==== 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 09-SEP-99 1D07 . 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) . 11023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 68.9 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 28.3 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 1 0 1 2 1 1 0 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 0.000 360.0 360.0 360.0 120.0 7.8 3.6 5.5 2 5 A A + 0 0 31 2,-0.1 184,-0.1 41,-0.0 41,-0.1 0.458 360.0 111.3 -96.6 -8.7 11.6 4.1 5.0 3 6 A K S S- 0 0 152 1,-0.1 180,-0.0 40,-0.0 3,-0.0 -0.484 72.7-117.1 -69.3 134.1 11.1 6.5 2.1 4 7 A P - 0 0 70 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.280 30.3-105.4 -64.4 159.0 12.1 10.1 2.8 5 8 A F S S- 0 0 40 34,-0.1 39,-0.1 2,-0.0 37,-0.1 -0.790 75.7 -42.0 -87.4 114.6 9.4 12.8 2.6 6 9 A G S S- 0 0 32 -2,-0.7 2,-0.3 37,-0.1 15,-0.1 -0.374 93.4 -57.7 68.5-148.0 9.9 14.9 -0.5 7 10 A E - 0 0 38 15,-0.1 15,-0.5 -2,-0.0 2,-0.3 -0.928 46.8-102.0-134.3 159.9 13.4 15.9 -1.5 8 11 A K - 0 0 63 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.646 29.9-170.4 -80.7 135.4 16.3 17.8 0.0 9 12 A K E -A 20 0A 81 11,-3.6 11,-3.2 -2,-0.3 2,-0.3 -0.842 11.4-145.2-111.9 160.4 17.1 21.4 -1.0 10 13 A F E -A 19 0A 99 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.937 14.5-177.1-127.7 148.7 20.3 23.2 0.0 11 14 A I E -A 18 0A 46 7,-2.1 7,-2.8 -2,-0.3 2,-0.5 -0.996 29.9-117.6-144.6 138.0 21.2 26.8 0.9 12 15 A E + 0 0 112 -2,-0.3 2,-0.4 5,-0.3 -2,-0.0 -0.633 35.7 177.4 -79.1 125.1 24.5 28.4 1.8 13 16 A I > - 0 0 11 -2,-0.5 3,-1.1 1,-0.1 76,-0.1 -0.967 68.6 -18.7-134.7 111.4 24.5 29.8 5.3 14 17 A K T 3 S- 0 0 114 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.821 126.2 -57.2 61.8 32.1 27.6 31.5 6.9 15 18 A G T 3 S+ 0 0 49 1,-0.0 -1,-0.3 0, 0.0 -3,-0.1 0.673 125.0 104.2 74.1 23.3 29.6 29.7 4.2 16 19 A R < - 0 0 51 -3,-1.1 51,-0.5 -5,-0.1 -4,-0.1 0.460 69.4-137.7-125.2 0.1 28.2 26.4 5.4 17 20 A R - 0 0 122 1,-0.1 50,-2.3 49,-0.1 2,-0.3 0.891 20.1-158.9 43.3 103.2 25.5 24.9 3.1 18 21 A M E -A 11 0A 0 -7,-2.8 -7,-2.1 48,-0.2 2,-0.3 -0.830 8.4-132.7-110.9 149.0 22.6 23.4 5.1 19 22 A A E +A 10 0A 0 40,-0.3 40,-2.5 -2,-0.3 2,-0.3 -0.749 32.2 160.6-100.0 144.0 20.1 20.8 3.8 20 23 A Y E -AB 9 58A 26 -11,-3.2 -11,-3.6 -2,-0.3 2,-0.4 -0.994 36.5-122.4-155.4 167.2 16.3 21.0 4.2 21 24 A I E + B 0 57A 6 36,-2.2 36,-2.2 -2,-0.3 2,-0.3 -0.932 26.6 174.9-107.5 136.8 12.9 19.9 3.1 22 25 A D E + B 0 56A 23 -15,-0.5 2,-0.5 -2,-0.4 34,-0.3 -0.819 8.2 169.4-143.3 96.7 10.4 22.6 1.9 23 26 A E E - B 0 55A 69 32,-4.1 32,-4.1 -2,-0.3 2,-0.1 -0.947 41.8 -4.2-125.5 136.5 7.0 21.4 0.5 24 27 A G S S- 0 0 53 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.393 74.9 -81.6 92.4-167.2 3.8 23.2 -0.4 25 28 A T S S+ 0 0 122 28,-0.3 2,-0.1 -2,-0.1 -2,-0.0 -0.849 73.9 43.2-129.9 168.2 2.8 26.9 -0.0 26 29 A G S S- 0 0 51 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.465 98.0 -0.6 99.4-167.0 1.4 29.1 2.7 27 30 A D S S- 0 0 66 -2,-0.1 27,-3.1 25,-0.1 2,-0.1 -0.395 84.1-110.0 -62.4 140.7 2.3 29.5 6.4 28 31 A P E -c 54 0A 1 0, 0.0 72,-2.0 0, 0.0 2,-0.5 -0.363 17.1-155.1 -72.7 146.7 5.1 27.1 7.3 29 32 A I E -cd 55 100A 0 25,-3.1 27,-2.1 70,-0.2 2,-0.6 -0.960 25.0-156.8-119.2 103.3 4.8 24.1 9.6 30 33 A L E -cd 56 101A 1 70,-2.4 72,-3.3 -2,-0.5 2,-0.5 -0.799 11.4-170.1 -96.0 111.0 8.3 23.8 10.8 31 34 A F E -cd 57 102A 0 25,-2.8 27,-0.8 -2,-0.6 2,-0.5 -0.897 5.9-169.0-104.5 125.3 9.5 20.4 12.1 32 35 A Q E -cd 58 103A 0 70,-2.5 72,-1.1 -2,-0.5 75,-0.2 -0.908 4.8-156.4-124.7 115.7 12.9 20.2 13.9 33 36 A H - 0 0 0 -2,-0.5 2,-0.1 25,-0.5 6,-0.1 -0.147 7.5-159.2 -66.4 170.9 14.8 17.1 14.8 34 37 A G > + 0 0 0 72,-0.2 3,-1.4 4,-0.1 71,-0.1 -0.324 43.2 7.9-128.6-145.5 17.4 16.7 17.5 35 38 A N T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.672 122.7 -9.2 -91.6 138.5 20.2 14.3 18.3 36 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.587 116.9 87.9-107.1 48.6 21.3 12.0 16.5 37 40 A T < - 0 0 1 -3,-1.4 27,-0.3 1,-0.1 2,-0.2 -0.118 50.7-159.0-101.2 178.1 18.5 12.4 14.0 38 41 A S > - 0 0 8 25,-0.1 3,-1.8 21,-0.1 4,-0.2 -0.805 53.9 -64.5-145.3-166.1 17.8 14.5 10.8 39 42 A S G > S+ 0 0 2 1,-0.3 3,-2.6 -2,-0.2 4,-0.2 0.853 120.4 79.2 -56.5 -30.4 14.7 15.7 8.8 40 43 A Y G > S+ 0 0 20 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.753 75.6 74.7 -46.5 -31.4 14.2 11.9 8.1 41 44 A L G < S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.3 3,-0.3 0.726 97.9 45.1 -59.8 -24.5 12.7 11.6 11.5 42 45 A W G X> S+ 0 0 0 -3,-2.6 4,-2.4 -4,-0.2 3,-1.9 0.376 76.3 113.2-101.8 6.4 9.5 13.3 10.4 43 46 A R T <4 S+ 0 0 5 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.748 84.3 38.4 -54.7 -28.5 9.0 11.4 7.0 44 47 A N T 34 S+ 0 0 40 -3,-0.3 -1,-0.3 -4,-0.2 236,-0.1 0.466 118.5 48.2-106.0 4.3 5.8 9.6 8.1 45 48 A I T X4 S+ 0 0 1 -3,-1.9 3,-2.0 2,-0.1 4,-0.3 0.840 98.7 62.7-103.0 -49.7 4.3 12.5 10.1 46 49 A M G >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 4,-0.3 0.810 91.5 68.0 -46.9 -43.9 4.7 15.4 7.6 47 50 A P G > S+ 0 0 56 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.787 91.3 63.0 -48.9 -30.1 2.4 13.7 5.0 48 51 A H G < S+ 0 0 62 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.685 100.3 53.3 -69.9 -19.4 -0.5 14.2 7.5 49 52 A C G X S+ 0 0 0 -3,-2.4 3,-2.3 -4,-0.3 4,-0.4 0.310 77.1 139.2 -98.5 4.2 -0.1 18.0 7.1 50 53 A A T < S+ 0 0 60 -3,-1.4 4,-0.1 1,-0.3 -26,-0.1 -0.180 75.4 11.5 -49.3 138.8 -0.2 18.0 3.3 51 54 A G T 3 S+ 0 0 84 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.466 105.3 96.2 68.5 2.3 -2.2 21.0 2.0 52 55 A L S < S- 0 0 32 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.537 98.5 -57.9 -97.9 -6.8 -2.2 22.6 5.5 53 56 A G S S- 0 0 9 -4,-0.4 2,-0.8 -27,-0.1 -2,-0.3 -0.995 80.9 -33.0 159.1-166.2 0.7 24.8 4.9 54 57 A R E - c 0 28A 40 -27,-3.1 -25,-3.1 -2,-0.3 2,-0.6 -0.772 56.5-147.0 -92.4 112.9 4.3 25.0 3.9 55 58 A L E +Bc 23 29A 6 -32,-4.1 -32,-4.1 -2,-0.8 2,-0.4 -0.726 23.2 175.7 -92.1 118.8 6.0 21.9 5.2 56 59 A I E +Bc 22 30A 0 -27,-2.1 -25,-2.8 -2,-0.6 2,-0.4 -0.965 14.8 177.2-127.6 130.0 9.6 22.5 6.2 57 60 A A E -Bc 21 31A 0 -36,-2.2 -36,-2.2 -2,-0.4 2,-0.2 -0.913 15.8-159.9-138.8 110.0 12.2 20.2 7.8 58 61 A C E -Bc 20 32A 0 -27,-0.8 2,-0.6 -2,-0.4 -25,-0.5 -0.602 14.0-134.5 -92.6 146.0 15.7 21.4 8.4 59 62 A D - 0 0 0 -40,-2.5 -40,-0.3 -2,-0.2 4,-0.1 -0.893 29.1-123.4 -97.6 119.2 18.9 19.5 9.0 60 63 A L > - 0 0 1 -2,-0.6 3,-2.0 1,-0.1 6,-0.3 -0.138 43.8 -83.2 -56.0 155.2 20.9 20.9 11.9 61 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.1 21,-0.1 -1,-0.1 -0.379 120.3 19.2 -66.3 143.1 24.5 21.8 10.9 62 65 A G T 3 S+ 0 0 0 5,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.413 116.2 92.2 76.7 -2.6 26.8 18.8 10.9 63 66 A M S X S- 0 0 0 -3,-2.0 3,-2.0 4,-0.2 -1,-0.3 -0.759 84.6 -9.7-121.4 167.3 23.7 16.7 10.8 64 67 A G T 3 S- 0 0 9 -27,-0.3 -26,-0.1 1,-0.3 -44,-0.0 -0.023 127.7 -25.7 45.2-137.5 21.7 15.1 8.0 65 68 A D T 3 S+ 0 0 68 -46,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.365 110.1 117.5 -88.7 9.9 22.7 16.3 4.5 66 69 A S S < S- 0 0 6 -3,-2.0 -48,-0.2 -6,-0.3 -49,-0.1 -0.490 75.4 -94.5 -72.8 146.4 24.0 19.5 6.1 67 70 A D - 0 0 52 -50,-2.3 -5,-2.3 -51,-0.5 -4,-0.2 -0.121 37.0-115.5 -53.7 149.9 27.7 20.3 5.8 68 71 A K - 0 0 64 -7,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.576 29.9-111.7 -82.9 155.1 30.1 19.4 8.6 69 72 A L - 0 0 4 -2,-0.2 3,-0.1 -8,-0.1 7,-0.1 -0.679 38.2-125.4 -84.6 143.2 31.9 22.1 10.5 70 73 A D S S+ 0 0 63 -2,-0.3 2,-0.1 1,-0.3 3,-0.0 -0.983 88.8 27.8-145.5 130.1 35.6 22.4 9.9 71 74 A P S S- 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.446 89.8-166.3 -75.9 145.0 37.9 22.4 11.8 72 75 A S + 0 0 29 -3,-0.1 124,-0.1 -2,-0.1 125,-0.1 -0.711 19.8 138.4-101.8 154.2 35.8 20.3 14.3 73 76 A G > - 0 0 15 -2,-0.3 3,-1.9 123,-0.1 0, 0.0 -0.934 67.3 -65.7-167.1-176.8 36.7 19.7 17.9 74 77 A P T 3 S+ 0 0 77 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.690 129.8 53.8 -57.2 -25.9 35.4 19.4 21.4 75 78 A E T 3 S+ 0 0 174 2,-0.0 3,-0.5 3,-0.0 2,-0.2 0.412 93.1 93.8 -93.7 4.4 34.5 23.1 21.3 76 79 A R S < S+ 0 0 57 -3,-1.9 -4,-0.1 1,-0.2 0, 0.0 -0.579 78.7 22.7 -93.1 162.5 32.5 22.8 18.1 77 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.1 5,-0.1 0.672 75.6 157.6 64.1 22.5 28.7 22.3 17.8 78 81 A A >> - 0 0 29 -3,-0.5 4,-1.7 1,-0.1 3,-0.7 -0.269 60.3 -95.8 -63.7 168.9 27.8 23.7 21.2 79 82 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.916 124.6 55.4 -51.8 -49.9 24.2 25.0 21.5 80 83 A A H 3> S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.831 107.7 50.8 -55.7 -33.2 25.1 28.6 20.7 81 84 A E H <> S+ 0 0 40 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.843 109.8 47.6 -77.3 -38.2 26.8 27.5 17.4 82 85 A H H X S+ 0 0 3 -4,-1.7 4,-3.0 -3,-0.3 5,-0.2 0.916 111.5 51.6 -64.9 -45.5 23.8 25.4 16.2 83 86 A R H X S+ 0 0 51 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.901 105.9 54.6 -62.8 -35.2 21.4 28.3 17.0 84 87 A D H X S+ 0 0 88 -4,-1.5 4,-1.1 -5,-0.3 -1,-0.2 0.893 114.1 40.9 -68.7 -31.4 23.5 30.8 15.1 85 88 A Y H X S+ 0 0 21 -4,-1.2 4,-1.7 -3,-0.2 -2,-0.2 0.875 117.6 47.9 -78.3 -35.9 23.3 28.5 12.0 86 89 A L H X S+ 0 0 3 -4,-3.0 4,-3.3 2,-0.2 5,-0.2 0.922 107.9 54.1 -70.2 -44.0 19.6 27.7 12.5 87 90 A D H X S+ 0 0 38 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.903 111.9 45.2 -53.7 -46.6 18.5 31.3 13.1 88 91 A A H X S+ 0 0 35 -4,-1.1 4,-1.9 -5,-0.3 -1,-0.2 0.849 112.9 51.2 -72.0 -31.2 20.1 32.3 9.8 89 92 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.947 110.9 46.8 -67.9 -46.4 18.6 29.3 8.0 90 93 A W H <>S+ 0 0 0 -4,-3.3 5,-0.6 1,-0.2 -2,-0.2 0.817 112.8 51.7 -66.6 -26.8 15.1 30.1 9.3 91 94 A E H ><5S+ 0 0 121 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.2 0.881 107.8 51.0 -70.4 -42.1 15.6 33.7 8.3 92 95 A A H 3<5S+ 0 0 52 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.787 100.8 63.3 -68.9 -25.7 16.7 32.9 4.8 93 96 A L T 3<5S- 0 0 9 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.529 100.1-134.3 -77.3 -5.8 13.7 30.7 4.3 94 97 A D T < 5 + 0 0 124 -3,-1.4 -3,-0.1 -4,-0.1 -2,-0.1 0.981 35.0 173.6 46.5 77.9 11.3 33.7 4.7 95 98 A L < - 0 0 5 -5,-0.6 3,-0.4 1,-0.2 2,-0.1 0.733 24.1-146.5 -87.5 -21.4 8.8 32.0 7.1 96 99 A G - 0 0 29 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.439 35.6 -65.4 83.4-162.6 6.6 34.9 7.9 97 100 A D S S+ 0 0 100 1,-0.2 -1,-0.2 -2,-0.1 -70,-0.0 0.064 114.9 71.0-118.5 22.1 4.9 35.6 11.2 98 101 A R + 0 0 92 -3,-0.4 2,-0.4 24,-0.1 24,-0.2 -0.446 65.7 157.2-131.9 58.3 2.4 32.6 11.4 99 102 A V E - e 0 122A 0 22,-3.1 25,-1.5 -3,-0.2 24,-1.2 -0.641 31.5-152.9 -92.0 132.5 4.7 29.7 12.1 100 103 A V E -de 29 124A 0 -72,-2.0 -70,-2.4 -2,-0.4 2,-0.5 -0.914 16.4-147.1-100.1 130.8 3.7 26.5 13.7 101 104 A L E -de 30 125A 0 23,-3.4 25,-4.6 -2,-0.5 2,-0.5 -0.872 14.6-173.1-103.7 131.3 6.5 24.8 15.4 102 105 A V E +de 31 126A 0 -72,-3.3 -70,-2.5 -2,-0.5 2,-0.3 -0.971 24.7 179.5-119.2 106.5 6.8 20.9 15.7 103 106 A V E +de 32 127A 0 23,-2.7 25,-1.3 -2,-0.5 2,-0.3 -0.823 23.6 176.9-129.4 155.0 9.7 20.0 18.0 104 107 A H E >> - e 0 128A 0 -72,-1.1 3,-2.1 -2,-0.3 4,-0.7 -0.974 59.9 -37.3-146.6 135.8 11.6 17.1 19.5 105 108 A D H >> S+ e 0 130A 16 24,-1.8 4,-1.7 23,-0.6 26,-0.7 -0.034 132.8 1.9 48.1-116.4 14.7 16.8 21.8 106 109 A W H 3> S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.800 130.2 65.3 -78.7 -16.4 17.3 19.5 20.8 107 110 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 -75,-0.2 -2,-0.3 0.778 103.6 47.4 -61.6 -34.4 14.8 20.7 18.2 108 111 A S H < S+ 0 0 51 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.955 112.8 46.3 -54.9 -49.4 10.6 33.1 22.8 117 120 A R H 3< S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 127.1 29.7 -70.3 -22.2 12.8 35.5 20.9 118 121 A H T >< S+ 0 0 50 -4,-1.9 3,-2.6 -5,-0.2 -1,-0.3 -0.175 73.5 146.9-126.4 40.6 10.2 35.6 18.1 119 122 A R G X + 0 0 109 -3,-1.2 3,-1.5 1,-0.3 -1,-0.1 0.758 67.8 63.1 -50.2 -36.5 7.0 35.1 20.1 120 123 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.678 102.0 50.0 -60.9 -23.0 5.0 37.4 17.7 121 124 A 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166.4 11.5 17.7 24.8 131 134 A I + 0 0 7 -26,-0.7 -19,-0.1 -2,-0.2 115,-0.0 -0.836 47.2 163.6 -94.9 94.3 13.9 19.6 26.9 132 135 A A - 0 0 0 -2,-1.0 -1,-0.2 1,-0.2 96,-0.1 0.701 60.5 -8.5 -89.1 -23.8 11.3 21.8 28.6 133 136 A M S S- 0 0 21 -3,-0.2 -1,-0.2 76,-0.1 89,-0.1 -0.973 85.3 -74.2-165.2 160.4 13.5 22.9 31.5 134 137 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 76,-0.2 -0.423 57.2-169.4 -63.5 147.3 16.9 22.5 33.2 135 138 A I B -h 210 0B 8 74,-2.3 76,-2.3 -2,-0.1 77,-0.5 -0.739 19.3-123.3-133.8 174.7 17.0 19.2 35.1 136 139 A E >> - 0 0 104 74,-0.3 3,-1.4 -2,-0.2 4,-0.7 -0.710 38.8-100.4-115.2 172.4 19.0 17.2 37.6 137 140 A W G >4 S+ 0 0 61 1,-0.3 3,-2.2 -2,-0.2 -1,-0.1 0.926 120.3 63.5 -62.3 -43.5 20.4 13.7 37.3 138 141 A A G 34 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.681 102.6 51.0 -47.9 -25.4 17.5 12.3 39.4 139 142 A D G <4 S+ 0 0 30 -3,-1.4 -1,-0.3 2,-0.1 108,-0.2 0.631 89.1 99.6 -90.0 -16.2 15.2 13.4 36.6 140 143 A F S << S- 0 0 9 -3,-2.2 5,-0.1 -4,-0.7 105,-0.1 -0.505 93.1 -89.3 -74.8 140.5 17.2 11.8 33.8 141 144 A P > - 0 0 24 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.266 36.6-136.0 -50.9 125.9 15.9 8.4 32.6 142 145 A E G > S+ 0 0 72 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.811 94.2 60.7 -56.5 -44.2 17.4 5.7 34.7 143 146 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.694 118.0 30.0 -63.5 -22.4 18.4 3.2 32.0 144 147 A D G <> S+ 0 0 12 -3,-1.2 4,-2.6 2,-0.1 -1,-0.3 0.244 89.4 104.9-122.5 6.3 20.7 5.6 30.3 145 148 A R H <> S+ 0 0 71 -3,-1.1 4,-2.4 -4,-0.5 5,-0.2 0.943 83.9 40.8 -58.3 -54.6 21.9 7.8 33.2 146 149 A D H > S+ 0 0 123 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.851 115.3 54.2 -71.9 -24.6 25.4 6.5 33.7 147 150 A L H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 110.2 44.9 -69.5 -40.7 25.9 6.4 29.9 148 151 A F H X S+ 0 0 15 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.858 111.3 55.1 -71.5 -30.4 24.8 10.0 29.5 149 152 A Q H < S+ 0 0 61 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.856 107.8 49.6 -64.3 -34.9 27.1 10.8 32.4 150 153 A A H >< S+ 0 0 27 -4,-1.7 3,-1.4 1,-0.2 6,-0.6 0.844 102.5 58.9 -75.9 -31.3 30.0 9.1 30.6 151 154 A F H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.904 103.4 55.5 -59.8 -37.5 29.3 11.1 27.3 152 155 A R T 3< S+ 0 0 54 -4,-1.3 -1,-0.3 -5,-0.1 2,-0.3 -0.106 106.6 66.1 -86.8 35.3 29.9 14.1 29.5 153 156 A S S X S- 0 0 43 -3,-1.4 3,-2.3 -2,-0.1 4,-0.3 -0.886 106.9 -86.7-141.1 175.0 33.3 12.7 30.5 154 157 A Q T >> S+ 0 0 174 1,-0.3 3,-0.7 -2,-0.3 4,-0.5 0.680 123.2 68.3 -59.6 -15.6 36.6 11.9 28.7 155 158 A A H 3> S+ 0 0 43 -5,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.709 79.6 85.3 -74.7 -14.2 35.1 8.5 27.8 156 159 A G H <>>S+ 0 0 0 -3,-2.3 4,-2.0 -6,-0.6 5,-0.6 0.821 82.4 54.4 -55.2 -40.7 32.7 10.5 25.6 157 160 A E H <>>S+ 0 0 50 -3,-0.7 5,-1.5 -4,-0.3 4,-0.9 0.951 110.9 45.1 -65.1 -42.9 35.1 10.6 22.6 158 161 A E H <>S+ 0 0 118 -4,-0.5 5,-1.7 1,-0.2 4,-0.4 0.956 113.9 48.5 -66.2 -46.4 35.6 6.9 22.6 159 162 A L H <5S+ 0 0 39 -4,-2.5 6,-2.5 3,-0.2 -1,-0.2 0.923 127.8 19.6 -57.0 -43.6 31.9 6.0 22.9 160 163 A V H X5S+ 0 0 0 -4,-2.0 4,-1.5 4,-0.3 -3,-0.2 0.931 127.1 38.1-102.0 -57.7 30.7 8.4 20.2 161 164 A L T <> + 0 0 14 -6,-2.5 4,-3.1 1,-0.2 5,-2.0 0.855 65.6 55.8 -57.9 -40.9 27.1 4.8 20.3 166 169 A F H 4>S+ 0 0 9 3,-0.2 5,-2.1 1,-0.2 -1,-0.2 0.932 115.7 37.9 -61.1 -43.7 24.5 7.5 20.2 167 170 A V H 45S+ 0 0 0 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.891 127.5 33.6 -69.9 -42.7 23.5 6.5 16.7 168 171 A E H <5S+ 0 0 74 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.730 134.8 17.2 -94.6 -19.4 23.8 2.7 17.1 169 172 A Q T X5S+ 0 0 104 -4,-3.1 4,-1.8 -5,-0.3 -3,-0.2 0.757 124.6 45.2-117.7 -52.8 22.8 2.1 20.7 170 173 A V T 444 S+ 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.929 112.6 62.5 -60.9 -40.3 17.5 2.0 18.5 173 176 A G G 3< S+ 0 0 46 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.569 104.8 46.0 -61.7 -12.9 17.4 1.5 22.2 174 177 A L G < S+ 0 0 17 -3,-1.2 95,-2.1 -4,-0.5 96,-1.2 0.091 93.7 86.9-126.3 27.0 14.7 4.2 22.6 175 178 A I < - 0 0 14 -3,-1.8 4,-0.1 93,-0.2 96,-0.1 -0.994 66.5-147.5-120.9 130.5 12.4 3.1 19.8 176 179 A L S S+ 0 0 100 -2,-0.4 -1,-0.1 90,-0.1 91,-0.1 0.653 76.7 57.0 -80.1 -18.6 9.8 0.4 20.7 177 180 A R S S- 0 0 78 -5,-0.0 2,-0.4 1,-0.0 -2,-0.1 -0.828 95.8 -94.0-112.4 154.2 9.6 -1.3 17.3 178 181 A P - 0 0 119 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.490 40.5-135.4 -63.3 121.1 12.3 -2.9 15.2 179 182 A L - 0 0 34 -2,-0.4 2,-0.1 -4,-0.1 -4,-0.0 -0.447 20.6-117.2 -72.2 151.2 13.8 -0.5 12.7 180 183 A S > - 0 0 50 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.375 23.4-108.8 -84.7 166.9 14.3 -1.7 9.1 181 184 A E H > S+ 0 0 176 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.906 120.7 50.6 -64.2 -39.6 17.7 -1.9 7.5 182 185 A A H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 109.4 52.8 -67.1 -31.5 16.9 1.0 5.1 183 186 A E H > S+ 0 0 4 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.879 109.3 46.2 -72.1 -38.6 15.8 3.0 8.2 184 187 A M H X S+ 0 0 25 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.713 108.5 58.7 -76.0 -17.9 19.0 2.5 10.1 185 188 A A H X S+ 0 0 43 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.952 104.5 49.1 -71.8 -45.7 21.0 3.3 7.0 186 189 A A H < S+ 0 0 28 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.836 113.5 46.6 -63.1 -32.2 19.4 6.7 6.7 187 190 A Y H < S+ 0 0 3 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.866 117.4 42.7 -79.3 -29.9 20.2 7.5 10.3 188 191 A R H >< S+ 0 0 76 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.695 92.3 86.2 -87.3 -17.5 23.8 6.3 10.1 189 192 A E G >< S+ 0 0 114 -4,-2.2 3,-1.4 1,-0.3 4,-0.2 0.880 88.0 48.0 -51.5 -49.2 24.6 7.9 6.8 190 193 A P G 3 S+ 0 0 21 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.644 120.2 41.4 -69.7 -10.4 25.7 11.3 8.1 191 194 A F G < S+ 0 0 1 -3,-1.6 -2,-0.2 -4,-0.1 7,-0.1 -0.036 73.3 119.2-125.1 31.8 27.8 9.6 10.7 192 195 A L < + 0 0 110 -3,-1.4 2,-0.3 5,-0.1 -1,-0.1 0.913 63.6 74.5 -65.5 -38.2 29.4 6.7 8.6 193 196 A A S S- 0 0 59 -4,-0.2 4,-0.1 -3,-0.1 5,-0.1 -0.571 82.5-125.0 -82.8 136.5 32.9 8.0 9.3 194 197 A A S S+ 0 0 69 -2,-0.3 3,-0.4 3,-0.1 2,-0.3 -0.292 74.0 26.1 -70.7 158.1 34.7 7.7 12.6 195 198 A G S > S+ 0 0 27 -34,-2.6 3,-2.2 1,-0.2 4,-0.2 -0.635 120.3 3.0 89.7-147.6 36.0 10.8 14.3 196 199 A E G > S+ 0 0 71 1,-0.3 3,-1.1 -2,-0.3 -1,-0.2 0.611 113.7 73.8 -58.8 -19.4 34.8 14.4 14.0 197 200 A A G 3 S+ 0 0 22 -3,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.729 102.6 45.4 -68.2 -16.5 31.9 13.6 11.6 198 201 A R G X> S+ 0 0 25 -3,-2.2 3,-1.5 1,-0.2 4,-0.6 0.345 83.0 104.6-104.7 -0.7 30.2 12.2 14.7 199 202 A R H X> S+ 0 0 8 -3,-1.1 4,-2.9 1,-0.3 3,-1.6 0.875 72.4 59.2 -47.7 -46.1 31.2 15.2 16.9 200 203 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.807 101.1 54.6 -61.1 -23.7 27.7 16.7 16.8 201 204 A T H <4 S+ 0 0 0 -3,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.624 114.8 40.5 -89.1 -5.8 26.2 13.6 18.4 202 205 A L H X S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.3 4,-0.6 0.957 103.3 44.1 -62.9 -53.9 24.8 17.5 22.1 205 208 A P H 34 S+ 0 0 1 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.768 110.2 59.0 -62.1 -23.1 24.6 15.4 25.3 206 209 A R H 3< S+ 0 0 53 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.620 103.2 54.0 -71.8 -19.1 27.4 17.6 26.6 207 210 A Q H << S+ 0 0 23 -3,-1.7 -1,-0.2 -4,-0.6 -3,-0.1 0.606 77.3 122.5 -94.0 -12.0 25.1 20.5 26.1 208 211 A I S < S- 0 0 13 -4,-0.6 2,-2.4 -3,-0.4 5,-0.2 -0.233 71.3-120.9 -61.2 127.4 22.2 19.2 28.1 209 212 A P + 0 0 0 0, 0.0 -74,-2.3 0, 0.0 2,-0.4 -0.437 58.7 148.8 -65.5 80.9 21.2 21.5 30.9 210 213 A I B > -hI 135 213B 1 -2,-2.4 3,-1.7 3,-1.8 -74,-0.3 -0.969 63.5 -6.1-118.4 134.9 21.8 19.0 33.7 211 214 A A T 3 S- 0 0 54 -76,-2.3 -1,-0.2 -2,-0.4 -75,-0.1 0.827 128.9 -55.8 56.1 33.6 22.9 19.7 37.3 212 215 A G T 3 S+ 0 0 46 -77,-0.5 -1,-0.3 1,-0.1 6,-0.1 0.509 100.5 149.1 82.7 6.7 23.5 23.4 36.4 213 216 A T B < +I 210 0B 81 -3,-1.7 -3,-1.8 1,-0.2 -1,-0.1 -0.999 53.2 25.8-140.5 133.7 25.9 22.8 33.6 214 217 A P S > S- 0 0 23 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.420 77.1-157.1 -82.5 146.8 26.5 24.1 31.1 215 218 A A H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.804 87.2 54.3 -61.8 -35.9 25.4 27.5 32.6 216 219 A D H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 113.2 41.4 -65.6 -47.5 24.6 29.2 29.3 217 220 A V H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.876 113.3 55.0 -68.6 -32.2 22.3 26.5 28.1 218 221 A V H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.966 108.0 49.5 -59.9 -48.2 20.8 26.2 31.6 219 222 A A H X S+ 0 0 45 -4,-2.4 4,-2.5 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