==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-99 1CV2 . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR J.MAREK,J.VEVODOVA,J.DAMBORSKY,I.SMATANOVA,L.A.SVENSSON, . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.8 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 . 1 0.3 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 . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 1 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 4 A G 0 0 72 0, 0.0 43,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 151.3 7.9 3.5 5.5 2 5 A A + 0 0 35 2,-0.1 41,-0.1 41,-0.1 184,-0.0 0.560 360.0 108.6 -95.8 -7.7 11.6 4.1 4.9 3 6 A K S S- 0 0 139 1,-0.1 180,-0.0 40,-0.0 179,-0.0 -0.501 70.9-120.3 -73.6 138.6 11.3 6.5 2.1 4 7 A P - 0 0 61 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.181 26.7-108.5 -64.9 164.4 12.1 10.1 2.7 5 8 A F S S- 0 0 38 34,-0.1 39,-0.1 2,-0.0 37,-0.1 -0.807 74.6 -31.0 -93.8 129.1 9.6 12.8 2.3 6 9 A G S S- 0 0 29 -2,-0.5 2,-0.3 37,-0.1 15,-0.1 -0.172 92.5 -70.4 61.0-156.1 10.0 15.2 -0.6 7 10 A E - 0 0 41 15,-0.1 15,-0.4 13,-0.0 2,-0.2 -0.978 48.1 -91.9-139.3 155.8 13.6 15.9 -1.7 8 11 A K - 0 0 65 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.424 33.9-169.0 -70.7 133.0 16.6 17.7 -0.2 9 12 A K E -A 20 0A 89 11,-3.4 11,-2.2 -2,-0.2 2,-0.3 -0.815 10.2-148.8-108.6 158.6 17.2 21.4 -1.1 10 13 A F E +A 19 0A 98 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.951 15.7 177.7-130.4 149.4 20.4 23.2 -0.2 11 14 A I E -A 18 0A 44 7,-2.1 7,-2.6 -2,-0.3 2,-0.5 -0.988 32.5-113.6-149.1 142.2 21.3 26.7 0.7 12 15 A E + 0 0 116 -2,-0.3 2,-0.4 5,-0.2 -2,-0.0 -0.692 34.8 178.0 -81.5 126.6 24.5 28.4 1.7 13 16 A I S > S- 0 0 9 -2,-0.5 3,-2.6 1,-0.1 76,-0.1 -0.999 72.2 -16.7-130.1 120.5 24.6 29.7 5.3 14 17 A K T 3 S- 0 0 121 -2,-0.4 -1,-0.1 1,-0.3 71,-0.0 0.865 128.1 -58.0 49.3 41.1 27.6 31.3 6.8 15 18 A G T 3 S+ 0 0 49 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.1 0.569 121.8 101.6 67.3 15.4 29.5 29.7 3.9 16 19 A R S < S- 0 0 63 -3,-2.6 51,-0.5 -5,-0.1 -4,-0.1 0.395 74.4-123.0-117.9 11.8 28.4 26.1 4.8 17 20 A R - 0 0 126 1,-0.1 50,-3.0 49,-0.1 2,-0.4 0.902 26.6-160.7 46.9 107.2 25.6 24.5 2.7 18 21 A M E -A 11 0A 0 -7,-2.6 -7,-2.1 48,-0.2 2,-0.3 -0.920 8.0-136.7-115.3 144.4 22.6 23.3 4.8 19 22 A A E +A 10 0A 0 -2,-0.4 40,-3.1 40,-0.3 2,-0.3 -0.742 29.8 156.2-105.7 147.9 20.1 20.8 3.7 20 23 A Y E -AB 9 58A 24 -11,-2.2 -11,-3.4 -2,-0.3 2,-0.4 -0.985 39.3-118.4-164.7 157.0 16.3 20.9 4.2 21 24 A I E + B 0 57A 4 36,-2.4 36,-2.2 -2,-0.3 2,-0.3 -0.878 29.5 174.4 -96.9 136.4 13.0 19.8 2.9 22 25 A D E + B 0 56A 18 -15,-0.4 2,-0.4 -2,-0.4 34,-0.2 -0.793 12.0 162.7-148.7 95.2 10.6 22.6 1.7 23 26 A E E + B 0 55A 65 32,-2.5 32,-3.2 -2,-0.3 2,-0.1 -0.965 40.4 2.3-124.8 128.4 7.4 21.3 0.2 24 27 A G S S- 0 0 58 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.430 74.2 -82.6 101.3-175.1 4.2 23.0 -0.5 25 28 A T S S+ 0 0 122 28,-0.4 2,-0.3 -2,-0.1 -2,-0.0 -0.914 70.6 46.4-138.8 158.3 2.9 26.5 -0.1 26 29 A G S S- 0 0 47 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.713 97.1 -8.1 109.9-159.3 1.4 28.8 2.6 27 30 A D S S- 0 0 66 -2,-0.3 27,-1.7 25,-0.2 72,-0.1 -0.481 86.1 -99.2 -73.1 145.7 2.5 29.4 6.2 28 31 A P E -c 54 0A 2 0, 0.0 72,-2.4 0, 0.0 2,-0.5 -0.344 21.5-160.6 -71.7 145.2 5.2 27.1 7.3 29 32 A I E -cd 55 100A 0 25,-2.9 27,-2.9 70,-0.2 2,-0.7 -0.994 26.1-158.6-117.5 112.5 4.9 24.0 9.4 30 33 A L E -cd 56 101A 0 70,-3.4 72,-3.1 -2,-0.5 2,-0.5 -0.886 9.6-165.8-110.5 107.6 8.4 23.7 10.6 31 34 A F E -cd 57 102A 0 25,-3.2 2,-0.6 -2,-0.7 27,-0.5 -0.853 6.6-168.9 -98.9 120.6 9.6 20.3 11.8 32 35 A Q E -cd 58 103A 0 70,-2.8 72,-1.6 -2,-0.5 75,-0.2 -0.944 3.7-158.3-122.9 114.2 12.9 20.3 13.7 33 36 A H - 0 0 0 -2,-0.6 2,-0.1 25,-0.5 6,-0.1 -0.238 6.6-160.2 -69.1 168.6 14.8 17.1 14.6 34 37 A G > + 0 0 0 72,-0.2 3,-1.7 4,-0.2 -1,-0.1 -0.203 43.0 8.8-127.7-143.6 17.3 16.7 17.4 35 38 A N T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.700 121.5 -11.3 -95.3 137.4 20.1 14.2 18.2 36 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.472 116.6 83.0-106.6 55.0 21.3 12.0 16.4 37 40 A T < - 0 0 3 -3,-1.7 27,-0.3 26,-0.1 2,-0.3 -0.060 53.6-154.7-112.6-164.1 18.5 12.3 13.8 38 41 A S > - 0 0 8 25,-0.1 3,-2.4 21,-0.1 4,-0.3 -0.904 53.6 -61.7-156.4-172.6 17.8 14.5 10.7 39 42 A S G > S+ 0 0 2 1,-0.3 3,-1.9 -2,-0.3 4,-0.1 0.748 122.7 77.5 -49.4 -29.5 14.8 15.7 8.7 40 43 A Y G > S+ 0 0 20 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.735 76.5 74.6 -53.5 -28.1 14.3 12.0 8.0 41 44 A L G < S+ 0 0 3 -3,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.793 99.4 43.2 -54.1 -33.4 12.8 11.6 11.5 42 45 A W G X> S+ 0 0 0 -3,-1.9 4,-3.0 -4,-0.3 3,-1.7 0.291 77.9 112.6 -97.8 7.4 9.6 13.3 10.2 43 46 A R T <4 S+ 0 0 5 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.786 84.9 37.9 -60.3 -30.8 9.3 11.5 6.9 44 47 A N T 34 S+ 0 0 35 -3,-0.3 -1,-0.3 -4,-0.2 236,-0.1 0.409 118.3 50.6 -98.0 -3.7 6.1 9.6 7.9 45 48 A I T X4 S+ 0 0 1 -3,-1.7 3,-1.5 2,-0.1 4,-0.4 0.784 97.9 62.5 -99.1 -44.2 4.6 12.5 9.8 46 49 A M G >< S+ 0 0 0 -4,-3.0 3,-2.2 1,-0.3 -2,-0.1 0.848 91.1 67.3 -54.4 -37.8 4.9 15.3 7.3 47 50 A P G > S+ 0 0 57 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.795 90.5 65.3 -51.5 -32.0 2.6 13.6 4.8 48 51 A H G < S+ 0 0 59 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.722 99.3 52.6 -61.8 -21.6 -0.3 14.2 7.2 49 52 A C G X> S+ 0 0 0 -3,-2.2 3,-2.3 -4,-0.4 4,-0.5 0.252 76.2 142.5-102.9 14.2 0.0 17.9 6.8 50 53 A A T <4 S+ 0 0 63 -3,-1.8 4,-0.1 1,-0.3 -26,-0.1 -0.282 75.3 11.6 -54.2 138.3 -0.1 17.9 3.0 51 54 A G T 34 S+ 0 0 81 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.269 106.0 93.9 79.1 -14.0 -2.1 20.9 1.8 52 55 A L T <4 S- 0 0 37 -3,-2.3 2,-0.3 1,-0.2 -25,-0.2 0.634 97.8 -47.8 -93.2 -10.0 -2.0 22.6 5.2 53 56 A G S < S- 0 0 4 -4,-0.5 2,-0.7 -27,-0.1 -28,-0.4 -0.972 80.4 -44.1 170.0-171.8 1.0 24.7 4.7 54 57 A R E - c 0 28A 39 -27,-1.7 -25,-2.9 -2,-0.3 2,-0.6 -0.799 57.2-145.1 -87.3 113.5 4.6 24.8 3.6 55 58 A L E +Bc 23 29A 6 -32,-3.2 -32,-2.5 -2,-0.7 2,-0.4 -0.722 25.1 176.1 -92.7 115.3 6.2 21.7 5.1 56 59 A I E +Bc 22 30A 0 -27,-2.9 -25,-3.2 -2,-0.6 2,-0.3 -0.950 16.7 173.1-127.5 137.0 9.7 22.3 6.1 57 60 A A E -Bc 21 31A 0 -36,-2.2 -36,-2.4 -2,-0.4 2,-0.3 -0.869 16.2-160.6-143.7 111.1 12.3 20.2 7.8 58 61 A C E -Bc 20 32A 0 -27,-0.5 2,-0.6 -2,-0.3 -25,-0.5 -0.625 16.2-130.3 -92.1 148.9 15.9 21.4 8.2 59 62 A D - 0 0 0 -40,-3.1 -40,-0.3 -2,-0.3 3,-0.1 -0.861 31.9-121.1 -92.9 119.7 19.0 19.3 8.9 60 63 A L > - 0 0 1 -2,-0.6 3,-2.3 1,-0.1 6,-0.3 -0.224 44.9 -78.8 -54.6 153.1 21.0 20.8 11.7 61 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 21,-0.2 -1,-0.1 -0.276 121.8 17.3 -57.2 139.1 24.5 21.8 10.8 62 65 A G T 3 S+ 0 0 0 5,-1.9 2,-0.3 1,-0.3 -1,-0.3 0.414 115.1 92.6 81.7 -4.2 26.8 18.7 10.8 63 66 A M S X S- 0 0 0 -3,-2.3 3,-2.5 4,-0.2 -1,-0.3 -0.789 85.3 -10.0-121.7 162.6 23.7 16.5 10.6 64 67 A G T 3 S- 0 0 12 -27,-0.3 -26,-0.1 1,-0.3 -44,-0.0 -0.248 129.5 -26.0 51.2-129.6 21.7 14.9 7.8 65 68 A D T 3 S+ 0 0 73 2,-0.0 -1,-0.3 -4,-0.0 2,-0.2 0.257 109.1 115.9 -96.7 10.0 22.9 16.3 4.5 66 69 A S S < S- 0 0 6 -3,-2.5 -48,-0.2 -6,-0.3 -49,-0.1 -0.512 75.5 -94.5 -78.7 148.9 24.1 19.6 6.0 67 70 A D - 0 0 55 -50,-3.0 -5,-1.9 -51,-0.5 -4,-0.2 -0.239 34.6-115.5 -63.0 150.1 27.8 20.3 5.9 68 71 A K - 0 0 62 -6,-0.2 2,-0.5 -7,-0.2 -1,-0.1 -0.539 29.0-115.7 -71.5 148.3 30.1 19.4 8.6 69 72 A L - 0 0 2 -2,-0.2 3,-0.1 -8,-0.1 -1,-0.1 -0.726 38.9-127.4 -81.0 126.9 31.9 22.3 10.4 70 73 A D S S+ 0 0 59 -2,-0.5 3,-0.0 1,-0.3 2,-0.0 -0.983 88.5 35.3-124.1 146.6 35.6 22.1 9.8 71 74 A P S S- 0 0 111 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.460 88.1-171.7 -79.1 132.6 37.9 22.1 11.8 72 75 A S + 0 0 29 -3,-0.1 124,-0.1 4,-0.1 125,-0.1 -0.551 19.0 132.1 -92.1 158.4 35.7 20.1 14.2 73 76 A G S > S- 0 0 14 -2,-0.2 3,-2.1 123,-0.1 0, 0.0 -0.963 70.6 -56.6-179.5-173.6 36.6 19.3 17.8 74 77 A P T 3 S+ 0 0 82 0, 0.0 -2,-0.0 0, 0.0 83,-0.0 0.635 128.7 55.1 -63.5 -14.3 35.3 19.3 21.3 75 78 A E T 3 S+ 0 0 173 3,-0.0 3,-0.5 2,-0.0 2,-0.2 0.535 93.4 90.4 -95.5 -3.2 34.5 23.0 21.1 76 79 A R S < S+ 0 0 52 -3,-2.1 -4,-0.1 1,-0.2 127,-0.0 -0.580 77.5 25.6 -95.3 152.5 32.3 22.7 18.0 77 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.753 75.0 156.6 70.7 29.0 28.6 22.1 17.6 78 81 A A > - 0 0 25 -3,-0.5 4,-2.3 1,-0.1 3,-0.4 -0.361 61.0 -95.7 -70.8 166.5 27.6 23.6 21.0 79 82 A Y H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 124.3 53.9 -49.4 -50.2 24.0 24.8 21.3 80 83 A A H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 108.5 48.5 -59.0 -36.4 25.0 28.4 20.5 81 84 A E H > S+ 0 0 39 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.932 110.6 49.9 -71.6 -41.3 26.7 27.4 17.3 82 85 A H H X S+ 0 0 2 -4,-2.3 4,-3.1 1,-0.2 -21,-0.2 0.905 110.5 52.0 -59.8 -39.1 23.8 25.3 16.1 83 86 A R H X S+ 0 0 56 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.882 105.1 55.2 -65.2 -41.7 21.5 28.3 16.9 84 87 A D H X S+ 0 0 84 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.942 114.4 39.7 -57.8 -45.9 23.7 30.6 14.9 85 88 A Y H X S+ 0 0 17 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 118.2 46.7 -70.6 -42.2 23.3 28.4 11.8 86 89 A L H X S+ 0 0 3 -4,-3.1 4,-2.9 -5,-0.2 5,-0.2 0.904 109.8 52.2 -70.9 -38.9 19.7 27.5 12.4 87 90 A D H X S+ 0 0 41 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.916 112.4 47.5 -55.3 -44.5 18.6 31.1 13.0 88 91 A A H X S+ 0 0 33 -4,-1.5 4,-2.2 -5,-0.4 -2,-0.2 0.890 112.1 49.1 -68.5 -36.6 20.3 32.1 9.8 89 92 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.944 110.9 49.0 -65.5 -48.8 18.7 29.3 7.8 90 93 A W H <>S+ 0 0 0 -4,-2.9 5,-0.7 1,-0.2 4,-0.3 0.873 111.6 50.6 -63.4 -34.5 15.2 30.0 9.1 91 94 A E H ><5S+ 0 0 129 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.925 109.5 51.2 -62.8 -44.3 15.8 33.7 8.2 92 95 A A H 3<5S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.804 101.6 60.9 -64.2 -29.2 16.9 32.7 4.7 93 96 A L T 3<5S- 0 0 8 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.545 101.0-133.8 -80.9 -4.0 13.8 30.5 4.2 94 97 A D T < 5 + 0 0 128 -3,-1.3 -3,-0.1 -4,-0.3 -2,-0.1 0.965 32.3 178.9 52.9 65.1 11.5 33.6 4.6 95 98 A L < - 0 0 3 -5,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.632 22.4-146.1 -75.9 -18.0 9.1 31.9 6.9 96 99 A G - 0 0 32 1,-0.2 3,-0.2 -69,-0.1 -1,-0.2 -0.306 35.6 -64.0 75.3-165.5 6.8 34.8 7.5 97 100 A D S S+ 0 0 103 1,-0.2 -1,-0.2 -2,-0.1 -70,-0.0 0.168 115.4 65.9-118.2 19.3 4.9 35.5 10.8 98 101 A R + 0 0 89 -3,-0.4 2,-0.3 24,-0.1 24,-0.2 -0.440 65.8 160.4-135.3 63.6 2.5 32.6 11.2 99 102 A V E - e 0 122A 0 22,-3.0 24,-2.5 -3,-0.2 25,-1.3 -0.647 30.3-152.8 -88.1 135.0 4.8 29.6 11.8 100 103 A V E -de 29 124A 0 -72,-2.4 -70,-3.4 -2,-0.3 2,-0.4 -0.947 17.5-152.5-101.3 123.0 3.8 26.4 13.4 101 104 A L E -de 30 125A 0 23,-2.4 25,-3.3 -2,-0.6 2,-0.5 -0.828 11.7-170.3 -94.5 137.5 6.8 24.7 15.0 102 105 A V E +de 31 126A 0 -72,-3.1 -70,-2.8 -2,-0.4 2,-0.3 -0.989 24.5 178.3-126.3 114.7 6.9 20.9 15.4 103 106 A V E -de 32 127A 0 23,-2.6 25,-1.5 -2,-0.5 2,-0.3 -0.890 23.3-179.1-134.4 154.9 9.8 20.0 17.6 104 107 A H E >> - e 0 128A 0 -72,-1.6 3,-2.2 -2,-0.3 4,-0.6 -0.993 58.2 -34.3-143.1 142.6 11.6 17.1 19.3 105 108 A D H >> S- e 0 130A 16 24,-1.8 4,-1.6 23,-0.7 3,-1.1 -0.126 132.7 -1.3 52.9-128.1 14.7 16.8 21.5 106 109 A W H 3> S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.776 130.7 66.2 -69.4 -20.9 17.3 19.4 20.6 107 110 A G H <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.815 102.4 49.7 -62.9 -29.4 15.0 20.6 17.9 108 111 A S H < S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.927 107.5 51.1 -61.5 -45.4 9.9 31.0 19.6 116 119 A R H >< S+ 0 0 62 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.893 115.1 44.4 -56.8 -41.1 10.7 33.0 22.7 117 120 A R H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.607 127.2 29.2 -80.3 -15.9 12.9 35.3 20.6 118 121 A H T X< S+ 0 0 52 -4,-1.3 3,-2.4 -3,-0.5 4,-0.2 -0.166 74.3 149.1-135.3 46.6 10.3 35.6 17.8 119 122 A R G X + 0 0 102 -3,-0.7 3,-1.4 1,-0.3 -1,-0.1 0.754 66.5 61.2 -59.2 -31.1 7.1 35.1 19.7 120 123 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.1 0.652 103.8 52.0 -71.7 -11.8 5.0 37.3 17.4 121 124 A R G < S+ 0 0 52 -3,-2.4 -22,-3.0 -6,-0.2 2,-0.7 0.438 87.5 96.4-102.1 1.5 5.7 35.0 14.4 122 125 A V E < +e 99 0A 3 -3,-1.4 -22,-0.2 -4,-0.2 3,-0.1 -0.850 41.6 176.7-103.6 112.7 4.7 31.8 16.2 123 126 A Q E - 0 0 23 -24,-2.5 2,-0.3 -2,-0.7 -23,-0.2 0.785 69.3 -19.9 -79.8 -31.8 1.2 30.6 15.4 124 127 A G E -e 100 0A 0 -25,-1.3 -23,-2.4 109,-0.1 2,-0.4 -0.975 54.0-137.2-172.5 160.0 1.5 27.3 17.4 125 128 A I E -ef 101 235A 1 109,-1.9 111,-2.5 -2,-0.3 2,-0.5 -0.973 10.7-172.9-133.7 117.5 3.9 24.9 18.9 126 129 A A E +ef 102 236A 0 -25,-3.3 -23,-2.6 -2,-0.4 2,-0.3 -0.948 21.2 173.1-105.3 129.9 3.7 21.1 18.8 127 130 A Y E +ef 103 237A 0 109,-2.8 111,-2.8 -2,-0.5 2,-0.3 -0.964 15.3 178.4-139.5 154.7 6.3 19.3 20.9 128 131 A M E -e 104 0A 0 -25,-1.5 -23,-0.7 -2,-0.3 111,-0.1 -0.966 69.1 -0.4-153.0 144.3 7.2 15.9 22.1 129 132 A E E S+ 0 0 1 109,-0.4 -24,-1.8 -2,-0.3 2,-0.2 0.897 94.1 165.9 42.2 58.3 10.0 14.3 24.1 130 133 A A E -e 105 0A 0 -26,-0.2 2,-1.1 -22,-0.1 -1,-0.2 -0.517 55.2-113.4-104.9 169.0 11.5 17.8 24.5 131 134 A I + 0 0 4 -26,-0.8 115,-0.0 -2,-0.2 -27,-0.0 -0.768 49.2 163.2-100.9 86.7 14.0 19.6 26.6 132 135 A A - 0 0 0 -2,-1.1 -1,-0.2 1,-0.2 96,-0.1 0.642 58.5 -9.2 -87.8 -14.8 11.4 21.7 28.2 133 136 A M S S- 0 0 20 -3,-0.1 -1,-0.2 76,-0.1 89,-0.1 -0.962 86.3 -72.2-166.4 164.3 13.5 22.9 31.2 134 137 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 76,-0.2 -0.390 57.6-167.2 -62.5 143.0 16.8 22.4 33.0 135 138 A I B -h 210 0B 4 74,-2.7 76,-2.2 -2,-0.1 77,-0.5 -0.773 18.3-123.0-127.8 176.6 16.7 19.1 34.8 136 139 A E >> - 0 0 98 74,-0.3 3,-1.9 -2,-0.2 4,-0.6 -0.713 37.3-102.9-111.8 164.5 18.7 17.2 37.5 137 140 A W G >4 S+ 0 0 57 1,-0.3 3,-1.4 -2,-0.2 12,-0.0 0.876 121.2 62.5 -60.3 -33.6 20.2 13.7 37.1 138 141 A A G 34 S+ 0 0 83 1,-0.3 -1,-0.3 7,-0.0 4,-0.1 0.703 101.9 52.7 -59.9 -21.4 17.3 12.3 39.1 139 142 A D G <4 S+ 0 0 29 -3,-1.9 -1,-0.3 2,-0.1 108,-0.2 0.561 87.6 97.5 -87.1 -13.7 15.0 13.5 36.3 140 143 A F S << S- 0 0 10 -3,-1.4 5,-0.1 -4,-0.6 105,-0.1 -0.636 93.9 -95.5 -80.0 135.4 17.1 11.8 33.6 141 144 A P >> - 0 0 31 0, 0.0 4,-0.7 0, 0.0 3,-0.6 -0.206 31.0-134.2 -56.3 137.1 15.6 8.4 32.6 142 145 A E H >> S+ 0 0 74 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.826 94.6 69.3 -64.1 -34.9 17.3 5.7 34.5 143 146 A Q H 34 S+ 0 0 134 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.886 117.8 19.9 -57.5 -40.6 17.9 3.3 31.6 144 147 A D H <> S+ 0 0 12 -3,-0.6 4,-2.8 1,-0.1 5,-0.3 0.324 92.5 107.2-114.7 12.1 20.5 5.6 29.9 145 148 A R H S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 110.2 47.0 -63.6 -44.0 25.6 6.3 29.5 148 151 A F H X S+ 0 0 12 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.862 109.4 53.9 -69.8 -32.4 24.8 9.9 29.3 149 152 A Q H < S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.931 108.9 50.5 -62.9 -38.8 27.0 10.6 32.3 150 153 A A H >< S+ 0 0 28 -4,-2.2 3,-1.4 1,-0.2 6,-0.5 0.893 105.1 55.2 -66.1 -38.3 29.7 8.8 30.4 151 154 A F H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.898 105.5 54.6 -55.3 -40.1 29.1 10.9 27.3 152 155 A R T 3< S+ 0 0 56 -4,-1.7 -1,-0.3 -3,-0.1 2,-0.3 -0.120 106.7 67.1 -85.3 29.9 29.6 14.0 29.6 153 156 A S S X S- 0 0 40 -3,-1.4 3,-2.3 -5,-0.1 4,-0.3 -0.855 107.3 -86.3-136.2 177.3 33.0 12.6 30.6 154 157 A Q T > S+ 0 0 169 1,-0.3 3,-0.6 -2,-0.3 4,-0.4 0.694 121.3 70.4 -63.2 -13.4 36.3 12.0 28.9 155 158 A A T 3> S+ 0 0 45 -5,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.619 75.6 86.6 -76.7 -10.2 34.9 8.6 27.8 156 159 A G H <>>S+ 0 0 0 -3,-2.3 4,-2.9 -6,-0.5 5,-0.6 0.846 80.0 57.8 -60.6 -35.5 32.5 10.3 25.4 157 160 A E H <>>S+ 0 0 45 -3,-0.6 5,-1.9 -4,-0.3 4,-1.0 0.946 109.9 42.5 -66.9 -41.5 34.9 10.5 22.5 158 161 A E H 4>S+ 0 0 119 -4,-0.4 5,-1.9 3,-0.2 -1,-0.2 0.959 115.5 50.3 -68.7 -41.5 35.5 6.8 22.3 159 162 A L H <5S+ 0 0 41 -4,-2.1 6,-2.3 3,-0.2 -2,-0.2 0.943 129.8 16.4 -57.5 -45.8 31.9 6.0 22.9 160 163 A V H X5S+ 0 0 0 -4,-2.9 4,-1.6 4,-0.2 -3,-0.2 0.932 128.8 40.4-101.5 -53.3 30.7 8.3 20.2 161 164 A L T <> + 0 0 14 -6,-2.3 4,-2.5 1,-0.2 5,-2.2 0.803 65.5 56.3 -61.9 -32.8 27.1 4.8 20.2 166 169 A F H 4>S+ 0 0 8 3,-0.2 5,-2.3 1,-0.2 -1,-0.2 0.972 116.6 34.5 -68.9 -46.3 24.5 7.5 19.9 167 170 A V H 45S+ 0 0 0 3,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.888 128.2 36.1 -65.9 -43.1 23.4 6.5 16.4 168 171 A E H <5S+ 0 0 74 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.745 132.6 16.4 -93.4 -19.7 23.9 2.7 16.9 169 172 A Q T X5S+ 0 0 100 -4,-2.5 4,-1.7 -5,-0.3 -3,-0.2 0.741 125.4 42.2-116.5 -52.6 22.8 2.1 20.5 170 173 A V H >44 S+ 0 0 47 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.891 113.2 61.4 -63.0 -29.5 17.4 2.0 18.4 173 176 A G H 3< S+ 0 0 43 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.691 105.0 48.0 -71.9 -13.7 17.3 1.5 22.1 174 177 A L T << S+ 0 0 12 -3,-1.4 96,-1.8 -4,-1.0 95,-1.3 0.021 96.6 82.9-115.4 28.1 14.8 4.3 22.4 175 178 A I < - 0 0 14 -3,-1.6 4,-0.1 94,-0.2 96,-0.1 -1.000 66.4-152.7-125.4 127.1 12.5 3.1 19.6 176 179 A L S S+ 0 0 98 -2,-0.4 -1,-0.1 94,-0.1 98,-0.1 0.823 75.5 55.7 -77.9 -32.8 10.0 0.4 20.6 177 180 A R S S- 0 0 77 1,-0.1 2,-0.2 96,-0.1 -2,-0.0 -0.699 97.0 -93.6 -98.0 153.2 9.6 -1.3 17.2 178 181 A P - 0 0 116 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.415 36.7-134.2 -67.5 133.4 12.4 -2.7 15.1 179 182 A L - 0 0 34 -2,-0.2 2,-0.1 -4,-0.1 -4,-0.0 -0.544 20.3-119.2 -79.5 149.4 13.9 -0.5 12.4 180 183 A S > - 0 0 49 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.353 26.4-104.9 -83.2 169.4 14.6 -1.7 8.9 181 184 A E H > S+ 0 0 177 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.908 122.7 48.1 -58.5 -45.4 17.9 -1.9 7.2 182 185 A A H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 109.4 52.9 -65.8 -38.6 17.1 1.1 5.1 183 186 A E H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.957 112.0 44.4 -64.4 -47.0 15.9 3.1 8.1 184 187 A M H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.890 110.0 56.6 -63.3 -37.3 19.1 2.5 10.0 185 188 A A H X S+ 0 0 41 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.921 106.3 50.1 -60.7 -40.9 21.1 3.3 6.9 186 189 A A H < S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.1 45.7 -63.8 -38.2 19.5 6.7 6.6 187 190 A Y H < S+ 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 117.2 43.5 -74.3 -30.5 20.2 7.5 10.2 188 191 A R H >< S+ 0 0 71 -4,-2.6 3,-2.7 -5,-0.2 -2,-0.2 0.777 90.5 88.6 -83.0 -20.9 23.8 6.3 10.0 189 192 A E G >< S+ 0 0 117 -4,-2.0 3,-1.2 1,-0.3 4,-0.2 0.814 86.5 48.1 -51.4 -44.9 24.6 7.9 6.7 190 193 A P G 3 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.620 120.2 42.4 -67.8 -7.0 25.8 11.3 8.1 191 194 A F G < S+ 0 0 1 -3,-2.7 -2,-0.2 -4,-0.1 7,-0.1 -0.059 71.2 117.7-132.3 26.3 28.0 9.4 10.6 192 195 A L < + 0 0 107 -3,-1.2 2,-0.4 5,-0.1 -1,-0.1 0.841 65.8 72.3 -68.0 -33.7 29.5 6.5 8.6 193 196 A A S S- 0 0 60 -4,-0.2 5,-0.2 -3,-0.1 4,-0.1 -0.701 83.8-126.7 -89.1 131.7 33.0 7.8 9.2 194 197 A A S S+ 0 0 67 -2,-0.4 3,-0.3 3,-0.1 2,-0.3 -0.334 72.9 32.8 -65.0 157.1 34.6 7.5 12.6 195 198 A G S > S- 0 0 27 -34,-2.3 3,-2.4 1,-0.2 4,-0.3 -0.669 119.4 -1.9 96.9-147.9 36.0 10.7 14.2 196 199 A E G > S+ 0 0 68 1,-0.3 3,-1.8 -2,-0.3 -1,-0.2 0.683 114.3 76.4 -60.7 -21.9 34.8 14.2 13.9 197 200 A A G 3 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.802 101.1 45.8 -51.8 -33.9 32.0 13.4 11.5 198 201 A R G X> S+ 0 0 23 -3,-2.4 3,-1.5 -5,-0.2 4,-0.6 0.398 81.4 105.5 -89.5 -2.8 30.2 12.1 14.6 199 202 A R H X> S+ 0 0 7 -3,-1.8 4,-3.3 1,-0.3 3,-1.6 0.845 70.6 61.1 -52.3 -39.5 31.0 15.1 16.9 200 203 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.859 101.0 56.1 -55.4 -32.0 27.5 16.6 16.8 201 204 A T H <4 S+ 0 0 0 -3,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.646 115.0 37.7 -80.2 -10.5 26.2 13.5 18.3 202 205 A L H X S+ 0 0 0 -4,-1.9 3,-2.0 -5,-0.3 4,-0.7 0.958 103.4 44.3 -61.7 -52.1 24.7 17.4 22.0 205 208 A P H >4 S+ 0 0 0 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.837 110.6 58.6 -61.5 -26.8 24.5 15.3 25.1 206 209 A R H 3< S+ 0 0 50 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.623 104.2 52.3 -73.1 -11.9 27.2 17.4 26.6 207 210 A Q H << S+ 0 0 25 -3,-2.0 -1,-0.2 -4,-0.6 -3,-0.1 0.567 76.3 120.7 -99.1 -9.3 25.0 20.4 26.1 208 211 A I S << S- 0 0 12 -4,-0.7 2,-1.8 -3,-0.7 5,-0.1 -0.337 73.5-118.6 -62.8 130.2 21.9 19.1 27.9 209 212 A P + 0 0 0 0, 0.0 -74,-2.7 0, 0.0 2,-0.4 -0.492 59.2 148.7 -72.8 89.7 21.1 21.5 30.7 210 213 A I B > -hI 135 213B 0 3,-1.9 3,-1.6 -2,-1.8 -74,-0.3 -0.997 64.1 -6.6-128.3 131.0 21.5 18.9 33.5 211 214 A A T 3 S- 0 0 47 -76,-2.2 -1,-0.2 -2,-0.4 -75,-0.1 0.835 128.1 -57.2 53.0 37.6 22.6 19.6 37.1 212 215 A G T 3 S+ 0 0 39 -77,-0.5 -1,-0.3 1,-0.1 6,-0.1 0.446 99.5 145.1 83.0 -1.4 23.4 23.2 36.2 213 216 A T B < +I 210 0B 85 -3,-1.6 -3,-1.9 1,-0.2 -1,-0.1 -0.975 54.6 28.5-128.0 139.9 25.9 22.6 33.4 214 217 A P S > S- 0 0 18 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.537 79.2-158.5 -74.1 142.2 26.5 23.9 30.7 215 218 A A H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.793 85.0 57.3 -66.4 -26.2 25.4 27.2 32.4 216 219 A D H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 111.2 42.1 -70.5 -43.4 24.6 29.0 29.1 217 220 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.863 111.5 56.1 -70.0 -33.6 22.1 26.4 28.0 218 221 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.949 109.4 47.4 -58.5 -43.2 20.7 26.1 31.5 219 222 A A H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 112.9 47.4 -63.1 -44.8 20.1 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