==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHALOGENASE 08-SEP-93 2DHC . 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) . 12714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 69.0 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 0 1 1 1 1 0 0 1 1 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 0 204 0, 0.0 2,-0.5 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 -53.3 12.0 90.6 46.7 2 2 A I - 0 0 54 30,-0.3 2,-0.3 94,-0.0 0, 0.0 -0.848 360.0-129.2 -90.2 116.7 13.0 92.7 43.7 3 3 A N + 0 0 109 -2,-0.5 89,-1.7 88,-0.0 90,-0.4 -0.529 42.5 174.0 -67.2 129.2 9.9 92.9 41.4 4 4 A A E -A 91 0A 32 -2,-0.3 2,-0.3 87,-0.3 211,-0.0 -0.964 21.8-151.0-140.0 162.2 11.4 91.9 37.9 5 5 A I E -A 90 0A 51 85,-2.0 85,-3.3 -2,-0.3 2,-0.4 -0.895 8.5-139.4-130.9 164.0 10.2 91.1 34.4 6 6 A R - 0 0 116 -2,-0.3 83,-0.1 83,-0.2 3,-0.1 -0.958 22.3-114.3-128.3 140.5 11.4 89.0 31.5 7 7 A T - 0 0 7 -2,-0.4 203,-0.1 81,-0.3 201,-0.0 -0.600 38.9-102.1 -78.4 127.1 11.4 89.7 27.8 8 8 A P > - 0 0 71 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.151 27.5-130.8 -47.1 133.6 9.2 87.7 25.5 9 9 A D G > S+ 0 0 91 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.752 104.5 69.0 -63.0 -27.4 11.4 85.1 23.8 10 10 A Q G > S+ 0 0 156 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.686 80.0 78.7 -65.8 -17.5 9.9 86.0 20.4 11 11 A R G < S+ 0 0 97 -3,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.763 98.5 44.9 -60.3 -21.7 11.8 89.4 20.7 12 12 A F G X S+ 0 0 15 -3,-1.5 3,-0.8 -4,-0.2 -1,-0.3 0.230 78.7 102.3-109.9 14.2 14.9 87.4 19.7 13 13 A S T < S+ 0 0 86 -3,-1.6 -1,-0.1 1,-0.2 -2,-0.1 0.891 86.3 43.2 -63.3 -40.5 13.7 85.3 16.7 14 14 A N T 3 S+ 0 0 135 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.265 75.4 146.7 -97.5 13.1 15.2 87.5 14.1 15 15 A L < - 0 0 37 -3,-0.8 2,-0.4 3,-0.1 3,-0.2 -0.160 41.4-137.3 -49.5 143.5 18.6 88.2 15.5 16 16 A D S S+ 0 0 64 185,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.907 81.2 1.2-105.8 128.2 21.4 88.6 12.8 17 17 A Q S S+ 0 0 146 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.690 98.2 112.2 64.5 25.5 24.7 86.9 13.6 18 18 A Y + 0 0 20 -3,-0.2 -1,-0.1 1,-0.1 -3,-0.1 -0.564 22.9 149.7-123.4 69.0 23.6 85.5 16.9 19 19 A P + 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.342 34.2 126.9 -84.5 18.3 23.6 81.7 16.5 20 20 A F - 0 0 18 1,-0.1 21,-0.1 -3,-0.0 44,-0.0 -0.679 57.7-128.1 -85.9 139.4 24.4 81.1 20.1 21 21 A S - 0 0 83 -2,-0.3 19,-0.4 19,-0.2 2,-0.3 -0.469 29.4-112.6 -80.9 139.6 22.3 78.8 22.3 22 22 A P - 0 0 60 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.676 27.1-171.9 -88.2 143.0 21.2 80.1 25.6 23 23 A N E -B 38 0B 51 15,-1.5 15,-1.3 -2,-0.3 2,-0.3 -0.810 10.0-163.9-117.5 149.7 22.1 79.0 29.1 24 24 A Y E -B 37 0B 67 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.994 16.1-168.9-138.3 148.3 20.5 80.2 32.4 25 25 A L E +B 36 0B 3 11,-1.7 11,-2.2 -2,-0.3 3,-0.1 -0.991 12.0 170.5-126.7 133.7 21.2 80.2 36.1 26 26 A D + 0 0 84 -2,-0.4 7,-0.5 9,-0.2 8,-0.1 0.275 63.0 66.1-132.7 18.7 18.4 81.2 38.3 27 27 A D + 0 0 83 5,-0.1 -1,-0.1 6,-0.1 8,-0.1 0.038 56.8 151.5-125.5 32.7 19.5 80.4 41.7 28 28 A L - 0 0 5 3,-0.4 2,-0.5 6,-0.4 3,-0.2 -0.302 55.3-104.4 -62.2 155.8 22.4 82.8 42.4 29 29 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 -0.757 109.1 17.5 -84.1 124.7 22.7 83.6 46.1 30 30 A G S S+ 0 0 71 -2,-0.5 -2,-0.1 -3,-0.0 75,-0.1 -0.036 114.0 84.3 103.1 -24.7 21.4 87.1 47.0 31 31 A Y > + 0 0 13 -3,-0.2 3,-1.0 3,-0.1 -3,-0.4 -0.376 65.1 177.2-108.2 51.9 19.7 86.9 43.6 32 32 A P T 3 + 0 0 76 0, 0.0 -30,-0.3 0, 0.0 -5,-0.1 -0.281 65.4 3.4 -66.1 134.3 16.4 85.0 44.4 33 33 A G T 3 S+ 0 0 71 -7,-0.5 2,-0.4 1,-0.2 -6,-0.1 0.268 100.8 123.2 79.0 -8.9 13.8 84.4 41.8 34 34 A L < - 0 0 6 -3,-1.0 2,-0.5 -6,-0.2 -6,-0.4 -0.685 48.6-154.3 -88.7 129.5 16.0 86.1 39.1 35 35 A R - 0 0 33 -2,-0.4 54,-2.2 -3,-0.1 2,-0.3 -0.860 9.7-165.4-105.4 132.6 17.1 84.3 35.9 36 36 A A E -B 25 0B 1 -11,-2.2 -11,-1.7 -2,-0.5 2,-0.3 -0.868 7.8-145.4-113.7 148.9 20.3 85.3 34.2 37 37 A H E +B 24 0B 1 44,-0.4 44,-2.3 -2,-0.3 2,-0.3 -0.796 22.3 168.1-115.4 148.9 21.4 84.3 30.6 38 38 A Y E -BC 23 80B 22 -15,-1.3 -15,-1.5 -2,-0.3 2,-0.3 -0.960 31.6-121.7-160.0 146.5 24.9 83.6 29.5 39 39 A L E - C 0 79B 0 40,-1.4 40,-1.2 -2,-0.3 2,-0.4 -0.736 20.1-171.9 -91.4 144.7 26.7 82.2 26.6 40 40 A D E + C 0 78B 29 -19,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.923 21.6 169.8-135.9 102.7 28.9 79.2 27.1 41 41 A E E + C 0 77B 54 36,-2.2 36,-2.8 -2,-0.4 2,-0.0 -0.871 31.2 16.5-125.5 160.4 30.8 78.5 23.9 42 42 A G S S- 0 0 38 -2,-0.3 2,-0.6 34,-0.2 34,-0.2 -0.215 110.9 -7.6 79.8-173.6 33.6 76.4 22.7 43 43 A N > - 0 0 95 32,-0.4 3,-2.5 28,-0.2 -2,-0.1 -0.378 60.7-150.4 -59.8 104.4 35.1 73.3 24.5 44 44 A S T 3 S+ 0 0 71 -2,-0.6 -1,-0.2 1,-0.3 32,-0.1 0.266 95.3 49.2 -67.3 18.8 33.4 73.3 27.9 45 45 A D T 3 S+ 0 0 142 3,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.227 79.6 134.5-137.0 6.4 36.6 71.7 29.3 46 46 A A < - 0 0 18 -3,-2.5 29,-0.1 2,-0.1 28,-0.0 -0.140 60.8-126.3 -61.1 156.0 39.3 74.0 27.9 47 47 A E S S+ 0 0 140 27,-0.3 69,-0.2 1,-0.0 2,-0.2 0.998 92.7 55.7 -60.9 -61.3 42.0 75.1 30.1 48 48 A D - 0 0 35 26,-0.2 28,-2.1 70,-0.0 2,-0.4 -0.496 65.1-164.9 -78.2 134.5 41.4 78.8 29.3 49 49 A V E -de 76 118B 6 68,-1.7 70,-2.4 67,-0.3 2,-0.8 -0.981 10.9-151.4-120.8 129.5 38.1 80.7 29.7 50 50 A F E -de 77 119B 1 26,-2.7 28,-1.9 -2,-0.4 2,-0.8 -0.898 11.4-160.5 -98.3 102.6 37.4 84.2 28.2 51 51 A L E -de 78 120B 0 68,-0.8 70,-2.5 -2,-0.8 2,-0.7 -0.809 12.5-159.4 -86.0 110.6 34.9 85.8 30.6 52 52 A C E - e 0 121B 1 26,-1.5 2,-0.4 -2,-0.8 70,-0.2 -0.858 3.9-161.3-101.3 108.0 33.4 88.6 28.2 53 53 A L - 0 0 2 68,-2.5 70,-0.2 -2,-0.7 73,-0.2 -0.747 3.5-152.1 -94.5 127.6 31.7 91.5 30.0 54 54 A H - 0 0 0 26,-0.5 69,-0.1 -2,-0.4 2,-0.1 -0.308 11.4-158.6 -87.1 168.9 29.2 93.9 28.3 55 55 A G > - 0 0 0 70,-0.2 3,-1.3 4,-0.2 69,-0.1 -0.402 37.9 -5.9-131.8-152.4 28.5 97.5 29.1 56 56 A E T 3 S- 0 0 0 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.723 121.6 -8.8 -87.3 136.7 25.9 100.3 28.7 57 57 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 162,-0.1 -0.513 115.8 81.2-111.7 46.4 23.3 99.9 27.0 58 58 A T < - 0 0 0 -3,-1.3 28,-0.3 27,-0.1 2,-0.2 -0.081 51.6-143.6-106.9-162.9 24.2 96.5 25.3 59 59 A W > - 0 0 1 26,-0.1 3,-2.6 -3,-0.1 -4,-0.2 -0.839 51.2 -68.8-148.5-175.2 24.3 92.7 25.8 60 60 A S G >> S+ 0 0 2 1,-0.3 3,-2.3 -2,-0.2 4,-0.6 0.789 118.2 79.8 -51.1 -30.2 26.3 89.6 24.9 61 61 A Y G >4 S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.806 81.1 71.8 -46.5 -28.8 25.2 90.2 21.3 62 62 A L G <4 S+ 0 0 0 -3,-2.6 -1,-0.3 1,-0.2 3,-0.3 0.799 94.6 46.8 -58.3 -39.2 28.0 92.7 21.5 63 63 A Y G X> S+ 0 0 0 -3,-2.3 3,-2.8 1,-0.2 4,-2.5 0.334 78.3 118.4 -84.5 -5.7 30.9 90.1 21.5 64 64 A R T << S+ 0 0 8 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.500 76.5 40.5 -40.7 -21.3 29.3 88.2 18.6 65 65 A K T 34 S+ 0 0 85 -3,-0.3 -1,-0.3 227,-0.3 4,-0.1 0.517 118.8 48.7-110.4 -6.2 32.2 88.7 16.2 66 66 A M T X> S+ 0 0 1 -3,-2.8 4,-2.1 2,-0.1 3,-0.5 0.708 95.8 70.2 -94.5 -40.5 34.8 88.0 18.9 67 67 A I H 3X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.3 5,-0.2 0.915 97.8 47.8 -50.2 -54.1 33.3 84.9 20.4 68 68 A P H 3> S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.804 107.2 55.7 -66.5 -26.6 34.0 82.5 17.6 69 69 A V H <4 S+ 0 0 17 -3,-0.5 -2,-0.2 2,-0.2 -3,-0.1 0.906 111.4 45.3 -68.8 -38.0 37.6 83.7 17.2 70 70 A F H ><>S+ 0 0 0 -4,-2.1 5,-1.5 2,-0.2 3,-1.2 0.939 114.3 47.7 -68.7 -47.6 38.1 82.8 20.9 71 71 A A H ><5S+ 0 0 19 -4,-2.7 3,-2.2 1,-0.3 -28,-0.2 0.945 108.0 55.4 -57.2 -51.6 36.3 79.4 20.6 72 72 A E T 3<5S+ 0 0 165 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.574 101.7 60.1 -61.1 -5.0 38.2 78.4 17.4 73 73 A S T < 5S- 0 0 66 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.571 126.9 -98.4 -97.0 -14.8 41.4 79.0 19.4 74 74 A G T < 5S+ 0 0 44 -3,-2.2 -27,-0.3 -4,-0.4 2,-0.3 0.627 81.7 125.7 103.6 23.7 40.5 76.4 21.9 75 75 A A < - 0 0 0 -5,-1.5 2,-0.5 -4,-0.1 -32,-0.4 -0.701 58.3-126.4-106.5 161.7 39.0 78.5 24.6 76 76 A R E - d 0 49B 42 -28,-2.1 -26,-2.7 -2,-0.3 2,-0.6 -0.862 26.8-151.0 -99.6 131.0 35.7 78.3 26.4 77 77 A V E -Cd 41 50B 0 -36,-2.8 -36,-2.2 -2,-0.5 2,-0.2 -0.888 11.0-168.8-110.0 127.7 33.9 81.6 26.3 78 78 A I E +Cd 40 51B 0 -28,-1.9 -26,-1.5 -2,-0.6 -38,-0.2 -0.685 9.9 175.6 -97.4 161.3 31.5 82.7 29.0 79 79 A A E -C 39 0B 0 -40,-1.2 -40,-1.4 -2,-0.2 -19,-0.1 -0.316 10.0-165.8-172.2 80.1 29.4 85.8 28.2 80 80 A P E -C 38 0B 3 0, 0.0 2,-0.5 0, 0.0 -26,-0.5 -0.382 17.1-137.7 -78.5 146.5 26.8 86.9 30.7 81 81 A D - 0 0 0 -44,-2.3 -44,-0.4 -2,-0.1 -22,-0.1 -0.887 30.3-124.9-100.0 127.5 24.0 89.4 30.2 82 82 A F > - 0 0 3 -2,-0.5 3,-2.2 1,-0.1 6,-0.3 -0.307 38.2 -84.8 -67.2 157.4 23.6 91.6 33.4 83 83 A F T 3 S+ 0 0 0 1,-0.3 7,-0.2 5,-0.1 -1,-0.1 -0.539 124.7 31.6 -60.7 128.6 20.2 91.8 35.1 84 84 A G T 3 S+ 0 0 0 5,-2.1 2,-0.3 1,-0.3 -1,-0.3 0.194 112.5 84.4 100.4 -6.2 18.3 94.5 33.1 85 85 A F S X S- 0 0 0 -3,-2.2 3,-1.4 4,-0.3 -1,-0.3 -0.804 90.9 -28.3-125.0 163.6 20.1 93.6 29.9 86 86 A G T 3 S- 0 0 0 -28,-0.3 -79,-0.2 -2,-0.3 -27,-0.1 -0.058 121.4 -17.6 36.5-119.2 19.8 91.1 26.9 87 87 A K T 3 S+ 0 0 24 -81,-0.1 -1,-0.3 -50,-0.0 -80,-0.1 0.426 110.2 100.5 -93.5 -6.4 18.2 87.8 28.0 88 88 A S S < S- 0 0 0 -3,-1.4 -81,-0.3 -6,-0.3 -52,-0.2 -0.173 83.2 -89.3 -72.1 173.0 18.6 88.1 31.8 89 89 A D - 0 0 8 -54,-2.2 -5,-2.1 -83,-0.1 -4,-0.3 -0.379 38.4-133.8 -79.8 165.4 15.7 89.3 33.9 90 90 A K E -A 5 0A 0 -85,-3.3 -85,-2.0 -7,-0.2 127,-0.1 -0.895 1.3-141.4-133.5 110.0 15.0 92.9 34.7 91 91 A P E -A 4 0A 1 0, 0.0 -87,-0.3 0, 0.0 127,-0.2 -0.367 18.4-141.0 -60.9 144.8 14.2 94.5 37.9 92 92 A V S S+ 0 0 32 -89,-1.7 2,-0.4 125,-0.1 -88,-0.1 0.629 76.3 70.2 -79.1 -25.6 11.6 97.2 37.3 93 93 A D > - 0 0 85 -90,-0.4 3,-1.2 1,-0.1 4,-0.3 -0.858 67.4-146.2-102.4 129.4 12.9 99.9 39.7 94 94 A E G > S+ 0 0 44 -2,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.729 95.4 73.3 -65.7 -24.2 16.1 101.8 39.2 95 95 A E G 3 S+ 0 0 173 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.627 92.4 59.3 -62.9 -15.1 16.7 101.9 43.1 96 96 A D G < S+ 0 0 41 -3,-1.2 2,-0.6 2,-0.0 -1,-0.2 0.702 85.7 82.1 -87.9 -25.9 17.6 98.2 42.8 97 97 A Y < + 0 0 0 -3,-1.1 2,-0.2 -4,-0.3 -13,-0.0 -0.786 57.4 149.5 -88.8 124.1 20.5 98.5 40.5 98 98 A T > - 0 0 45 -2,-0.6 4,-0.8 1,-0.0 5,-0.1 -0.752 59.2 -98.2-135.7-177.1 23.7 99.5 42.3 99 99 A F H > S+ 0 0 5 -2,-0.2 4,-0.8 2,-0.2 5,-0.1 0.848 123.0 42.0 -76.4 -37.8 27.4 98.8 41.8 100 100 A E H > S+ 0 0 80 2,-0.2 4,-4.4 1,-0.2 5,-0.5 0.928 106.3 61.8 -74.8 -47.5 27.5 96.0 44.3 101 101 A F H > S+ 0 0 26 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.816 114.0 36.0 -51.3 -31.2 24.3 94.5 43.1 102 102 A H H X S+ 0 0 0 -4,-0.8 4,-0.6 2,-0.2 -1,-0.3 0.662 119.6 50.4 -96.9 -17.4 25.9 93.9 39.7 103 103 A R H X S+ 0 0 26 -4,-0.8 4,-1.6 -3,-0.2 3,-0.3 0.916 108.2 49.2 -84.0 -39.5 29.3 93.2 41.1 104 104 A N H X S+ 0 0 70 -4,-4.4 4,-2.4 1,-0.2 -3,-0.2 0.816 106.6 58.4 -65.9 -32.8 28.2 90.6 43.5 105 105 A F H X S+ 0 0 1 -4,-0.6 4,-2.1 -5,-0.5 -1,-0.2 0.783 106.0 51.2 -63.9 -28.6 26.2 89.0 40.7 106 106 A L H X S+ 0 0 0 -4,-0.6 4,-1.9 -3,-0.3 -2,-0.2 0.866 110.6 44.9 -76.5 -42.0 29.5 88.7 38.9 107 107 A L H X S+ 0 0 29 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.820 113.7 52.6 -69.4 -38.0 31.3 87.0 41.8 108 108 A A H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.954 109.2 47.9 -63.6 -51.8 28.3 84.8 42.2 109 109 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.913 113.0 50.4 -55.5 -46.2 28.3 83.7 38.5 110 110 A I H X>S+ 0 0 5 -4,-1.9 5,-1.3 2,-0.2 4,-0.7 0.853 112.2 44.5 -62.3 -43.3 32.1 83.1 38.8 111 111 A E H ><5S+ 0 0 126 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.992 111.7 53.3 -66.4 -56.9 31.9 80.9 41.9 112 112 A R H 3<5S+ 0 0 117 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.843 117.2 34.9 -43.1 -50.6 28.9 78.9 40.7 113 113 A L H 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.513 104.2-137.1 -84.2 -7.9 30.5 77.9 37.3 114 114 A D T <<5 - 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0 0 12 -3,-2.0 2,-0.2 -7,-0.2 95,-0.0 -0.162 67.5-128.6 -51.0 156.0 26.1 99.1 12.4 199 199 A T > - 0 0 70 1,-0.0 4,-1.9 0, 0.0 3,-0.3 -0.557 33.0 -98.5-101.7 168.5 23.6 97.9 9.7 200 200 A E H > S+ 0 0 158 1,-0.2 4,-1.3 -2,-0.2 5,-0.1 0.813 124.8 55.1 -58.8 -29.1 19.9 98.4 10.3 201 201 A A H > S+ 0 0 38 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.931 107.4 45.9 -69.1 -41.7 19.8 94.7 11.4 202 202 A E H >> S+ 0 0 21 -3,-0.3 4,-0.9 1,-0.2 3,-0.9 0.881 109.6 54.5 -62.2 -50.1 22.5 94.9 14.0 203 203 A A H >< S+ 0 0 2 -4,-1.9 3,-1.0 1,-0.3 4,-0.4 0.890 104.9 54.2 -53.5 -40.9 21.1 98.1 15.5 204 204 A S H >X S+ 0 0 54 -4,-1.3 4,-1.1 1,-0.3 3,-0.8 0.763 97.1 66.5 -69.3 -22.8 17.8 96.3 15.9 205 205 A A H << S+ 0 0 1 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.805 97.8 53.3 -66.9 -27.6 19.5 93.6 17.8 206 206 A Y T << S+ 0 0 1 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.582 110.3 46.3 -87.2 -8.1 20.3 96.1 20.6 207 207 A A T X4 S+ 0 0 17 -3,-0.8 3,-2.2 -4,-0.4 -1,-0.2 0.524 88.7 91.5-102.8 -15.7 16.5 97.1 20.9 208 208 A A T 3< S+ 0 0 7 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.852 82.2 52.7 -49.4 -41.1 15.3 93.5 20.9 209 209 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.630 103.6 66.1 -73.2 -11.8 15.4 93.1 24.6 210 210 A F < + 0 0 14 -3,-2.2 -23,-0.2 1,-0.2 3,-0.1 -0.766 44.5 160.6-126.4 93.5 13.3 96.2 25.1 211 211 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.805 76.8 1.3 -64.1 -44.0 9.7 96.2 24.0 212 212 A D S > S- 0 0 84 -28,-0.0 3,-2.1 0, 0.0 4,-0.2 -0.923 83.7 -93.2-148.1 167.8 8.7 99.1 26.1 213 213 A T G > S+ 0 0 58 1,-0.3 3,-1.7 -2,-0.3 4,-0.1 0.683 111.6 72.6 -61.2 -23.1 10.2 101.5 28.6 214 214 A S G 3 S+ 0 0 58 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.632 94.4 56.7 -69.6 -7.1 9.4 99.4 31.7 215 215 A Y G < S+ 0 0 33 -3,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.449 96.0 71.1 -94.5 -8.3 12.0 97.0 30.6 216 216 A Q X> + 0 0 7 -3,-1.7 4,-2.1 -4,-0.2 3,-1.2 0.370 53.1 111.6 -95.4 13.5 14.6 99.8 30.6 217 217 A A H 3> S+ 0 0 0 -3,-0.4 4,-1.5 1,-0.3 -1,-0.2 0.830 85.5 46.1 -58.5 -24.7 15.2 100.6 34.3 218 218 A G H 3> S+ 0 0 1 -3,-0.4 4,-0.7 -134,-0.2 -1,-0.3 0.757 107.2 56.5 -89.9 -17.4 18.6 99.3 34.2 219 219 A V H <4 S+ 0 0 0 -3,-1.2 3,-0.3 -135,-0.2 -2,-0.2 0.901 111.2 47.8 -67.1 -53.0 19.4 101.0 30.9 220 220 A R H X S+ 0 0 54 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.794 108.9 49.7 -56.0 -45.2 18.4 104.3 32.7 221 221 A K H X S+ 0 0 41 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.746 94.4 73.1 -73.9 -28.2 20.4 103.9 36.0 222 222 A F H >X S+ 0 0 1 -4,-0.7 3,-1.5 -3,-0.3 4,-0.7 0.957 96.4 44.7 -60.4 -52.3 23.8 103.1 34.6 223 223 A P H >> S+ 0 0 1 0, 0.0 3,-2.0 0, 0.0 4,-1.7 0.950 112.1 56.3 -56.2 -41.2 24.8 106.5 33.2 224 224 A K H 3X S+ 0 0 55 -4,-0.8 4,-2.6 1,-0.3 -2,-0.2 0.706 99.8 58.5 -59.9 -17.7 23.6 107.9 36.5 225 225 A M H << S+ 0 0 14 -3,-1.5 -1,-0.3 -4,-1.0 -3,-0.1 0.655 103.6 51.9 -85.9 -15.0 26.0 105.6 38.3 226 226 A V H << S+ 0 0 5 -3,-2.0 3,-0.4 -4,-0.7 -2,-0.2 0.866 115.6 42.1 -79.4 -40.2 28.9 107.2 36.4 227 227 A A H < S+ 0 0 42 -4,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.933 122.9 36.4 -68.6 -55.1 27.7 110.6 37.5 228 228 A Q S < S- 0 0 136 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.769 73.6-173.4-113.0 83.1 26.8 109.7 41.1 229 229 A R - 0 0 32 -2,-0.5 -3,-0.1 -3,-0.4 -4,-0.1 -0.681 15.7-144.5 -75.1 112.6 29.4 107.2 42.6 230 230 A D > - 0 0 70 -2,-0.4 4,-1.3 -5,-0.1 5,-0.1 -0.132 29.1 -97.4 -73.6 172.4 28.4 105.9 46.1 231 231 A Q H > S+ 0 0 131 2,-0.2 4,-3.9 1,-0.2 3,-0.5 0.925 120.7 52.8 -60.5 -54.6 30.9 105.1 48.8 232 232 A A H > S+ 0 0 23 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.932 111.3 49.2 -44.5 -50.6 31.1 101.3 48.3 233 233 A C H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.823 114.5 45.5 -60.3 -35.1 31.9 101.9 44.5 234 234 A I H X S+ 0 0 22 -4,-1.3 4,-2.0 -3,-0.5 -2,-0.2 0.954 115.9 44.7 -74.5 -53.4 34.6 104.5 45.4 235 235 A D H X S+ 0 0 82 -4,-3.9 4,-2.0 2,-0.2 -2,-0.2 0.952 116.9 45.5 -57.0 -48.7 36.1 102.3 48.1 236 236 A I H >X S+ 0 0 21 -4,-3.7 4,-1.4 -5,-0.4 3,-0.6 0.973 115.0 46.5 -59.0 -52.5 36.0 99.3 45.9 237 237 A S H 3X S+ 0 0 0 -4,-2.1 4,-1.0 -85,-0.3 -1,-0.2 0.744 112.2 52.2 -62.4 -23.8 37.4 101.0 42.8 238 238 A T H 3X S+ 0 0 54 -4,-2.0 4,-0.9 2,-0.2 -1,-0.3 0.837 107.1 51.6 -79.4 -32.5 40.1 102.7 44.9 239 239 A E H S+ 0 0 58 -4,-0.9 4,-2.9 1,-0.2 5,-0.7 0.862 111.5 50.0 -49.5 -41.1 46.4 99.2 44.2 243 243 A F H X>S+ 0 0 13 -4,-1.0 5,-2.7 -3,-0.2 4,-0.6 0.911 114.0 43.3 -69.8 -48.8 45.8 95.6 43.0 244 244 A W H <5S+ 0 0 1 -4,-2.9 32,-3.9 3,-0.2 -2,-0.2 0.875 120.8 42.5 -70.1 -31.4 46.4 96.5 39.3 245 245 A Q H <5S+ 0 0 104 -4,-3.6 -2,-0.2 -5,-0.4 -3,-0.2 0.924 133.3 12.2 -82.3 -43.2 49.5 98.5 40.2 246 246 A N H <5S+ 0 0 97 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.1 0.899 129.8 36.1-103.5 -39.3 51.1 96.3 42.9 247 247 A D T < - h 0 284B 0 -2,-0.4 3,-1.7 6,-0.2 28,-0.1 -0.830 17.8-164.6 -94.9 94.6 39.0 103.2 20.0 258 258 A M T 3 S+ 0 0 56 26,-1.2 30,-0.2 -2,-1.1 -1,-0.1 0.631 81.3 62.7 -55.5 -23.9 40.6 106.6 19.0 259 259 A K T 3 S+ 0 0 131 28,-3.1 2,-0.5 25,-0.4 -1,-0.3 0.351 76.4 119.8 -87.9 9.5 37.2 108.0 18.0 260 260 A D <> - 0 0 14 -3,-1.7 4,-0.6 28,-0.4 -89,-0.1 -0.669 41.6-174.6 -88.4 131.8 35.8 107.7 21.4 261 261 A K T 4 S+ 0 0 111 -2,-0.5 -89,-0.3 2,-0.2 -1,-0.2 0.674 85.3 44.8 -88.4 -28.5 34.7 111.0 23.0 262 262 A L T 4 S+ 0 0 7 -91,-0.2 -98,-0.1 1,-0.1 -90,-0.1 0.966 133.1 5.5 -82.2 -62.7 33.9 109.4 26.4 263 263 A L T 4 S+ 0 0 2 -6,-0.1 -6,-0.2 -115,-0.1 -2,-0.2 -0.341 88.2 127.1-119.0 52.9 36.9 107.1 27.0 264 264 A G S >X S- 0 0 4 -4,-0.6 4,-1.6 -6,-0.1 3,-1.6 0.214 82.5 -40.0 -83.7-149.2 39.6 107.6 24.3 265 265 A P H 3> S+ 0 0 36 0, 0.0 4,-2.3 0, 0.0 -7,-0.1 0.679 129.6 65.8 -43.9 -41.9 43.3 108.3 25.0 266 266 A D H 34 S+ 0 0 136 1,-0.2 -3,-0.1 2,-0.2 -106,-0.0 0.839 116.7 28.7 -52.4 -38.8 42.7 110.8 27.8 267 267 A V H <> S+ 0 0 2 -3,-1.6 4,-0.8 2,-0.1 -1,-0.2 0.774 119.9 54.4 -94.3 -35.4 41.4 108.0 29.9 268 268 A M H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.784 101.3 55.2 -75.2 -31.9 43.3 105.0 28.3 269 269 A Y H X S+ 0 0 96 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.882 109.4 48.0 -70.0 -33.4 46.9 106.2 28.7 270 270 A P H > S+ 0 0 39 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.830 112.7 48.6 -74.1 -30.7 46.4 106.8 32.4 271 271 A M H >X S+ 0 0 0 -4,-0.8 4,-1.2 1,-0.2 3,-1.2 0.925 103.8 60.7 -74.0 -48.6 44.9 103.2 32.8 272 272 A K H 3< S+ 0 0 68 -4,-2.8 3,-0.3 1,-0.2 6,-0.3 0.854 105.0 52.0 -52.2 -26.3 47.7 101.8 30.9 273 273 A A H 3< S+ 0 0 78 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.723 104.8 50.1 -84.9 -19.7 50.0 103.1 33.6 274 274 A L H << S+ 0 0 15 -3,-1.2 2,-0.9 -4,-0.7 -1,-0.2 0.557 89.9 87.6 -90.0 -11.6 48.3 101.7 36.6 275 275 A I S >< S- 0 0 3 -4,-1.2 3,-2.3 -3,-0.3 -30,-0.2 -0.787 87.0-124.6 -90.3 106.4 48.1 98.1 35.3 276 276 A N T 3 S+ 0 0 73 -32,-3.9 -2,-0.1 -2,-0.9 -26,-0.1 -0.337 94.0 9.1 -53.6 123.2 51.4 96.6 36.3 277 277 A G T 3 S+ 0 0 60 1,-0.2 -25,-0.3 -4,-0.1 -1,-0.3 0.503 83.9 156.0 87.7 6.8 53.0 95.3 33.0 278 278 A C < - 0 0 10 -3,-2.3 -1,-0.2 -6,-0.3 -25,-0.1 -0.532 31.1-146.6 -71.4 123.1 50.5 96.9 30.5 279 279 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 -0.175 37.4 -53.6 -83.2 177.9 52.3 97.2 27.1 280 280 A E S S- 0 0 186 1,-0.1 -26,-0.2 -27,-0.0 0, 0.0 -0.246 71.4-118.4 -50.5 110.0 52.0 99.9 24.1 281 281 A P - 0 0 19 0, 0.0 2,-0.7 0, 0.0 -26,-0.2 -0.061 14.3-115.1 -63.1 171.7 48.3 100.0 23.3 282 282 A L E -h 255 0B 49 -28,-1.4 -26,-3.9 2,-0.0 2,-0.6 -0.943 29.8-151.0-107.7 111.5 46.8 99.1 20.0 283 283 A E E -h 256 0B 98 -2,-0.7 2,-0.9 -28,-0.2 -26,-0.2 -0.786 6.1-161.5 -90.1 113.9 45.2 102.2 18.5 284 284 A I E > -h 257 0B 6 -28,-3.2 3,-1.3 -2,-0.6 -26,-1.2 -0.850 4.7-165.5-100.9 104.2 42.3 101.5 16.3 285 285 A A T 3 S+ 0 0 65 -2,-0.9 -1,-0.2 1,-0.3 -26,-0.0 0.878 80.5 45.6 -61.6 -45.9 41.9 104.6 14.2 286 286 A D T 3 S+ 0 0 115 -28,-0.1 2,-0.3 -27,-0.0 -1,-0.3 0.398 94.0 105.4 -85.6 12.7 38.4 104.1 12.8 287 287 A A < - 0 0 0 -3,-1.3 -28,-3.1 -31,-0.2 -27,-0.4 -0.743 46.0-167.5-103.1 146.6 36.8 103.0 16.0 288 288 A G - 0 0 22 -2,-0.3 -28,-0.4 2,-0.3 -29,-0.2 0.285 57.1 -54.5 -93.0-145.9 34.4 104.6 18.4 289 289 A H S S+ 0 0 3 -95,-0.5 2,-1.4 -30,-0.3 3,-0.2 0.836 124.9 64.7 -70.2 -40.5 33.3 103.6 22.0 290 290 A F > + 0 0 6 -96,-0.4 3,-1.4 1,-0.2 -2,-0.3 -0.690 61.7 170.2 -90.2 82.6 32.1 100.2 21.0 291 291 A V G > + 0 0 0 -2,-1.4 3,-2.6 1,-0.3 7,-0.2 0.798 66.4 77.8 -66.3 -27.9 35.5 98.7 20.0 292 292 A Q G > S+ 0 0 2 1,-0.3 3,-0.8 -3,-0.2 -1,-0.3 0.448 77.7 70.8 -64.2 3.0 34.0 95.4 19.8 293 293 A E G < S+ 0 0 13 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.508 102.7 43.7 -98.7 -3.4 32.4 96.3 16.4 294 294 A F G <> S+ 0 0 54 -3,-2.6 4,-1.0 -4,-0.1 -1,-0.3 -0.445 92.8 135.2-123.4 42.0 36.0 96.1 15.0 295 295 A G H <> + 0 0 0 -3,-0.8 4,-3.1 2,-0.2 5,-0.3 0.773 50.9 56.5 -64.6 -47.1 36.1 93.0 17.1 296 296 A E H > S+ 0 0 91 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.950 106.4 52.1 -59.4 -46.9 37.6 90.3 15.1 297 297 A Q H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.915 114.0 45.3 -56.7 -43.8 40.7 92.4 14.5 298 298 A V H X S+ 0 0 0 -4,-1.0 4,-3.0 -7,-0.2 -2,-0.2 0.964 113.2 47.4 -65.5 -50.1 40.9 92.8 18.3 299 299 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.892 114.0 49.6 -54.1 -45.6 40.3 89.2 19.2 300 300 A R H X S+ 0 0 132 -4,-3.1 4,-1.8 -5,-0.3 3,-0.4 0.963 115.5 40.0 -60.8 -56.3 42.8 88.0 16.6 301 301 A E H X S+ 0 0 60 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.818 109.6 60.2 -64.8 -36.2 45.6 90.3 17.7 302 302 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.827 110.7 41.4 -61.8 -34.1 44.9 89.8 21.3 303 303 A L H X S+ 0 0 37 -4,-1.5 4,-1.4 -3,-0.4 -2,-0.2 0.761 110.4 57.7 -81.3 -30.3 45.5 86.1 20.9 304 304 A K H X S+ 0 0 110 -4,-1.8 4,-1.7 2,-0.2 3,-0.3 0.919 112.6 40.5 -67.1 -42.2 48.6 86.8 18.7 305 305 A H H X S+ 0 0 45 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.905 110.3 61.3 -67.6 -44.1 50.1 88.8 21.6 306 306 A F H < S+ 0 0 2 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.799 111.9 34.7 -51.6 -37.5 48.9 86.3 24.1 307 307 A A H >< S+ 0 0 69 -4,-1.4 3,-1.2 -3,-0.3 -1,-0.2 0.801 105.0 67.7 -88.1 -41.3 51.0 83.4 22.5 308 308 A E H 3< S+ 0 0 146 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.579 109.4 42.4 -59.0 -7.1 54.0 85.4 21.4 309 309 A T T 3< 0 0 89 -4,-0.6 -1,-0.3 -3,-0.1 -2,-0.1 -0.420 360.0 360.0-135.6 52.7 54.6 85.8 25.3 310 310 A E < 0 0 160 -3,-1.2 -2,-0.1 0, 0.0 -1,-0.1 0.280 360.0 360.0-142.4 360.0 53.9 82.3 26.6