==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-02 1IZ7 . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE, LINB; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR V.A.STRELTSOV . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.7 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 . 85 28.9 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 3 A L 0 0 121 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -24.4 4.8 3.6 7.4 2 4 A G - 0 0 29 1,-0.1 43,-0.1 179,-0.0 42,-0.0 -0.558 360.0-106.1 137.3 160.0 8.0 3.3 5.5 3 5 A A S S+ 0 0 32 -2,-0.2 -1,-0.1 2,-0.1 41,-0.1 0.487 75.6 111.3 -97.2 -6.5 11.7 4.1 4.9 4 6 A K - 0 0 134 -3,-0.1 180,-0.0 1,-0.1 179,-0.0 -0.501 68.8-121.4 -75.5 137.1 11.2 6.5 2.0 5 7 A P - 0 0 64 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.249 26.8-109.1 -68.8 163.1 12.1 10.1 2.8 6 8 A F S S- 0 0 41 34,-0.1 39,-0.1 2,-0.0 38,-0.1 -0.794 74.1 -29.7 -95.0 132.1 9.5 12.8 2.3 7 9 A G S S- 0 0 26 -2,-0.5 2,-0.4 37,-0.1 15,-0.1 -0.090 91.8 -62.1 59.4-158.4 10.1 15.2 -0.6 8 10 A E - 0 0 160 15,-0.1 15,-0.4 13,-0.0 2,-0.2 -0.974 49.6-102.1-129.9 148.9 13.6 16.0 -1.9 9 11 A K - 0 0 52 -2,-0.4 2,-0.3 13,-0.1 13,-0.2 -0.458 32.9-168.0 -70.3 133.9 16.5 17.7 -0.2 10 12 A K E -A 21 0A 89 11,-3.0 11,-2.5 -2,-0.2 2,-0.3 -0.809 8.9-148.1-113.3 157.7 17.2 21.4 -1.1 11 13 A F E +A 20 0A 100 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.957 15.2 179.0-131.2 149.0 20.4 23.2 -0.1 12 14 A I E -A 19 0A 43 7,-2.2 7,-2.8 -2,-0.3 2,-0.5 -0.994 31.7-113.8-150.1 141.8 21.2 26.7 0.8 13 15 A E + 0 0 122 -2,-0.3 2,-0.4 5,-0.2 -2,-0.0 -0.670 34.8 177.4 -82.6 128.0 24.5 28.4 1.7 14 16 A I S > S- 0 0 10 -2,-0.5 3,-3.0 1,-0.1 76,-0.1 -0.997 71.5 -17.5-133.1 121.2 24.6 29.7 5.3 15 17 A K T 3 S- 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 71,-0.0 0.883 127.6 -57.6 48.1 40.5 27.7 31.3 6.8 16 18 A G T 3 S+ 0 0 52 1,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.511 122.0 103.9 69.0 13.0 29.5 29.6 3.9 17 19 A R S < S- 0 0 43 -3,-3.0 51,-0.7 51,-0.1 -4,-0.1 0.102 72.9-125.8-116.3 21.0 28.3 26.1 4.9 18 20 A R - 0 0 106 49,-0.1 50,-2.8 1,-0.1 2,-0.4 0.821 25.8-161.3 34.1 109.6 25.6 24.5 2.8 19 21 A M E -A 12 0A 0 -7,-2.8 -7,-2.2 48,-0.2 2,-0.3 -0.916 7.4-139.5-117.5 145.7 22.6 23.3 4.9 20 22 A A E +A 11 0A 0 -2,-0.4 40,-2.9 40,-0.3 2,-0.3 -0.742 28.8 155.2-107.0 148.8 20.1 20.8 3.7 21 23 A Y E -AB 10 59A 24 -11,-2.5 -11,-3.0 -2,-0.3 2,-0.4 -0.988 39.6-116.0-165.8 160.6 16.4 20.9 4.2 22 24 A I E + B 0 58A 5 36,-2.7 36,-2.0 -2,-0.3 2,-0.3 -0.853 30.0 173.8 -99.4 138.4 13.0 19.8 2.9 23 25 A D E + B 0 57A 19 -15,-0.4 2,-0.4 -2,-0.4 34,-0.2 -0.819 11.8 162.8-149.2 101.8 10.6 22.6 1.8 24 26 A E E + B 0 56A 64 32,-2.4 32,-3.3 -2,-0.3 2,-0.1 -0.979 39.4 5.5-129.5 131.7 7.4 21.3 0.2 25 27 A G S S- 0 0 60 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.379 74.2 -81.6 99.1-178.7 4.1 23.0 -0.5 26 28 A T S S+ 0 0 123 28,-0.3 2,-0.3 -2,-0.1 -2,-0.0 -0.882 71.4 45.7-132.1 158.9 2.8 26.5 -0.1 27 29 A G S S- 0 0 44 -2,-0.3 27,-0.1 27,-0.2 3,-0.1 -0.726 95.8 -10.1 111.6-163.6 1.4 28.7 2.6 28 30 A D S S- 0 0 64 -2,-0.3 27,-1.6 25,-0.2 69,-0.1 -0.487 85.5 -96.9 -71.8 147.9 2.4 29.4 6.1 29 31 A P E -c 55 0A 1 0, 0.0 72,-2.3 0, 0.0 2,-0.5 -0.292 23.4-163.2 -71.6 146.2 5.2 27.1 7.4 30 32 A I E -cd 56 101A 0 25,-2.8 27,-2.7 70,-0.2 2,-0.7 -0.990 27.1-160.4-118.9 109.9 4.8 24.0 9.4 31 33 A L E -cd 57 102A 0 70,-3.5 72,-2.9 -2,-0.5 2,-0.5 -0.864 9.1-164.6-109.0 111.8 8.4 23.7 10.6 32 34 A F E -cd 58 103A 0 25,-3.3 27,-0.7 -2,-0.7 2,-0.6 -0.823 5.7-168.5 -98.6 124.2 9.6 20.3 11.8 33 35 A Q E -cd 59 104A 0 70,-2.7 72,-1.5 -2,-0.5 75,-0.2 -0.936 3.4-159.0-123.8 114.4 12.9 20.3 13.7 34 36 A H - 0 0 0 -2,-0.6 2,-0.1 25,-0.5 6,-0.1 -0.268 7.2-160.0 -74.1 168.2 14.8 17.1 14.6 35 37 A G > + 0 0 0 72,-0.2 3,-1.3 4,-0.2 26,-0.1 -0.196 43.1 10.1-126.9-144.4 17.3 16.7 17.4 36 38 A N T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.714 121.9 -11.0 -93.7 135.3 20.1 14.2 18.2 37 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 28,-0.1 -0.534 116.8 81.5-107.6 46.2 21.3 12.1 16.3 38 40 A T < - 0 0 3 -3,-1.3 27,-0.3 26,-0.1 2,-0.3 0.005 53.7-154.7 -99.9-158.4 18.5 12.3 13.7 39 41 A S > - 0 0 8 25,-0.1 3,-2.3 21,-0.1 4,-0.3 -0.866 54.7 -59.5-158.7-171.1 17.8 14.6 10.7 40 42 A S G > S+ 0 0 2 1,-0.3 3,-2.0 -2,-0.3 4,-0.2 0.778 122.5 78.1 -52.9 -27.1 14.8 15.7 8.7 41 43 A Y G > S+ 0 0 20 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.747 75.8 74.6 -55.0 -27.1 14.3 12.0 8.0 42 44 A L G < S+ 0 0 2 -3,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.806 98.9 45.2 -55.4 -29.6 12.8 11.6 11.5 43 45 A W G X> S+ 0 0 0 -3,-2.0 4,-2.9 -4,-0.3 3,-1.7 0.330 76.7 111.5 -99.7 8.0 9.6 13.3 10.2 44 46 A R T <4 S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.753 85.1 38.7 -57.3 -31.5 9.2 11.5 6.9 45 47 A N T 34 S+ 0 0 15 -3,-0.3 -1,-0.3 -4,-0.2 4,-0.1 0.435 118.2 49.7 -98.0 -2.9 6.1 9.6 7.9 46 48 A I T X4 S+ 0 0 0 -3,-1.7 3,-1.4 2,-0.1 4,-0.4 0.813 98.3 63.0-101.1 -43.2 4.6 12.5 9.8 47 49 A M G >< S+ 0 0 0 -4,-2.9 3,-2.2 1,-0.3 -3,-0.1 0.840 91.1 66.7 -56.7 -35.8 4.9 15.3 7.3 48 50 A P G > S+ 0 0 56 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.823 90.8 65.0 -54.1 -33.6 2.6 13.7 4.8 49 51 A H G < S+ 0 0 59 -3,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.723 99.3 53.0 -60.6 -22.2 -0.3 14.2 7.2 50 52 A C G X S+ 0 0 0 -3,-2.2 3,-2.4 -4,-0.4 4,-0.5 0.222 77.1 145.1 -99.5 14.2 0.1 17.9 6.8 51 53 A A T < S+ 0 0 63 -3,-1.8 4,-0.1 1,-0.3 -26,-0.1 -0.293 74.8 8.1 -54.1 137.6 -0.2 17.9 3.0 52 54 A G T 3 S+ 0 0 83 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.287 106.3 95.3 72.6 -6.3 -1.9 20.9 1.8 53 55 A L S < S- 0 0 37 -3,-2.4 2,-0.3 1,-0.2 -25,-0.2 0.552 97.5 -42.8 -92.8 -8.0 -2.0 22.6 5.2 54 56 A G S S- 0 0 2 -4,-0.5 2,-0.7 -27,-0.1 -28,-0.3 -0.975 80.8 -48.5 170.6-173.0 1.1 24.7 4.8 55 57 A R E - c 0 29A 41 -27,-1.6 -25,-2.8 -2,-0.3 2,-0.7 -0.775 57.6-144.2 -87.2 113.9 4.6 24.9 3.5 56 58 A L E +Bc 24 30A 5 -32,-3.3 -32,-2.4 -2,-0.7 2,-0.4 -0.722 25.3 176.4 -91.0 115.9 6.2 21.8 5.1 57 59 A I E +Bc 23 31A 0 -27,-2.7 -25,-3.3 -2,-0.7 2,-0.4 -0.924 16.8 173.1-125.5 138.0 9.7 22.4 6.1 58 60 A A E -Bc 22 32A 0 -36,-2.0 -36,-2.7 -2,-0.4 2,-0.3 -0.889 17.2-160.1-143.7 112.4 12.3 20.1 7.9 59 61 A C E -Bc 21 33A 0 -27,-0.7 2,-0.6 -2,-0.4 -25,-0.5 -0.646 15.8-130.2 -95.0 147.7 15.8 21.4 8.2 60 62 A D - 0 0 0 -40,-2.9 -40,-0.3 -2,-0.3 3,-0.1 -0.855 32.0-120.6 -94.6 122.7 18.9 19.3 8.8 61 63 A L > - 0 0 1 -2,-0.6 3,-2.4 1,-0.1 6,-0.3 -0.195 44.1 -79.9 -57.2 154.5 21.0 20.8 11.7 62 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.2 21,-0.2 -1,-0.1 -0.275 121.6 18.3 -58.3 142.4 24.5 21.8 10.8 63 65 A G T 3 S+ 0 0 0 5,-2.3 -1,-0.3 1,-0.2 2,-0.3 0.429 115.7 89.6 76.1 -0.9 26.8 18.7 10.8 64 66 A M S X S- 0 0 0 -3,-2.4 3,-2.4 4,-0.2 -44,-0.3 -0.784 85.0 -6.3-127.7 164.7 23.7 16.4 10.6 65 67 A G T 3 S- 0 0 11 -27,-0.3 -26,-0.1 1,-0.3 -44,-0.0 -0.215 129.5 -27.4 52.9-131.1 21.7 14.9 7.8 66 68 A D T 3 S+ 0 0 71 2,-0.0 -1,-0.3 -46,-0.0 2,-0.2 0.290 109.2 115.9 -97.1 9.0 22.9 16.3 4.5 67 69 A S S < S- 0 0 7 -3,-2.4 -48,-0.2 -6,-0.3 -49,-0.1 -0.483 75.7 -94.1 -76.0 151.0 24.1 19.6 6.0 68 70 A D - 0 0 54 -50,-2.8 -5,-2.3 -51,-0.7 -4,-0.2 -0.228 34.6-115.6 -64.7 152.4 27.7 20.3 5.9 69 71 A K - 0 0 56 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.521 28.4-117.6 -77.9 153.5 30.1 19.4 8.6 70 72 A L - 0 0 2 -2,-0.2 3,-0.2 -8,-0.1 -1,-0.0 -0.690 38.8-128.5 -87.6 141.9 31.9 22.3 10.4 71 73 A D S S+ 0 0 94 -2,-0.3 2,-0.0 1,-0.3 3,-0.0 -0.988 88.0 37.4-141.5 141.9 35.6 22.1 10.0 72 74 A P S S- 0 0 111 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.513 87.7-172.9 -77.3 132.8 37.9 22.2 11.9 73 75 A S + 0 0 28 -3,-0.2 124,-0.1 4,-0.1 125,-0.1 -0.606 20.0 130.0 -95.1 155.5 35.7 20.1 14.3 74 76 A G S > S- 0 0 16 -2,-0.2 3,-2.0 123,-0.1 0, 0.0 -0.951 72.0 -54.6-178.2-171.5 36.7 19.3 17.8 75 77 A P T 3 S+ 0 0 85 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.619 128.5 55.5 -64.1 -12.5 35.3 19.4 21.3 76 78 A E T 3 S+ 0 0 176 3,-0.0 3,-0.5 2,-0.0 2,-0.2 0.518 94.0 91.8 -94.0 -8.3 34.5 23.1 21.1 77 79 A R S < S+ 0 0 53 -3,-2.0 -4,-0.1 1,-0.2 127,-0.0 -0.542 77.0 23.7 -92.5 155.3 32.4 22.7 18.0 78 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.757 74.8 155.3 69.5 27.2 28.6 22.0 17.7 79 81 A A >> - 0 0 26 -3,-0.5 4,-2.4 1,-0.1 3,-0.6 -0.356 61.3 -96.7 -74.5 165.8 27.6 23.5 21.0 80 82 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 123.4 54.7 -52.1 -44.4 24.0 24.8 21.2 81 83 A A H 3> S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 108.6 48.6 -63.0 -34.3 25.0 28.4 20.5 82 84 A E H <> S+ 0 0 38 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.944 111.2 49.2 -70.6 -45.4 26.7 27.4 17.3 83 85 A H H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.889 110.9 51.6 -56.5 -42.3 23.8 25.3 16.1 84 86 A R H X S+ 0 0 52 -4,-2.8 4,-3.2 -5,-0.2 5,-0.3 0.889 105.0 55.7 -64.0 -38.8 21.5 28.2 16.9 85 87 A D H X S+ 0 0 86 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.945 114.7 39.0 -61.5 -44.8 23.6 30.6 14.9 86 88 A Y H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 118.0 47.8 -71.2 -43.2 23.3 28.4 11.8 87 89 A L H X S+ 0 0 3 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.900 110.1 51.5 -66.3 -40.0 19.7 27.5 12.4 88 90 A D H X S+ 0 0 40 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.913 112.6 47.8 -59.8 -43.2 18.6 31.1 13.0 89 91 A A H X S+ 0 0 34 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.893 111.4 48.9 -67.9 -37.5 20.3 32.1 9.8 90 92 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.948 111.8 49.0 -67.1 -45.1 18.7 29.2 7.8 91 93 A W H <>S+ 0 0 1 -4,-2.9 5,-0.7 1,-0.2 4,-0.3 0.874 111.2 50.0 -62.3 -34.1 15.3 30.1 9.1 92 94 A E H ><5S+ 0 0 130 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.2 0.925 110.1 51.4 -66.8 -44.0 15.8 33.7 8.2 93 95 A A H 3<5S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.755 101.0 62.2 -64.3 -26.5 16.9 32.7 4.7 94 96 A L T 3<5S- 0 0 7 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.556 100.7-133.5 -79.2 -6.6 13.8 30.5 4.2 95 97 A D T < 5 + 0 0 135 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.979 33.2 178.1 52.4 65.3 11.5 33.6 4.5 96 98 A L < - 0 0 3 -5,-0.7 3,-0.5 1,-0.2 -1,-0.1 0.658 21.7-145.9 -75.6 -17.3 9.1 31.9 6.9 97 99 A G - 0 0 32 1,-0.2 3,-0.2 -69,-0.1 -1,-0.2 -0.334 34.3 -65.1 79.2-167.4 6.7 34.8 7.5 98 100 A D S S+ 0 0 102 1,-0.2 -1,-0.2 -2,-0.1 -70,-0.0 0.173 115.0 65.2-116.6 17.5 4.9 35.5 10.7 99 101 A R + 0 0 88 -3,-0.5 2,-0.3 24,-0.1 24,-0.2 -0.425 66.1 161.3-133.8 65.6 2.5 32.6 11.2 100 102 A V E - e 0 123A 0 22,-3.1 24,-2.6 -3,-0.2 25,-1.3 -0.604 29.4-153.2 -90.9 135.2 4.8 29.7 11.8 101 103 A V E -de 30 125A 0 -72,-2.3 -70,-3.5 -2,-0.3 2,-0.4 -0.953 17.0-153.4-103.0 123.7 3.8 26.4 13.4 102 104 A L E -de 31 126A 0 23,-2.5 25,-3.2 -2,-0.6 2,-0.5 -0.823 11.5-170.6 -97.5 138.8 6.8 24.7 15.0 103 105 A V E +de 32 127A 0 -72,-2.9 -70,-2.7 -2,-0.4 2,-0.3 -0.979 24.1 179.3-129.0 114.1 6.8 20.9 15.4 104 106 A V E -de 33 128A 0 23,-2.7 25,-1.4 -2,-0.5 2,-0.3 -0.864 23.6-176.6-131.4 157.0 9.8 20.0 17.6 105 107 A H E >> - e 0 129A 0 -72,-1.5 3,-2.0 -2,-0.3 4,-0.6 -0.993 58.8 -37.9-144.3 141.1 11.6 17.1 19.2 106 108 A D H >> S+ e 0 131A 16 24,-1.9 4,-1.4 23,-0.8 3,-1.4 -0.085 132.9 1.0 49.2-126.3 14.7 16.8 21.6 107 109 A W H 3> S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.773 130.0 66.3 -64.9 -23.7 17.3 19.4 20.6 108 110 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.824 102.0 48.7 -61.7 -32.3 14.9 20.6 17.9 109 111 A S H < S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.920 107.7 51.2 -61.3 -43.2 9.9 31.0 19.5 117 119 A R H >< S+ 0 0 64 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.887 114.5 44.5 -62.1 -36.6 10.7 33.0 22.7 118 120 A R H 3< S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.581 127.1 29.7 -83.6 -11.0 12.9 35.4 20.6 119 121 A H T X< S+ 0 0 54 -4,-1.1 3,-2.5 -3,-0.6 4,-0.3 -0.186 74.9 149.5-138.9 46.3 10.3 35.6 17.7 120 122 A R G X + 0 0 98 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142 A D G <4 S+ 0 0 29 -3,-1.8 -1,-0.3 2,-0.1 108,-0.2 0.625 88.2 96.0 -84.4 -17.1 15.0 13.5 36.3 141 143 A F S << S- 0 0 10 -3,-1.2 5,-0.1 -4,-0.7 105,-0.1 -0.543 94.2 -91.6 -75.9 140.6 17.0 11.8 33.6 142 144 A P > - 0 0 30 0, 0.0 4,-0.7 0, 0.0 3,-0.5 -0.199 30.6-135.7 -56.8 136.7 15.7 8.4 32.5 143 145 A E H >> S+ 0 0 159 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.854 94.5 67.8 -60.0 -39.9 17.2 5.7 34.5 144 146 A Q H 34 S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.890 118.6 20.0 -52.1 -44.3 17.9 3.3 31.6 145 147 A D H 3> S+ 0 0 14 -3,-0.5 4,-2.7 1,-0.1 5,-0.3 0.319 91.2 108.3-113.9 15.3 20.5 5.5 30.0 146 148 A R H S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 110.8 46.9 -64.3 -40.9 25.6 6.3 29.6 149 151 A F H X S+ 0 0 14 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.861 109.3 53.2 -71.7 -31.5 24.8 9.9 29.4 150 152 A Q H < S+ 0 0 68 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.927 109.4 51.3 -66.2 -36.2 26.9 10.7 32.3 151 153 A A H >< S+ 0 0 27 -4,-2.2 3,-1.3 1,-0.2 6,-0.6 0.902 104.7 54.5 -67.8 -38.0 29.7 8.8 30.4 152 154 A F H 3< S+ 0 0 0 -4,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.911 105.7 55.1 -57.2 -40.0 29.1 10.9 27.3 153 155 A R T 3< S+ 0 0 55 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.3 -0.164 106.3 65.5 -85.6 36.9 29.6 14.0 29.5 154 156 A S S X S- 0 0 45 -3,-1.3 3,-2.4 -2,-0.3 4,-0.3 -0.893 108.1 -84.9-144.9 175.6 33.0 12.6 30.6 155 157 A Q T > S+ 0 0 173 -2,-0.3 3,-0.6 1,-0.3 4,-0.4 0.648 120.5 71.3 -64.0 -12.0 36.3 12.0 28.9 156 158 A A T 3> S+ 0 0 47 -5,-0.3 4,-2.0 1,-0.2 3,-0.3 0.631 76.0 85.9 -77.7 -12.4 34.9 8.6 27.9 157 159 A G H <>>S+ 0 0 0 -3,-2.4 4,-3.0 -6,-0.6 5,-0.5 0.845 79.1 58.5 -61.3 -36.2 32.6 10.3 25.4 158 160 A E H <>>S+ 0 0 45 -3,-0.6 5,-1.8 -4,-0.3 4,-1.0 0.922 109.9 42.8 -63.2 -42.9 35.0 10.5 22.5 159 161 A E H 4>S+ 0 0 119 -4,-0.4 5,-2.0 -3,-0.3 -1,-0.2 0.952 116.1 49.2 -67.3 -43.3 35.6 6.8 22.4 160 162 A L H <5S+ 0 0 40 -4,-2.0 6,-2.4 3,-0.2 -2,-0.2 0.947 129.2 18.4 -59.6 -45.1 31.9 6.0 22.8 161 163 A V H X5S+ 0 0 0 -4,-3.0 4,-1.7 4,-0.2 -3,-0.2 0.938 128.7 38.5 -98.5 -55.5 30.7 8.4 20.2 162 164 A L T <> + 0 0 14 -6,-2.4 4,-2.4 1,-0.2 5,-2.3 0.805 65.2 56.9 -62.6 -29.3 27.1 4.8 20.2 167 169 A F H 4>S+ 0 0 7 3,-0.2 5,-2.3 1,-0.2 -1,-0.2 0.960 116.1 34.2 -69.7 -46.1 24.5 7.5 19.9 168 170 A V H 45S+ 0 0 0 -3,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.915 127.9 37.4 -69.6 -44.5 23.4 6.5 16.4 169 171 A E H <5S+ 0 0 73 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.730 132.5 14.8 -86.8 -22.7 23.9 2.7 16.9 170 172 A Q T X5S+ 0 0 101 -4,-2.4 4,-1.9 -5,-0.3 -3,-0.2 0.745 125.2 43.7-117.3 -52.8 22.8 2.1 20.5 171 173 A V H >44 S+ 0 0 47 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.891 113.0 61.1 -65.0 -29.6 17.4 2.0 18.4 174 176 A G H 3< S+ 0 0 41 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.699 105.4 47.4 -69.0 -19.4 17.3 1.5 22.2 175 177 A L T << S+ 0 0 14 -3,-1.3 96,-1.7 -4,-1.1 95,-1.5 0.030 96.9 81.7-112.0 27.3 14.8 4.3 22.4 176 178 A I < - 0 0 12 -3,-1.7 4,-0.1 94,-0.1 96,-0.1 -1.000 65.8-153.8-126.7 127.7 12.5 3.1 19.6 177 179 A L S S+ 0 0 101 -2,-0.4 -1,-0.1 94,-0.1 98,-0.1 0.793 74.8 58.1 -77.5 -31.3 10.0 0.4 20.6 178 180 A R S S- 0 0 69 1,-0.1 2,-0.2 96,-0.0 -2,-0.0 -0.705 96.9 -94.1 -98.1 155.0 9.6 -1.3 17.1 179 181 A P - 0 0 116 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.451 36.1-134.8 -70.3 133.0 12.4 -2.7 15.0 180 182 A L - 0 0 35 -2,-0.2 2,-0.1 -4,-0.1 -4,-0.0 -0.565 20.1-120.5 -82.3 150.1 13.9 -0.5 12.5 181 183 A S > - 0 0 50 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.355 26.3-104.0 -84.1 171.5 14.6 -1.8 9.0 182 184 A E H > S+ 0 0 176 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.917 121.9 48.6 -58.2 -44.6 17.9 -1.9 7.2 183 185 A A H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.859 109.4 51.7 -68.0 -38.6 17.0 1.1 5.1 184 186 A E H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.944 112.0 45.7 -64.4 -45.1 15.9 3.2 8.1 185 187 A M H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.864 109.8 56.0 -65.5 -33.7 19.1 2.5 10.0 186 188 A A H X S+ 0 0 45 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.904 106.6 50.5 -62.9 -39.5 21.1 3.3 6.8 187 189 A A H < S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 113.0 46.3 -65.1 -37.5 19.4 6.7 6.6 188 190 A Y H < S+ 0 0 4 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.877 116.8 41.9 -75.7 -35.1 20.3 7.4 10.2 189 191 A R H >< S+ 0 0 71 -4,-2.6 3,-2.5 1,-0.2 -2,-0.2 0.767 90.4 90.1 -83.6 -15.4 23.8 6.3 10.1 190 192 A E G >< S+ 0 0 119 -4,-2.0 3,-1.1 1,-0.3 4,-0.2 0.819 86.8 47.6 -49.5 -44.4 24.6 7.9 6.7 191 193 A P G 3 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.668 120.0 42.6 -70.2 -9.4 25.8 11.3 8.1 192 194 A F G < S+ 0 0 1 -3,-2.5 -2,-0.2 -4,-0.2 7,-0.1 -0.060 71.8 116.8-127.9 28.0 28.0 9.4 10.6 193 195 A L < + 0 0 110 -3,-1.1 2,-0.4 5,-0.1 -1,-0.1 0.831 65.2 73.8 -69.6 -33.8 29.5 6.6 8.6 194 196 A A S S- 0 0 60 -4,-0.2 5,-0.2 -3,-0.1 4,-0.1 -0.685 83.6-126.9 -86.8 131.7 33.0 7.9 9.2 195 197 A A S S+ 0 0 69 -2,-0.4 3,-0.3 3,-0.1 2,-0.3 -0.340 73.2 32.4 -67.2 156.2 34.6 7.5 12.6 196 198 A G S > S- 0 0 28 -34,-2.4 3,-2.3 1,-0.2 4,-0.2 -0.696 118.6 -2.9 100.8-151.9 36.0 10.6 14.1 197 199 A E G > S+ 0 0 68 -2,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.704 114.2 76.1 -56.9 -22.9 34.8 14.2 13.9 198 200 A A G 3 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.823 100.2 47.4 -55.4 -29.7 32.0 13.5 11.5 199 201 A R G X> S+ 0 0 24 -3,-2.3 3,-1.4 -5,-0.2 4,-0.5 0.439 81.5 104.9 -90.7 -1.5 30.2 12.1 14.6 200 202 A R H X> S+ 0 0 7 -3,-1.9 4,-3.3 1,-0.3 3,-1.7 0.848 70.1 60.9 -52.7 -38.8 31.0 15.1 16.8 201 203 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.876 101.4 56.2 -59.6 -32.2 27.5 16.7 16.7 202 204 A T H <4 S+ 0 0 0 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.625 114.9 37.5 -75.3 -10.5 26.2 13.4 18.3 203 205 A L H X S+ 0 0 0 -4,-1.9 3,-1.8 -5,-0.3 4,-0.7 0.962 103.5 44.5 -59.6 -50.7 24.7 17.4 22.0 206 208 A P H >4 S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.851 110.1 58.2 -64.7 -27.3 24.5 15.3 25.1 207 209 A R H 3< S+ 0 0 50 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.628 105.0 52.4 -74.2 -10.8 27.2 17.4 26.6 208 210 A Q H << S+ 0 0 24 -3,-1.8 -1,-0.2 -4,-0.6 -3,-0.1 0.554 75.9 120.0 -98.7 -8.9 25.0 20.4 26.1 209 211 A I S << S- 0 0 11 -3,-0.8 2,-1.7 -4,-0.7 5,-0.1 -0.304 74.3-118.1 -61.1 130.6 21.9 19.1 27.8 210 212 A P + 0 0 1 0, 0.0 -74,-2.7 0, 0.0 2,-0.4 -0.573 59.0 149.7 -73.5 88.7 21.0 21.4 30.7 211 213 A I B > -hI 136 214B 0 3,-1.9 3,-1.6 -2,-1.7 -74,-0.3 -0.994 64.4 -7.9-127.9 133.3 21.5 18.9 33.5 212 214 A A T 3 S- 0 0 46 -76,-2.3 -1,-0.1 -2,-0.4 -75,-0.1 0.866 127.6 -57.3 50.0 39.0 22.6 19.7 37.1 213 215 A G T 3 S+ 0 0 39 -77,-0.5 -1,-0.2 1,-0.1 6,-0.1 0.411 98.8 143.5 81.0 0.7 23.4 23.3 36.2 214 216 A T B < +I 211 0B 84 -3,-1.6 -3,-1.9 1,-0.2 -1,-0.1 -0.978 55.3 30.1-131.8 138.5 25.9 22.6 33.3 215 217 A P S > S- 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.538 79.2-159.3 -75.7 141.3 26.5 24.0 30.7 216 218 A A H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.811 84.7 57.0 -63.5 -31.8 25.4 27.2 32.4 217 219 A D H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 111.9 42.0 -66.1 -43.9 24.6 29.0 29.1 218 220 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.865 111.0 56.0 -70.1 -36.7 22.2 26.4 28.0 219 221 A V H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.941 110.4 47.1 -58.0 -41.8 20.7 26.1 31.5 220 222 A A H X S+ 0 0 39 -4,-2.2 4,-2.2 2,-0.2 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