==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-09 3G9X . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR J.A.GAVIRA,A.STSIAPANAVA,M.KUTY,M.LAPKOUSKI,J.DOHNALEK,I.KUT . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11857.0 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 . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 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 . 1 0.3 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 . 16 5.4 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 29.3 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 4 A I 0 0 103 0, 0.0 2,-0.1 0, 0.0 272,-0.0 0.000 360.0 360.0 360.0 128.9 13.4 13.6 -4.7 2 5 A G - 0 0 36 1,-0.1 45,-0.1 45,-0.0 44,-0.0 -0.336 360.0-171.6 -69.0 143.1 10.3 15.3 -6.1 3 6 A T + 0 0 50 -2,-0.1 -1,-0.1 43,-0.1 182,-0.1 0.555 55.9 92.0-106.0 -14.1 7.7 16.7 -3.7 4 7 A G - 0 0 38 42,-0.0 -2,-0.0 2,-0.0 178,-0.0 -0.288 63.3-143.2 -82.5 168.4 5.0 17.6 -6.2 5 8 A F + 0 0 34 -2,-0.1 2,-1.8 42,-0.0 38,-0.0 -0.698 20.8 176.8-129.2 77.8 2.0 15.6 -7.4 6 9 A P + 0 0 109 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.303 40.2 115.4 -89.5 58.9 1.7 16.5 -11.1 7 10 A F - 0 0 24 -2,-1.8 17,-0.1 17,-0.0 -2,-0.0 -0.986 64.5-124.9-129.2 128.9 -1.2 14.1 -11.8 8 11 A D - 0 0 127 -2,-0.4 15,-0.4 1,-0.1 2,-0.2 -0.381 35.4-108.2 -66.7 143.1 -4.7 15.1 -12.8 9 12 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 13,-0.1 -0.516 33.3-174.6 -75.8 141.9 -7.5 13.7 -10.6 10 13 A H E -A 21 0A 57 11,-1.2 11,-2.3 -2,-0.2 2,-0.4 -0.971 5.3-166.8-125.2 149.7 -9.8 11.0 -11.8 11 14 A Y E -A 20 0A 84 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 8.1-171.3-138.4 147.1 -12.7 9.7 -9.8 12 15 A V E -A 19 0A 26 7,-1.9 7,-2.8 -2,-0.4 2,-0.6 -0.996 23.7-127.7-136.5 139.5 -15.0 6.7 -10.1 13 16 A E E +A 18 0A 123 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.795 38.3 162.0 -80.5 111.5 -18.2 6.0 -8.1 14 17 A V E > -A 17 0A 11 3,-2.8 3,-2.0 -2,-0.6 74,-0.1 -0.998 64.8 -7.1-139.8 137.3 -18.2 2.5 -6.4 15 18 A L T 3 S- 0 0 82 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.898 129.6 -54.1 52.0 43.6 -20.3 1.2 -3.6 16 19 A G T 3 S+ 0 0 66 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.411 121.0 89.0 82.2 -0.5 -21.8 4.7 -3.1 17 20 A E E < S-A 14 0A 53 -3,-2.0 -3,-2.8 53,-0.1 2,-0.4 -0.954 74.2-115.4-136.7 147.8 -18.5 6.5 -2.7 18 21 A R E -A 13 0A 89 -2,-0.3 52,-3.2 -5,-0.2 2,-0.5 -0.660 23.0-161.8 -84.2 133.8 -16.0 8.2 -4.9 19 22 A M E -A 12 0A 1 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.3 -0.950 11.2-143.2-111.9 131.1 -12.5 6.8 -5.2 20 23 A H E +A 11 0A 0 -2,-0.5 42,-2.9 42,-0.3 2,-0.3 -0.692 26.3 170.5 -86.2 146.6 -9.7 9.1 -6.5 21 24 A Y E -AB 10 61A 22 -11,-2.3 -11,-1.2 -2,-0.3 2,-0.3 -0.993 35.4-120.1-153.7 151.3 -7.0 7.7 -8.8 22 25 A V E + B 0 60A 0 38,-2.0 38,-2.0 -2,-0.3 2,-0.3 -0.704 30.6 179.5 -79.1 140.0 -4.1 8.6 -11.0 23 26 A D E + B 0 59A 11 -15,-0.4 2,-0.3 -2,-0.3 36,-0.2 -0.819 16.7 144.0-148.6 103.3 -4.5 7.4 -14.6 24 27 A V E + B 0 58A 39 34,-2.0 34,-2.6 -2,-0.3 -2,-0.0 -0.891 31.5 47.0-132.7 164.4 -1.8 8.2 -17.1 25 28 A G S S- 0 0 34 -2,-0.3 32,-0.2 32,-0.3 28,-0.1 -0.195 90.0 -28.4 94.1 173.9 -0.1 6.4 -20.0 26 29 A P - 0 0 52 0, 0.0 31,-0.4 0, 0.0 3,-0.3 -0.245 42.8-148.2 -67.5 151.2 -1.4 4.6 -23.1 27 30 A R S S+ 0 0 158 1,-0.2 29,-0.0 29,-0.1 -2,-0.0 0.374 80.1 78.2 -96.6 -2.4 -4.7 2.8 -23.1 28 31 A D S S+ 0 0 151 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.171 90.3 42.6-102.3 20.8 -3.9 -0.1 -25.5 29 32 A G S S- 0 0 55 -3,-0.3 27,-0.1 0, 0.0 262,-0.0 -0.472 100.3 -49.5-137.9-154.5 -1.9 -2.5 -23.3 30 33 A T - 0 0 18 -2,-0.2 27,-0.2 64,-0.1 67,-0.2 -0.811 58.7-132.9 -93.0 121.5 -1.7 -4.1 -19.9 31 34 A P - 0 0 10 0, 0.0 67,-2.4 0, 0.0 2,-0.6 -0.374 4.8-131.9 -77.4 156.0 -2.0 -1.5 -17.1 32 35 A V E -cd 58 98A 0 25,-2.7 27,-2.8 65,-0.2 2,-0.6 -0.948 19.9-155.6-107.0 117.6 0.2 -1.3 -14.1 33 36 A L E -cd 59 99A 0 65,-3.0 67,-2.6 -2,-0.6 2,-0.5 -0.895 3.9-159.3-104.8 118.0 -1.8 -1.0 -10.8 34 37 A F E - d 0 100A 0 25,-2.7 2,-0.5 -2,-0.6 67,-0.2 -0.872 6.2-167.3-102.2 122.5 -0.0 0.7 -7.9 35 38 A L E - d 0 101A 1 65,-2.6 67,-1.6 -2,-0.5 70,-0.2 -0.937 2.4-163.8-122.0 111.7 -1.4 -0.0 -4.4 36 39 A H - 0 0 0 -2,-0.5 2,-0.1 25,-0.5 6,-0.1 -0.306 5.7-157.0 -78.5 172.4 -0.3 2.0 -1.4 37 40 A G > + 0 0 0 67,-0.2 3,-1.3 4,-0.2 -1,-0.1 -0.199 41.9 6.4-127.0-142.9 -0.8 1.1 2.3 38 41 A N T 3 S- 0 0 3 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.784 121.6 -10.2 -97.9 134.4 -1.0 2.8 5.7 39 42 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 160,-0.1 -0.559 115.9 84.8-105.0 46.4 -1.0 5.9 6.2 40 43 A T < - 0 0 2 -3,-1.3 27,-0.3 26,-0.1 2,-0.3 0.070 49.2-160.7-101.1-160.5 -0.2 6.8 2.6 41 44 A S > - 0 0 11 25,-0.1 3,-2.1 21,-0.1 4,-0.3 -0.898 57.1 -58.3-162.4-172.0 -2.0 7.4 -0.7 42 45 A S G > S+ 0 0 2 1,-0.3 3,-1.9 -2,-0.3 4,-0.2 0.740 121.2 80.3 -57.2 -19.3 -1.1 7.6 -4.4 43 46 A Y G > S+ 0 0 6 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.831 80.7 66.3 -53.7 -33.9 1.3 10.4 -3.4 44 47 A L G < S+ 0 0 2 -3,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.749 102.2 46.1 -59.7 -27.3 3.7 7.6 -2.3 45 48 A W G X> S+ 0 0 0 -3,-1.9 4,-2.6 -4,-0.3 3,-1.5 0.356 79.6 109.0 -95.7 3.2 4.0 6.5 -6.0 46 49 A R T <4 S+ 0 0 2 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.742 84.3 38.5 -58.2 -33.1 4.6 10.1 -7.4 47 50 A N T 34 S+ 0 0 30 -3,-0.3 -1,-0.3 -4,-0.2 233,-0.1 0.435 117.2 51.2 -99.4 -1.3 8.3 9.6 -8.2 48 51 A I T X> S+ 0 0 1 -3,-1.5 3,-1.8 2,-0.1 4,-0.7 0.814 97.4 64.2 -96.6 -47.2 7.9 6.0 -9.4 49 52 A I H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 3,-1.4 0.854 91.7 64.4 -47.2 -44.1 5.1 6.5 -11.9 50 53 A P H 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.767 99.7 54.0 -61.7 -20.9 7.1 8.7 -14.3 51 54 A H H <4 S+ 0 0 59 -3,-1.8 -2,-0.2 2,-0.1 4,-0.1 0.776 118.2 34.2 -75.5 -29.0 9.5 5.9 -15.0 52 55 A V H XX S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.7 3,-1.9 0.821 99.5 75.0 -95.6 -39.5 6.6 3.6 -16.0 53 56 A A T 3< S+ 0 0 22 -4,-2.8 -2,-0.1 1,-0.3 -1,-0.1 0.746 84.4 68.2 -49.7 -33.9 4.1 5.9 -17.7 54 57 A P T 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.846 119.4 18.5 -57.5 -32.1 6.2 6.3 -20.9 55 58 A S T <4 S+ 0 0 63 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.638 128.1 32.6-109.9 -23.7 5.5 2.6 -21.8 56 59 A H S < S- 0 0 35 -4,-2.0 -1,-0.2 -27,-0.1 2,-0.1 -0.989 80.2 -99.9-142.0 147.4 2.5 1.5 -19.7 57 60 A R - 0 0 35 -31,-0.4 -25,-2.7 -2,-0.3 2,-0.5 -0.447 36.7-152.5 -61.2 138.2 -0.7 2.8 -18.3 58 61 A C E -Bc 24 32A 0 -34,-2.6 -34,-2.0 -27,-0.2 2,-0.5 -0.987 13.3-176.4-119.3 123.0 -0.3 3.6 -14.6 59 62 A I E +Bc 23 33A 0 -27,-2.8 -25,-2.7 -2,-0.5 -36,-0.2 -0.990 5.0 174.2-120.6 121.7 -3.4 3.4 -12.3 60 63 A A E -B 22 0A 0 -38,-2.0 -38,-2.0 -2,-0.5 2,-0.1 -0.834 11.2-166.8-133.1 94.3 -2.9 4.4 -8.7 61 64 A P E -B 21 0A 1 0, 0.0 2,-0.6 0, 0.0 -25,-0.5 -0.477 21.7-127.4 -78.7 153.9 -6.0 4.5 -6.6 62 65 A D - 0 0 1 -42,-2.9 -42,-0.3 -2,-0.1 3,-0.1 -0.881 37.9-116.3 -90.5 123.3 -6.4 6.1 -3.1 63 66 A L > - 0 0 2 -2,-0.6 3,-2.3 1,-0.1 6,-0.3 -0.180 45.2 -77.8 -55.8 154.5 -7.9 3.4 -0.9 64 67 A I T 3 S+ 0 0 1 1,-0.3 -1,-0.1 17,-0.1 7,-0.1 -0.229 122.4 18.8 -56.2 139.0 -11.3 4.2 0.5 65 68 A G T 3 S+ 0 0 1 5,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.531 115.5 88.1 78.4 1.7 -11.1 6.6 3.4 66 69 A M S X S- 0 0 0 -3,-2.3 3,-2.2 4,-0.2 -1,-0.2 -0.849 83.4 -6.7-131.1 162.7 -7.6 7.7 2.3 67 70 A G T 3 S- 0 0 10 -27,-0.3 -26,-0.1 -2,-0.3 -3,-0.0 -0.252 125.8 -25.6 58.6-136.3 -6.0 10.2 0.0 68 71 A K T 3 S+ 0 0 86 -48,-0.1 -1,-0.3 2,-0.0 -47,-0.1 0.311 109.4 113.7 -94.1 5.4 -8.6 12.1 -2.1 69 72 A S S < S- 0 0 6 -3,-2.2 -50,-0.2 -6,-0.3 -6,-0.1 -0.324 76.8 -87.7 -71.9 159.4 -11.1 9.3 -1.9 70 73 A D - 0 0 48 -52,-3.2 -5,-2.3 1,-0.1 -4,-0.2 -0.147 31.1-129.6 -64.2 166.3 -14.4 9.7 -0.0 71 74 A K - 0 0 77 -7,-0.1 -1,-0.1 -6,-0.1 -7,-0.0 -0.620 25.7-178.0-124.9 69.1 -14.7 9.0 3.7 72 75 A P - 0 0 13 0, 0.0 2,-1.8 0, 0.0 -55,-0.0 -0.335 43.6-104.4 -59.4 151.5 -17.7 6.7 4.4 73 76 A D + 0 0 166 2,-0.0 2,-0.3 124,-0.0 122,-0.0 -0.650 69.3 148.5 -78.1 82.9 -18.2 6.0 8.1 74 77 A L - 0 0 30 -2,-1.8 123,-0.0 1,-0.1 0, 0.0 -0.747 63.1-123.5-110.4 168.3 -16.8 2.5 8.0 75 78 A D - 0 0 99 -2,-0.3 126,-0.1 126,-0.0 -1,-0.1 0.738 44.0-139.4 -75.8 -23.4 -14.9 0.4 10.4 76 79 A Y + 0 0 9 1,-0.2 -3,-0.0 125,-0.1 5,-0.0 0.805 37.3 167.9 64.2 36.5 -12.2 0.1 7.7 77 80 A F >> - 0 0 65 1,-0.1 4,-1.7 127,-0.0 3,-1.0 -0.294 54.4-101.8 -61.6 159.7 -11.5 -3.5 8.3 78 81 A F H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.910 124.9 61.8 -50.2 -42.9 -9.3 -5.2 5.6 79 82 A D H 3> S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.836 100.0 54.0 -57.2 -34.9 -12.6 -6.7 4.2 80 83 A D H <> S+ 0 0 27 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.934 109.9 47.0 -61.5 -47.6 -13.9 -3.1 3.6 81 84 A H H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.886 109.5 53.8 -60.7 -37.7 -10.8 -2.3 1.6 82 85 A V H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.930 109.8 48.0 -59.7 -48.0 -11.1 -5.6 -0.3 83 86 A R H X S+ 0 0 117 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.938 114.7 44.4 -60.8 -46.9 -14.7 -4.8 -1.3 84 87 A Y H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.930 115.9 45.8 -68.6 -41.8 -13.9 -1.3 -2.5 85 88 A L H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.918 110.8 53.4 -70.6 -37.3 -10.8 -2.2 -4.4 86 89 A D H X S+ 0 0 44 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.935 112.9 44.6 -56.0 -45.7 -12.5 -5.2 -6.1 87 90 A A H X S+ 0 0 25 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.891 110.5 54.8 -69.9 -36.7 -15.3 -2.9 -7.2 88 91 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.933 107.7 49.6 -56.0 -51.3 -12.7 -0.2 -8.3 89 92 A I H <>S+ 0 0 1 -4,-2.6 5,-1.8 1,-0.2 4,-0.3 0.933 113.8 44.7 -61.1 -42.2 -10.9 -2.7 -10.6 90 93 A E H ><5S+ 0 0 104 -4,-2.0 3,-1.5 -5,-0.2 -1,-0.2 0.891 107.9 58.5 -69.0 -35.6 -14.1 -3.9 -12.2 91 94 A A H 3<5S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 105.8 49.9 -63.4 -31.9 -15.4 -0.3 -12.6 92 95 A L T 3<5S- 0 0 31 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.467 111.9-123.0 -82.9 -3.4 -12.3 0.5 -14.7 93 96 A G T < 5 + 0 0 48 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.1 0.763 46.6 173.6 71.6 24.1 -12.8 -2.6 -16.8 94 97 A L < + 0 0 8 -5,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.441 12.1 170.0 -69.2 141.3 -9.4 -3.9 -16.0 95 98 A E + 0 0 154 1,-0.5 2,-0.3 -2,-0.1 -1,-0.1 0.639 65.4 11.9-109.6 -95.8 -8.7 -7.4 -17.4 96 99 A E S S+ 0 0 76 24,-0.1 -1,-0.5 25,-0.0 2,-0.3 -0.634 76.6 176.5 -84.9 147.3 -5.0 -8.4 -17.0 97 100 A V E - e 0 120A 0 22,-2.8 24,-3.0 -2,-0.3 25,-0.6 -0.949 32.7-131.1-140.4 163.3 -2.8 -6.2 -14.9 98 101 A V E -de 32 122A 3 -67,-2.4 -65,-3.0 -2,-0.3 2,-0.4 -0.967 33.1-141.3-108.4 134.3 0.7 -5.9 -13.5 99 102 A L E -de 33 123A 2 23,-2.5 25,-3.1 -2,-0.4 2,-0.4 -0.824 19.5-174.8-100.1 138.5 0.7 -5.2 -9.7 100 103 A V E +de 34 124A 0 -67,-2.6 -65,-2.6 -2,-0.4 2,-0.3 -0.981 28.7 175.2-127.8 109.9 3.0 -2.8 -7.9 101 104 A I E +de 35 125A 0 23,-2.6 25,-1.1 -2,-0.4 2,-0.3 -0.917 24.0 179.1-137.1 151.8 2.3 -3.2 -4.2 102 105 A H E >> - e 0 126A 0 -67,-1.6 3,-1.9 -2,-0.3 4,-0.6 -0.999 57.9 -34.9-144.9 138.6 3.4 -2.1 -0.7 103 106 A D H >> S+ e 0 128A 13 24,-1.5 4,-1.6 23,-0.7 3,-1.1 -0.158 132.5 0.3 55.7-129.6 2.1 -2.8 2.9 104 107 A W H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.811 132.8 63.3 -65.9 -22.8 -1.7 -3.1 3.0 105 108 A G H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.847 102.2 50.4 -64.7 -31.0 -1.6 -2.5 -0.7 106 109 A S H < S+ 0 0 27 -4,-1.4 3,-2.0 -3,-0.4 -1,-0.2 -0.393 70.2 153.5-136.8 52.1 -7.7 -13.8 -10.0 117 120 A P G > + 0 0 62 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.810 69.9 60.1 -66.1 -28.8 -4.4 -15.5 -11.0 118 121 A E G 3 S+ 0 0 130 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.602 103.0 55.4 -70.6 -10.6 -5.0 -15.6 -14.7 119 122 A R G < S+ 0 0 36 -3,-2.0 -22,-2.8 -6,-0.2 2,-0.6 0.355 87.9 86.4-102.6 4.3 -5.2 -11.8 -14.6 120 123 A V E < +e 97 0A 14 -3,-1.4 -22,-0.2 -24,-0.2 3,-0.1 -0.926 43.9 175.5-113.4 114.8 -1.9 -11.1 -13.0 121 124 A K E - 0 0 35 -24,-3.0 2,-0.3 -2,-0.6 -23,-0.2 0.616 69.8 -12.9 -90.4 -15.8 1.1 -10.8 -15.4 122 125 A G E -e 98 0A 0 -25,-0.6 -23,-2.5 109,-0.1 2,-0.4 -0.913 55.5-140.1-175.7 157.0 3.7 -9.8 -12.8 123 126 A I E -ef 99 233A 0 109,-2.3 111,-2.4 -2,-0.3 2,-0.5 -0.973 8.5-171.7-134.6 117.5 4.0 -8.6 -9.3 124 127 A A E +ef 100 234A 0 -25,-3.1 -23,-2.6 -2,-0.4 2,-0.3 -0.933 25.8 171.6 -99.8 127.5 6.5 -5.9 -8.1 125 128 A C E +ef 101 235A 4 109,-2.9 111,-2.5 -2,-0.5 2,-0.3 -0.911 18.6 178.0-140.1 162.9 6.4 -5.8 -4.3 126 129 A M E +ef 102 236A 0 -25,-1.1 -23,-0.7 -2,-0.3 111,-0.1 -0.925 69.2 0.2-163.6 137.5 8.3 -4.2 -1.4 127 130 A E E S+ 0 0 1 109,-0.6 -24,-1.5 -2,-0.3 -21,-0.2 0.908 88.4 176.2 45.9 54.8 7.9 -4.2 2.4 128 131 A F E -e 103 0A 0 -26,-0.2 2,-0.5 -22,-0.1 -1,-0.1 -0.463 32.7 -95.3 -98.6 162.9 4.9 -6.5 2.1 129 132 A I + 0 0 0 -26,-0.7 -1,-0.1 -2,-0.2 115,-0.0 -0.655 47.2 155.3 -86.4 126.7 2.6 -8.1 4.6 130 133 A R - 0 0 42 -2,-0.5 2,-0.1 113,-0.1 90,-0.1 -0.873 52.9 -77.1-131.6 165.4 3.3 -11.7 5.7 131 134 A P - 0 0 34 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.442 30.6-152.6 -68.0 144.2 2.3 -13.4 9.0 132 135 A F B -h 208 0B 15 75,-2.6 77,-2.7 1,-0.1 78,-0.5 -0.949 10.5-162.3-107.6 97.6 4.4 -12.6 12.0 133 136 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.833 70.9 7.5 -63.9 -31.9 3.8 -15.8 14.0 134 137 A T S > S- 0 0 66 75,-0.1 3,-1.7 -3,-0.1 4,-0.5 -0.935 82.2-103.9-135.2 164.9 5.0 -14.3 17.2 135 138 A W G > S+ 0 0 55 -2,-0.3 3,-1.0 1,-0.3 12,-0.0 0.758 115.1 70.9 -60.6 -22.4 5.9 -10.8 18.4 136 139 A D G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -4,-0.0 4,-0.2 0.749 92.3 56.8 -65.1 -25.3 9.5 -11.9 18.2 137 140 A E G < S+ 0 0 89 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.661 90.2 88.0 -78.8 -17.6 9.3 -11.9 14.5 138 141 A W S < S- 0 0 5 -3,-1.0 5,-0.1 -4,-0.5 105,-0.1 -0.582 100.8 -90.6 -78.0 140.3 8.2 -8.2 14.5 139 142 A P > - 0 0 27 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.286 32.6-132.3 -61.1 132.7 11.2 -5.8 14.4 140 143 A E G >> S+ 0 0 156 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.843 100.6 60.2 -54.3 -40.5 12.2 -4.9 17.9 141 144 A F G 34 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.773 114.6 36.6 -62.8 -23.4 12.4 -1.1 17.4 142 145 A A G <> S+ 0 0 6 -3,-1.5 4,-2.1 2,-0.1 -1,-0.3 0.309 92.2 94.3-108.9 4.3 8.7 -1.1 16.5 143 146 A R H <> S+ 0 0 57 -3,-1.5 4,-2.5 -4,-0.5 5,-0.2 0.963 86.7 41.8 -70.9 -52.3 7.4 -3.8 18.9 144 147 A E H X S+ 0 0 149 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.925 115.8 53.2 -60.1 -40.2 6.2 -1.7 21.9 145 148 A T H > S+ 0 0 66 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.950 112.1 42.1 -60.3 -48.3 4.7 0.9 19.5 146 149 A F H X S+ 0 0 24 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.855 110.3 56.9 -73.1 -29.4 2.7 -1.6 17.6 147 150 A Q H < S+ 0 0 61 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.903 111.1 45.0 -61.9 -38.9 1.6 -3.4 20.7 148 151 A A H >< S+ 0 0 29 -4,-2.1 3,-0.6 -5,-0.2 7,-0.3 0.873 108.6 55.9 -70.6 -39.6 0.3 -0.0 21.9 149 152 A F H 3< S+ 0 0 6 -4,-2.5 2,-1.2 1,-0.3 -1,-0.2 0.864 97.2 67.2 -56.3 -36.5 -1.4 0.7 18.6 150 153 A R T 3< S+ 0 0 37 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.3 -0.229 85.9 91.7 -87.7 47.9 -3.3 -2.6 18.8 151 154 A T S < S- 0 0 45 -2,-1.2 5,-0.4 -3,-0.6 53,-0.1 -0.972 74.5-131.4-137.6 155.9 -5.4 -1.5 21.8 152 155 A A S S+ 0 0 77 -2,-0.3 -1,-0.0 3,-0.2 -3,-0.0 0.636 103.4 30.0 -81.6 -19.6 -8.8 0.2 22.0 153 156 A D S > S+ 0 0 114 -5,-0.1 4,-2.4 3,-0.1 3,-0.3 0.797 128.5 28.4-104.3 -73.2 -7.7 2.8 24.5 154 157 A V H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.875 120.4 55.0 -62.3 -37.5 -4.0 3.8 24.0 155 158 A G H > S+ 0 0 0 -7,-0.3 4,-2.6 1,-0.2 5,-0.4 0.890 109.9 45.4 -66.7 -37.5 -4.0 2.9 20.3 156 159 A R H >>S+ 0 0 80 -5,-0.4 5,-2.0 -3,-0.3 4,-1.9 0.892 112.2 52.6 -69.3 -40.1 -6.9 5.2 19.6 157 160 A E H <>S+ 0 0 89 -4,-2.4 5,-1.5 3,-0.2 -2,-0.2 0.948 115.5 40.5 -57.7 -49.4 -5.3 8.0 21.7 158 161 A L H <5S+ 0 0 43 -4,-2.8 6,-2.9 3,-0.2 4,-0.4 0.954 126.5 30.4 -68.3 -49.8 -2.0 7.7 19.8 159 162 A I H <5S+ 0 0 0 -4,-2.6 6,-0.3 4,-0.2 4,-0.3 0.901 131.8 26.2 -83.5 -42.5 -3.3 7.3 16.3 160 163 A I T <5S+ 0 0 10 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.935 130.4 33.8 -85.1 -51.1 -6.6 9.1 16.2 161 164 A D T > + 0 0 11 -4,-0.3 4,-2.9 -6,-0.2 3,-0.7 0.828 46.6 162.3 59.8 37.5 -2.0 11.4 14.7 164 167 A A H 3>> + 0 0 23 -6,-2.9 5,-2.4 1,-0.2 4,-1.5 0.727 64.9 58.3 -63.2 -28.3 1.0 9.2 15.6 165 168 A F H 34>S+ 0 0 10 -6,-0.3 5,-1.9 3,-0.2 -1,-0.2 0.890 116.9 33.5 -69.7 -38.0 0.9 7.2 12.4 166 169 A I H <45S+ 0 0 0 -3,-0.7 -2,-0.2 -7,-0.2 -1,-0.1 0.911 128.8 35.3 -78.0 -49.6 1.3 10.3 10.2 167 170 A E H <5S+ 0 0 86 -4,-2.9 -3,-0.2 3,-0.1 -2,-0.2 0.708 135.0 17.3 -83.2 -21.8 3.6 12.3 12.6 168 171 A G T X5S+ 0 0 18 -4,-1.5 4,-2.2 -5,-0.4 -3,-0.2 0.751 123.7 38.4-114.4 -70.2 5.5 9.4 14.0 169 172 A A H >44 S+ 0 0 40 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.857 113.7 60.1 -66.6 -29.3 8.8 9.7 9.0 172 175 A K H 3< S+ 0 0 153 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.739 103.7 53.1 -67.7 -16.9 10.5 7.3 11.4 173 176 A C T << S+ 0 0 16 -3,-1.2 97,-2.0 -4,-1.0 96,-1.7 0.094 94.3 77.8-110.8 26.0 10.3 4.6 8.7 174 177 A V < - 0 0 6 -3,-1.4 4,-0.2 94,-0.2 93,-0.1 -0.996 69.4-151.0-122.7 131.5 12.0 6.7 6.0 175 178 A V S S+ 0 0 72 -2,-0.4 -1,-0.1 91,-0.1 92,-0.1 0.963 82.5 58.1 -71.7 -50.0 15.8 6.9 6.3 176 179 A R S S- 0 0 47 90,-0.1 2,-0.4 1,-0.1 -2,-0.1 -0.384 105.0 -94.7 -71.5 155.2 16.1 10.3 4.7 177 180 A P - 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.579 34.2-130.8 -73.3 129.1 14.2 13.2 6.3 178 181 A L - 0 0 19 -2,-0.4 2,-0.1 -4,-0.2 -4,-0.0 -0.569 26.7-123.6 -68.4 142.1 10.8 13.9 4.8 179 182 A T > - 0 0 57 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.396 18.9-110.9 -83.8 165.6 10.3 17.6 4.1 180 183 A E H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.863 119.4 55.4 -65.4 -33.5 7.4 19.7 5.5 181 184 A V H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 111.0 45.3 -62.1 -45.6 5.9 19.9 1.9 182 185 A E H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.940 112.1 51.2 -62.5 -46.4 5.9 16.1 1.7 183 186 A M H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.901 106.9 54.2 -58.4 -41.6 4.5 15.8 5.3 184 187 A D H X S+ 0 0 92 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.887 105.8 52.6 -63.3 -35.7 1.7 18.3 4.4 185 188 A H H < S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.926 114.0 43.4 -61.3 -42.4 0.7 16.1 1.4 186 189 A Y H < S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.847 115.0 49.7 -70.2 -33.6 0.5 13.1 3.8 187 190 A R H >< S+ 0 0 39 -4,-2.6 3,-2.1 -5,-0.2 4,-0.2 0.777 88.9 84.7 -70.9 -31.1 -1.3 15.1 6.5 188 191 A E G >< S+ 0 0 117 -4,-1.7 3,-1.1 1,-0.3 4,-0.2 0.834 87.7 47.8 -53.9 -45.0 -4.0 16.5 4.2 189 192 A P G 3 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.701 117.5 44.6 -65.9 -17.1 -6.5 13.6 4.2 190 193 A F G < + 0 0 1 -3,-2.1 -2,-0.2 -4,-0.2 6,-0.1 0.106 67.9 119.5-120.6 20.2 -6.3 13.4 8.0 191 194 A L S < S+ 0 0 114 -3,-1.1 -1,-0.1 -4,-0.2 -3,-0.1 0.816 72.2 63.0 -58.9 -33.3 -6.5 17.0 9.2 192 195 A K S > S- 0 0 144 -3,-0.2 3,-1.8 -4,-0.2 4,-0.2 -0.864 85.0-140.5 -94.7 122.4 -9.7 16.2 11.1 193 196 A P G > S+ 0 0 56 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.841 96.6 61.3 -49.4 -43.1 -9.0 13.6 13.8 194 197 A V G > S+ 0 0 116 1,-0.3 3,-1.0 2,-0.1 -33,-0.1 0.788 94.1 65.7 -59.6 -25.4 -12.2 11.6 13.4 195 198 A D G < S+ 0 0 52 -3,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.468 80.1 83.9 -75.4 1.9 -11.2 10.8 9.8 196 199 A R G X> + 0 0 21 -3,-2.3 3,-1.0 1,-0.2 4,-1.0 0.364 52.2 111.3 -88.0 5.4 -8.2 8.8 11.1 197 200 A E H X> S+ 0 0 40 -3,-1.0 4,-2.6 1,-0.3 3,-1.0 0.879 75.2 52.4 -45.5 -50.3 -10.2 5.6 11.7 198 201 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.858 103.4 59.4 -58.9 -32.1 -8.5 3.6 8.8 199 202 A L H <4 S+ 0 0 0 -3,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.767 112.6 38.1 -68.4 -28.9 -5.1 4.5 10.3 200 203 A W H X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.6 0.925 104.1 43.2 -54.3 -53.2 -5.0 -1.1 9.8 203 206 A P H >4 S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.838 111.1 57.8 -64.6 -29.8 -2.4 -1.9 12.5 204 207 A N H 3< S+ 0 0 24 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.693 105.9 50.9 -67.4 -20.7 -5.1 -3.8 14.4 205 208 A E H << S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-1.1 -3,-0.1 0.554 80.3 118.7 -89.3 -12.0 -5.6 -5.9 11.3 206 209 A L S << S- 0 0 6 -3,-0.7 2,-1.5 -4,-0.6 10,-0.1 -0.288 74.9-116.0 -61.5 142.9 -1.9 -6.9 10.9 207 210 A P + 0 0 1 0, 0.0 -75,-2.6 0, 0.0 2,-0.4 -0.580 59.4 147.6 -83.9 89.2 -1.4 -10.7 11.2 208 211 A I B > -hI 132 211B 0 3,-1.9 3,-1.7 -2,-1.5 -73,-0.1 -0.988 65.1 -8.9-127.6 127.6 0.8 -10.7 14.3 209 212 A A T 3 S- 0 0 46 -77,-2.7 -1,-0.1 -2,-0.4 -75,-0.1 0.873 126.5 -57.2 56.3 39.8 0.9 -13.4 17.0 210 213 A G T 3 S+ 0 0 43 -78,-0.5 -1,-0.3 1,-0.1 6,-0.1 0.447 98.9 151.2 78.2 1.6 -2.1 -15.2 15.5 211 214 A E B < +I 208 0B 112 -3,-1.7 -3,-1.9 1,-0.2 -1,-0.1 -0.976 55.9 24.1-126.1 135.0 -4.4 -12.1 15.8 212 215 A P S > S- 0 0 13 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.541 78.4-156.7 -74.5 144.0 -6.8 -11.4 14.0 213 216 A A H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 87.5 56.6 -60.3 -37.4 -7.3 -14.9 13.0 214 217 A N H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 110.8 43.9 -62.9 -41.5 -9.2 -14.1 9.8 215 218 A I H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.918 110.5 54.9 -70.7 -41.5 -6.3 -12.0 8.5 216 219 A V H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.945 111.2 46.5 -53.3 -47.7 -3.7 -14.5 9.5 217 220 A A H X S+ 0 0 53 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.908 113.5 45.9 -64.6 -42.3 -5.5 -17.2 7.5 218 221 A L H X S+ 0 0 22 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.893 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