==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-08 3FBW . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS RHODOCHROUS; . AUTHOR J.DOHNALEK,A.STSIAPANAVA,J.A.GAVIRA,I.KUTA SMATANOVA,M.KUTY . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.5 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 . 2 0.7 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 . 45 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 4 0 1 1 1 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 . 1 1 0 2 0 0 2 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 . 1 0 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 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 E 0 0 196 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.7 -21.4 -18.8 7.6 2 4 A I - 0 0 42 1,-0.1 272,-0.0 272,-0.1 2,-0.0 -0.456 360.0 -94.6 -59.9 136.7 -18.7 -16.2 7.8 3 5 A G - 0 0 23 -2,-0.1 -1,-0.1 1,-0.1 45,-0.1 -0.260 36.1-175.0 -68.9 138.6 -15.6 -17.7 6.2 4 6 A T + 0 0 31 -3,-0.1 -1,-0.1 43,-0.1 182,-0.1 0.593 53.7 97.6-106.5 -14.2 -13.0 -19.4 8.4 5 7 A G - 0 0 44 42,-0.0 -2,-0.0 1,-0.0 178,-0.0 -0.277 56.8-154.0 -75.9 161.7 -10.3 -20.1 5.8 6 8 A F + 0 0 31 1,-0.1 38,-0.0 42,-0.0 42,-0.0 -0.725 21.1 170.9-127.6 82.7 -7.2 -18.1 5.0 7 9 A P + 0 0 101 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.631 33.6 121.0 -74.9 -10.2 -6.5 -18.9 1.3 8 10 A F - 0 0 24 1,-0.1 17,-0.1 39,-0.0 3,-0.1 -0.279 64.0-121.9 -73.3 132.2 -3.8 -16.3 0.7 9 11 A D - 0 0 122 15,-0.1 15,-0.4 1,-0.1 2,-0.2 -0.411 36.0-109.3 -62.5 135.1 -0.3 -17.2 -0.4 10 12 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 13,-0.1 -0.520 32.5-169.6 -72.1 138.7 2.4 -16.0 2.0 11 13 A H E -A 22 0A 55 11,-1.3 11,-2.4 -2,-0.2 2,-0.3 -0.958 5.5-163.6-120.7 146.1 4.6 -13.2 1.0 12 14 A Y E -A 21 0A 94 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.979 10.4-179.0-131.4 144.8 7.7 -12.2 3.0 13 15 A V E -A 20 0A 23 7,-1.9 7,-2.8 -2,-0.3 2,-0.6 -0.995 30.7-119.9-142.5 141.0 10.0 -9.2 3.1 14 16 A E E +A 19 0A 121 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.714 36.4 176.9 -82.6 121.7 13.1 -8.5 5.1 15 17 A V E > -A 18 0A 3 3,-3.3 3,-2.2 -2,-0.6 74,-0.1 -0.988 67.6 -20.1-131.6 114.8 12.4 -5.4 7.3 16 18 A L T 3 S- 0 0 81 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.896 128.3 -51.7 51.7 42.7 15.0 -4.1 9.8 17 19 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.444 122.5 99.2 79.5 -1.0 16.7 -7.6 9.7 18 20 A E E < S-A 15 0A 51 -3,-2.2 -3,-3.3 53,-0.1 2,-0.5 -0.928 74.1-117.0-122.5 143.5 13.4 -9.4 10.4 19 21 A R E -A 14 0A 91 -2,-0.4 52,-3.1 -5,-0.2 2,-0.4 -0.659 27.4-164.2 -83.0 130.3 11.1 -11.2 8.1 20 22 A M E -A 13 0A 0 -7,-2.8 -7,-1.9 -2,-0.5 2,-0.3 -0.942 9.5-142.1-112.2 136.5 7.5 -9.8 7.9 21 23 A H E +A 12 0A 1 -2,-0.4 42,-2.8 42,-0.3 2,-0.3 -0.715 25.6 169.7 -92.0 144.5 4.6 -11.7 6.4 22 24 A Y E -AB 11 62A 22 -11,-2.4 -11,-1.3 -2,-0.3 2,-0.3 -0.993 34.4-121.8-150.4 153.5 1.9 -10.1 4.3 23 25 A V E - B 0 61A 0 38,-2.1 38,-2.1 -2,-0.3 2,-0.3 -0.730 28.8-179.6 -79.6 138.5 -1.0 -10.9 2.0 24 26 A D E + B 0 60A 12 -15,-0.4 2,-0.2 -2,-0.3 36,-0.2 -0.848 19.0 142.7-146.5 100.5 -0.6 -9.4 -1.5 25 27 A V E + B 0 59A 37 34,-2.0 34,-2.6 -2,-0.3 -2,-0.0 -0.787 32.6 45.1-133.0 176.2 -3.5 -10.1 -3.9 26 28 A G S S- 0 0 29 32,-0.2 32,-0.2 -2,-0.2 28,-0.1 -0.335 102.3 -2.6 80.4-170.4 -5.4 -8.3 -6.7 27 29 A P - 0 0 47 0, 0.0 32,-0.1 0, 0.0 -2,-0.1 -0.126 63.9-131.2 -49.4 153.5 -3.7 -6.4 -9.5 28 30 A R S S+ 0 0 130 30,-0.1 2,-0.2 4,-0.0 -2,-0.0 0.544 85.4 29.9 -87.5 -7.8 0.0 -6.1 -9.3 29 31 A D S S+ 0 0 124 2,-0.1 29,-0.5 0, 0.0 2,-0.0 -0.743 80.8 67.9-138.8-176.9 0.0 -2.4 -9.9 30 32 A G S S- 0 0 55 -2,-0.2 27,-0.0 27,-0.1 0, 0.0 -0.109 97.2 -28.0 83.4 173.9 -2.1 0.7 -9.2 31 33 A T S S- 0 0 23 1,-0.1 27,-0.4 67,-0.1 2,-0.2 -0.413 71.3-138.9 -58.3 123.3 -2.9 2.3 -5.9 32 34 A P - 0 0 7 0, 0.0 67,-2.5 0, 0.0 2,-0.6 -0.553 3.7-132.3 -86.9 156.2 -2.8 -0.4 -3.2 33 35 A V E -cd 59 99A 0 25,-3.0 27,-2.8 -2,-0.2 2,-0.6 -0.942 22.5-154.4-103.2 116.3 -5.2 -0.8 -0.3 34 36 A L E -cd 60 100A 0 65,-3.2 67,-2.6 -2,-0.6 2,-0.5 -0.894 4.4-159.3-102.8 113.5 -3.2 -1.4 2.9 35 37 A F E - d 0 101A 0 25,-2.7 2,-0.6 -2,-0.6 67,-0.2 -0.863 6.2-166.7 -98.6 122.2 -5.0 -3.3 5.6 36 38 A L E - d 0 102A 2 65,-2.4 67,-1.5 -2,-0.5 70,-0.2 -0.942 2.1-164.9-120.4 109.8 -3.7 -2.8 9.2 37 39 A H - 0 0 0 -2,-0.6 2,-0.1 25,-0.5 6,-0.1 -0.310 5.6-159.9 -76.9 173.0 -4.8 -5.1 12.0 38 40 A G > + 0 0 0 67,-0.2 3,-1.3 4,-0.2 66,-0.1 -0.213 40.6 8.9-130.0-142.3 -4.3 -4.5 15.7 39 41 A N T 3 S- 0 0 2 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.774 121.0 -10.9 -96.3 136.4 -4.3 -6.4 19.0 40 42 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 160,-0.1 -0.568 116.5 83.8-102.5 47.4 -4.2 -9.5 19.3 41 43 A T < - 0 0 2 -3,-1.3 27,-0.3 26,-0.1 2,-0.3 0.061 50.2-160.0-103.2-160.8 -5.0 -10.2 15.6 42 44 A S > - 0 0 12 25,-0.1 3,-2.3 -3,-0.1 4,-0.3 -0.900 57.5 -57.6-161.5-171.9 -3.2 -10.5 12.3 43 45 A S G > S+ 0 0 2 1,-0.3 3,-1.7 -2,-0.3 4,-0.2 0.720 121.5 80.3 -56.5 -20.7 -4.0 -10.4 8.6 44 46 A Y G > S+ 0 0 6 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.824 80.0 67.4 -52.8 -34.5 -6.4 -13.2 9.4 45 47 A L G < S+ 0 0 2 -3,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.757 101.7 46.4 -56.4 -28.3 -8.8 -10.4 10.6 46 48 A W G X> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.3 3,-1.7 0.347 78.5 109.4 -96.6 4.3 -9.1 -9.2 7.0 47 49 A R T <4 S+ 0 0 4 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.742 84.5 38.4 -59.6 -30.5 -9.7 -12.5 5.4 48 50 A N T 34 S+ 0 0 28 -3,-0.3 -1,-0.3 -4,-0.2 233,-0.1 0.417 117.6 50.3-100.3 -0.9 -13.4 -11.9 4.6 49 51 A I T X> S+ 0 0 0 -3,-1.7 3,-1.7 2,-0.1 4,-0.7 0.808 98.4 63.3 -98.7 -46.9 -13.0 -8.3 3.7 50 52 A I H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 3,-1.7 0.843 92.9 63.5 -48.3 -45.6 -10.1 -8.5 1.2 51 53 A P H 34 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 99.9 54.4 -61.8 -19.9 -12.1 -10.7 -1.3 52 54 A H H <4 S+ 0 0 58 -3,-1.7 -2,-0.2 2,-0.1 4,-0.1 0.734 117.6 35.3 -75.9 -25.7 -14.5 -7.8 -1.9 53 55 A V H XX S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.7 3,-1.9 0.813 99.2 75.1 -98.6 -37.0 -11.6 -5.4 -2.7 54 56 A A T 3< S+ 0 0 19 -4,-2.7 -2,-0.1 1,-0.3 -1,-0.1 0.727 84.0 67.5 -53.3 -32.5 -9.1 -7.6 -4.6 55 57 A P T 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.839 119.4 20.1 -57.0 -32.7 -11.2 -7.7 -7.8 56 58 A S T <4 S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.696 126.6 33.3-106.1 -29.6 -10.5 -4.0 -8.3 57 59 A H S < S- 0 0 40 -4,-2.1 -1,-0.2 -27,-0.0 2,-0.1 -0.975 79.4-101.3-137.7 143.2 -7.4 -3.1 -6.3 58 60 A R - 0 0 38 -29,-0.5 -25,-3.0 -27,-0.4 2,-0.5 -0.438 39.8-152.3 -55.3 132.4 -4.2 -4.5 -5.0 59 61 A C E -Bc 25 33A 0 -34,-2.6 -34,-2.0 -27,-0.2 2,-0.5 -0.979 14.4-176.3-119.2 124.3 -4.6 -5.5 -1.4 60 62 A I E +Bc 24 34A 0 -27,-2.8 -25,-2.7 -2,-0.5 -36,-0.2 -0.983 4.8 174.3-120.5 123.2 -1.6 -5.6 1.0 61 63 A A E -B 23 0A 0 -38,-2.1 -38,-2.1 -2,-0.5 2,-0.1 -0.839 12.1-166.2-133.8 96.1 -2.2 -6.9 4.6 62 64 A P E -B 22 0A 1 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.473 21.4-126.9 -77.5 154.8 1.0 -7.2 6.7 63 65 A D - 0 0 1 -42,-2.8 -42,-0.3 -2,-0.1 3,-0.1 -0.888 37.6-117.0 -90.6 123.0 1.3 -9.0 10.0 64 66 A L > - 0 0 2 -2,-0.6 3,-2.3 1,-0.1 6,-0.3 -0.156 44.9 -76.6 -57.1 154.6 2.8 -6.5 12.5 65 67 A I T 3 S+ 0 0 1 1,-0.3 7,-0.1 17,-0.1 -1,-0.1 -0.245 122.5 17.4 -54.8 137.6 6.2 -7.4 13.9 66 68 A G T 3 S+ 0 0 1 5,-2.4 2,-0.3 1,-0.2 -1,-0.3 0.512 115.8 90.3 77.7 4.0 5.9 -10.1 16.6 67 69 A M S X S- 0 0 0 -3,-2.3 3,-2.2 4,-0.2 -1,-0.2 -0.847 82.1 -8.5-131.8 162.5 2.4 -11.0 15.3 68 70 A G T 3 S- 0 0 9 -27,-0.3 -26,-0.1 -2,-0.3 -3,-0.0 -0.241 125.0 -25.4 57.4-134.0 0.9 -13.4 12.8 69 71 A K T 3 S+ 0 0 86 -48,-0.1 -1,-0.3 -4,-0.0 -47,-0.1 0.283 110.5 111.0 -96.3 5.8 3.4 -15.1 10.6 70 72 A S S < S- 0 0 6 -3,-2.2 -50,-0.2 -6,-0.3 -6,-0.1 -0.378 77.7 -85.7 -76.7 160.9 6.0 -12.3 11.0 71 73 A D - 0 0 56 -52,-3.1 -5,-2.4 1,-0.1 -4,-0.2 -0.130 30.4-129.9 -65.4 164.5 9.2 -12.8 13.0 72 74 A K - 0 0 74 -7,-0.1 -1,-0.1 -6,-0.1 -7,-0.0 -0.635 27.2-177.4-121.8 67.1 9.6 -12.4 16.7 73 75 A P - 0 0 15 0, 0.0 2,-1.8 0, 0.0 -55,-0.0 -0.223 42.9-100.4 -63.3 158.0 12.5 -10.1 17.6 74 76 A D S S+ 0 0 168 2,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.598 71.9 142.1 -83.1 82.6 13.3 -9.5 21.2 75 77 A L - 0 0 35 -2,-1.8 123,-0.0 1,-0.1 0, 0.0 -0.768 64.3-124.6-115.2 164.0 11.6 -6.1 21.5 76 78 A D - 0 0 100 -2,-0.3 126,-0.1 126,-0.0 -1,-0.1 0.645 43.7-138.4 -79.7 -16.9 9.6 -4.4 24.2 77 79 A Y + 0 0 9 1,-0.1 2,-0.0 125,-0.1 -3,-0.0 0.839 38.9 165.4 60.8 37.7 6.9 -3.9 21.5 78 80 A F >> - 0 0 64 1,-0.1 4,-1.6 127,-0.0 3,-0.9 -0.350 56.4 -98.8 -65.8 162.8 6.0 -0.4 22.4 79 81 A F H 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 126.3 60.1 -49.9 -42.5 4.0 1.5 19.8 80 82 A D H 3> S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 99.9 55.7 -60.4 -31.9 7.2 3.1 18.6 81 83 A D H <> S+ 0 0 28 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.942 110.0 45.7 -59.4 -50.6 8.6 -0.3 17.8 82 84 A H H X S+ 0 0 1 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.869 109.2 55.2 -62.3 -37.3 5.6 -0.9 15.6 83 85 A V H X S+ 0 0 10 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.936 109.4 47.8 -58.8 -47.3 5.9 2.5 14.0 84 86 A R H X S+ 0 0 120 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.935 114.7 43.8 -61.7 -49.3 9.5 1.7 13.0 85 87 A Y H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.918 115.5 47.3 -68.0 -40.8 8.7 -1.7 11.5 86 88 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.928 111.0 51.7 -69.4 -39.2 5.6 -0.6 9.6 87 89 A D H X S+ 0 0 41 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.927 113.6 44.9 -56.5 -46.0 7.4 2.5 8.2 88 90 A A H X S+ 0 0 25 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.844 109.7 55.2 -72.2 -28.2 10.2 0.2 7.0 89 91 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.940 108.0 48.9 -63.1 -49.8 7.7 -2.4 5.6 90 92 A I H <>S+ 0 0 1 -4,-2.4 5,-2.0 1,-0.2 4,-0.3 0.916 114.5 45.3 -60.0 -43.7 6.0 0.3 3.5 91 93 A E H ><5S+ 0 0 104 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.876 107.5 58.0 -68.4 -36.6 9.4 1.5 2.2 92 94 A A H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 108.6 46.2 -64.1 -31.5 10.6 -2.1 1.6 93 95 A L T 3<5S- 0 0 36 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.477 111.3-124.6 -85.7 -1.3 7.6 -2.7 -0.7 94 96 A G T < 5 + 0 0 49 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.782 43.7 176.8 63.5 30.3 8.2 0.7 -2.5 95 97 A L < + 0 0 8 -5,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.413 12.4 176.0 -68.9 144.2 4.7 1.9 -1.8 96 98 A E + 0 0 142 1,-0.5 2,-0.3 -2,-0.1 -1,-0.1 0.609 64.4 7.5-109.4 -92.8 4.0 5.4 -3.0 97 99 A E S S- 0 0 63 24,-0.1 -1,-0.5 25,-0.0 2,-0.3 -0.730 75.3-178.6 -94.0 145.7 0.3 6.4 -2.5 98 100 A V E - e 0 121A 0 22,-2.9 24,-2.8 -2,-0.3 25,-0.6 -0.900 30.8-131.3-135.5 158.6 -2.0 4.1 -0.6 99 101 A V E -de 33 123A 2 -67,-2.5 -65,-3.2 -2,-0.3 2,-0.4 -0.959 33.6-141.5-102.2 132.6 -5.6 3.7 0.6 100 102 A L E -de 34 124A 2 23,-2.4 25,-3.0 -2,-0.4 2,-0.4 -0.826 20.5-176.6 -98.7 137.1 -5.7 2.8 4.3 101 103 A V E +de 35 125A 0 -67,-2.6 -65,-2.4 -2,-0.4 2,-0.3 -0.979 29.4 172.9-127.5 109.0 -8.1 0.3 5.9 102 104 A I E +de 36 126A 0 23,-2.4 25,-1.1 -2,-0.4 2,-0.3 -0.904 24.3 177.7-137.7 150.8 -7.4 0.3 9.6 103 105 A H E >> - e 0 127A 0 -67,-1.5 3,-1.7 -2,-0.3 4,-0.7 -0.994 57.6 -29.0-143.4 145.8 -8.6 -1.0 13.0 104 106 A D H >> S- e 0 129A 12 24,-1.5 4,-1.5 23,-0.6 3,-1.0 -0.145 132.9 -2.2 51.7-129.1 -7.4 -0.7 16.7 105 107 A W H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.789 133.7 63.7 -66.1 -24.6 -3.6 -0.3 16.9 106 108 A G H <> S+ 0 0 0 -3,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.845 101.9 51.0 -63.0 -30.0 -3.6 -0.6 13.1 107 109 A S H < S+ 0 0 29 -4,-1.4 3,-2.0 -3,-0.4 -1,-0.2 -0.458 70.5 156.0-133.6 56.5 2.8 11.4 4.9 118 120 A P G > S+ 0 0 60 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.822 70.5 58.0 -66.8 -28.6 -0.4 13.3 4.0 119 121 A E G 3 S+ 0 0 139 1,-0.2 -5,-0.1 -3,-0.1 -3,-0.0 0.583 103.6 56.6 -72.9 -12.9 0.3 13.5 0.3 120 122 A R G < S+ 0 0 40 -3,-2.0 -22,-2.9 -6,-0.2 2,-0.6 0.356 86.6 85.1-103.6 6.7 0.5 9.7 0.2 121 123 A V E < +e 98 0A 13 -3,-1.2 -22,-0.2 -4,-0.2 3,-0.1 -0.936 45.7 177.0-114.0 114.4 -2.9 8.8 1.6 122 124 A K E - 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0 0 7 -27,-2.9 -26,-0.2 -2,-0.6 -1,-0.1 0.486 34.2-128.8 -92.2 -2.5 -22.9 -2.5 10.5 266 268 A G E S+ 0 0 23 -28,-0.4 -26,-1.9 2,-0.1 -1,-0.3 -0.710 74.1 22.6 88.9-147.0 -25.5 -3.4 13.1 267 269 A P E S+g 240 0A 88 0, 0.0 2,-0.3 0, 0.0 -91,-0.1 -0.288 79.5 138.0 -57.1 136.2 -24.4 -5.4 16.2 268 270 A G E -g 241 0A 0 -28,-2.0 -26,-2.8 -93,-0.1 -93,-0.1 -0.917 31.7-177.1-175.6 151.5 -20.8 -5.0 17.0 269 271 A L S S- 0 0 24 -95,-0.4 -26,-0.5 -2,-0.3 -30,-0.2 0.482 74.2 -42.4-118.2 -97.3 -18.3 -4.6 19.9 270 272 A H S S+ 0 0 9 -96,-1.8 2,-1.8 -28,-0.2 3,-0.2 0.831 127.0 56.7-107.5 -48.1 -14.7 -4.2 18.9 271 273 A Y >> + 0 0 1 -97,-2.0 3,-2.2 -100,-0.2 4,-0.5 -0.513 61.6 166.6 -88.4 70.3 -13.8 -6.7 16.1 272 274 A L H >> + 0 0 0 -2,-1.8 4,-2.4 1,-0.3 3,-1.2 0.799 67.5 69.4 -57.8 -31.2 -16.5 -5.5 13.7 273 275 A Q H 34 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.2 -225,-0.1 0.720 97.3 51.9 -58.8 -25.9 -14.9 -7.4 10.9 274 276 A E H <4 S+ 0 0 1 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.601 112.9 44.2 -88.7 -14.0 -15.9 -10.7 12.6 275 277 A D H << S+ 0 0 28 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.811 133.4 6.7 -95.6 -40.4 -19.6 -9.6 12.9 276 278 A N X + 0 0 44 -4,-2.4 4,-1.9 1,-0.1 5,-0.2 -0.404 67.7 150.9-141.2 60.1 -20.3 -8.0 9.5 277 279 A P H > S+ 0 0 4 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.849 72.6 59.8 -63.2 -33.1 -17.4 -8.6 7.1 278 280 A D H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 107.9 42.9 -66.0 -40.0 -19.6 -8.6 4.0 279 281 A L H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 115.8 49.3 -69.2 -41.5 -21.0 -5.1 4.5 280 282 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.970 116.3 42.4 -60.4 -49.7 -17.6 -3.7 5.5 281 283 A G H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.933 115.7 47.2 -62.7 -45.2 -16.0 -5.3 2.4 282 284 A S H X S+ 0 0 47 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.895 112.9 49.4 -67.9 -36.8 -18.7 -4.4 -0.1 283 285 A E H X S+ 0 0 32 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.881 109.7 50.6 -71.1 -37.2 -18.9 -0.8 1.2 284 286 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 3,-0.3 0.951 110.9 50.2 -60.0 -46.4 -15.2 -0.3 0.9 285 287 A A H < S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.874 111.4 47.7 -58.4 -40.6 -15.3 -1.7 -2.6 286 288 A R H < S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.783 114.6 47.6 -68.5 -30.6 -18.2 0.7 -3.5 287 289 A W H >< S+ 0 0 26 -4,-1.7 3,-1.4 -3,-0.3 4,-0.4 0.794 93.5 75.7 -83.3 -30.3 -16.4 3.7 -2.0 288 290 A L G >< S+ 0 0 4 -4,-2.1 3,-2.4 1,-0.3 4,-0.3 0.875 89.8 53.2 -57.0 -50.4 -12.9 3.2 -3.5 289 291 A P G > S+ 0 0 83 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.721 98.4 68.1 -62.6 -17.0 -13.6 4.4 -7.1 290 292 A A G < S+ 0 0 77 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.590 79.5 76.9 -71.7 -14.2 -15.0 7.7 -5.5 291 293 A L G < 0 0 19 -3,-2.4 -1,-0.2 -4,-0.4 -3,-0.1 0.641 360.0 360.0 -72.7 -12.8 -11.4 8.5 -4.4 292 294 A H < 0 0 208 -3,-1.1 0, 0.0 -4,-0.3 0, 0.0 -0.109 360.0 360.0 -36.5 360.0 -11.0 9.5 -8.1