,-1.9 -4,-0.6 -2,-0.2 0.641 91.8 93.4 -98.9 -19.7 16.6 97.4 20.8 208 208 A A T 3< S+ 0 0 6 -4,-1.3 -2,-0.1 1,-0.3 -3,-0.1 0.827 79.8 54.1 -40.7 -46.1 15.5 93.8 20.8 209 209 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.710 103.0 61.0 -70.3 -16.7 15.6 93.4 24.5 210 210 A F < + 0 0 11 -3,-1.9 -23,-0.2 1,-0.2 3,-0.0 -0.743 49.0 172.7-119.5 90.6 13.3 96.4 25.3 211 211 A P S S- 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.823 77.0 -10.8 -59.8 -36.1 9.7 96.4 23.9 212 212 A D S > S- 0 0 81 -28,-0.0 3,-1.8 -26,-0.0 4,-0.2 -0.927 87.1 -79.2-154.1 176.7 8.8 99.5 25.8 213 213 A T G > S+ 0 0 59 -2,-0.3 3,-1.3 1,-0.3 4,-0.1 0.680 113.8 73.1 -59.7 -21.7 10.1 101.8 28.5 214 214 A S G 3 S+ 0 0 58 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.750 96.1 53.6 -66.6 -20.1 9.1 99.6 31.4 215 215 A Y G < S+ 0 0 37 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.494 96.3 73.1 -89.4 -7.1 12.0 97.2 30.4 216 216 A Q <> + 0 0 7 -3,-1.3 4,-2.2 -4,-0.2 5,-0.2 0.235 51.7 110.9 -96.8 14.7 14.6 100.0 30.5 217 217 A A H > S+ 0 0 0 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.859 84.3 47.3 -57.1 -42.2 15.2 100.8 34.2 218 218 A G H > S+ 0 0 1 -3,-0.3 4,-1.4 -127,-0.3 -1,-0.2 0.816 110.1 53.5 -68.8 -32.7 18.8 99.4 34.1 219 219 A V H 4 S+ 0 0 0 -135,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.0 47.9 -67.7 -41.0 19.5 101.2 30.9 220 220 A R H X S+ 0 0 54 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.873 111.0 52.0 -67.6 -38.2 18.4 104.5 32.6 221 221 A K H X S+ 0 0 40 -4,-1.6 4,-1.8 -5,-0.2 3,-0.2 0.842 91.0 71.1 -75.5 -28.7 20.5 103.9 35.7 222 222 A F H X S+ 0 0 0 -4,-1.4 4,-0.8 1,-0.2 3,-0.2 0.941 99.6 45.5 -57.8 -49.7 23.9 103.2 34.4 223 223 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.855 109.0 56.9 -63.3 -33.0 24.8 106.7 33.2 224 224 A K H X S+ 0 0 50 -4,-0.7 4,-3.1 1,-0.2 -2,-0.2 0.861 104.2 54.4 -63.0 -36.8 23.5 108.2 36.5 225 225 A M H < S+ 0 0 16 -4,-1.8 -1,-0.2 2,-0.2 -3,-0.1 0.701 104.1 53.3 -73.2 -18.6 26.0 106.0 38.3 226 226 A V H < S+ 0 0 4 -4,-0.8 3,-0.3 -3,-0.4 -1,-0.2 0.889 116.1 40.9 -80.2 -32.6 28.9 107.3 36.3 227 227 A A H < S+ 0 0 42 -4,-1.3 2,-0.6 1,-0.2 -2,-0.2 0.854 124.2 35.5 -78.2 -43.2 27.7 110.8 37.3 228 228 A Q S < S- 0 0 138 -4,-3.1 2,-0.4 -5,-0.1 -1,-0.2 -0.855 76.6-167.6-120.5 93.5 26.9 110.1 41.0 229 229 A R - 0 0 38 -2,-0.6 -3,-0.1 -3,-0.3 2,-0.1 -0.705 14.0-141.2 -83.4 125.2 29.4 107.5 42.4 230 230 A D > - 0 0 74 -2,-0.4 4,-1.6 -5,-0.1 5,-0.1 -0.268 28.0-100.5 -80.1 173.0 28.2 106.0 45.8 231 231 A Q H > S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 118.8 53.6 -66.4 -37.6 30.7 105.4 48.5 232 232 A A H > S+ 0 0 29 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.940 108.9 51.7 -60.8 -48.5 31.1 101.6 48.0 233 233 A C H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.899 112.6 45.6 -50.9 -48.1 31.9 102.2 44.3 234 234 A I H X S+ 0 0 25 -4,-1.6 4,-1.7 2,-0.2 -80,-0.3 0.948 115.1 45.0 -63.6 -51.3 34.6 104.7 45.2 235 235 A D H X S+ 0 0 90 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.947 116.9 46.0 -61.9 -47.0 36.2 102.6 47.9 236 236 A I H X S+ 0 0 20 -4,-3.5 4,-1.9 -5,-0.2 -2,-0.2 0.956 115.0 46.0 -63.3 -46.0 36.1 99.5 45.8 237 237 A S H X S+ 0 0 0 -4,-3.0 4,-1.2 -5,-0.3 -1,-0.2 0.840 111.4 53.6 -68.0 -26.1 37.4 101.2 42.6 238 238 A T H X S+ 0 0 48 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.920 108.7 47.8 -74.6 -38.4 40.1 102.9 44.6 239 239 A E H X S+ 0 0 122 -4,-2.2 4,-1.3 1,-0.2 3,-0.3 0.844 104.9 61.6 -70.1 -30.3 41.3 99.6 46.1 240 240 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.4 0.909 95.2 61.9 -63.0 -35.9 41.3 98.1 42.6 241 241 A I H X S+ 0 0 12 -4,-1.2 4,-2.3 1,-0.3 -1,-0.2 0.948 102.4 49.8 -57.2 -39.9 43.9 100.6 41.5 242 242 A S H X>S+ 0 0 57 -4,-0.9 4,-2.1 -3,-0.3 5,-0.7 0.867 108.9 53.6 -64.3 -36.9 46.3 99.3 44.0 243 243 A F H X>S+ 0 0 13 -4,-1.3 5,-2.6 -3,-0.2 4,-1.7 0.963 111.4 43.5 -62.2 -51.5 45.7 95.7 42.7 244 244 A W H <5S+ 0 0 1 -4,-2.4 32,-2.5 1,-0.2 -2,-0.2 0.880 118.0 45.7 -61.8 -40.6 46.5 96.6 39.1 245 245 A Q H <5S+ 0 0 97 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.903 132.9 9.0 -74.5 -39.2 49.5 98.6 40.0 246 246 A N H <5S+ 0 0 101 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.729 129.8 40.6-113.1 -33.8 51.2 96.3 42.6 247 247 A D T < - 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