==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-01 1K63 . COMPND 2 MOLECULE: 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR V.A.STRELTSOV,J.DAMBORSKY,M.C.J.WILCE . 295 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 69.2 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 . 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 . 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 . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.8 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 1 1 2 0 0 0 0 1 2 1 0 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 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 2 A S 0 0 96 0, 0.0 2,-0.1 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0-179.5 3.9 19.9 -6.2 2 3 A L + 0 0 86 276,-0.0 2,-0.2 274,-0.0 273,-0.0 -0.281 360.0 139.4 -81.1 178.9 4.6 23.5 -7.2 3 4 A G - 0 0 31 -2,-0.1 43,-0.1 1,-0.1 42,-0.0 -0.656 53.3-124.9 150.0 152.6 1.6 25.8 -7.4 4 5 A A S S+ 0 0 36 -2,-0.2 -1,-0.1 2,-0.1 41,-0.1 0.548 71.6 109.5 -98.9 -9.3 0.4 29.4 -6.5 5 6 A K S S- 0 0 139 1,-0.1 180,-0.0 2,-0.1 179,-0.0 -0.434 72.1-117.0 -72.7 136.1 -2.6 28.5 -4.4 6 7 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.303 22.3-118.8 -68.2 159.2 -2.4 29.3 -0.7 7 8 A F S S- 0 0 38 1,-0.1 2,-0.3 34,-0.1 -2,-0.1 0.789 82.2 -26.9 -70.4 -30.8 -2.6 26.2 1.6 8 9 A G S S- 0 0 18 17,-0.0 2,-0.2 15,-0.0 -1,-0.1 -0.963 78.6 -72.7-165.2-176.6 -5.7 27.5 3.4 9 10 A E - 0 0 169 -2,-0.3 15,-0.5 15,-0.1 2,-0.2 -0.616 54.9-100.2 -90.5 154.4 -7.6 30.6 4.4 10 11 A K - 0 0 50 -2,-0.2 2,-0.3 13,-0.1 13,-0.2 -0.472 29.8-159.8 -75.5 138.6 -6.3 32.9 7.1 11 12 A K E -A 22 0A 89 11,-3.1 11,-2.2 -2,-0.2 2,-0.4 -0.787 15.4-140.7-108.6 160.1 -7.7 32.8 10.6 12 13 A F E -A 21 0A 80 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.964 17.9-176.0-131.7 142.5 -7.2 35.8 12.9 13 14 A I E -A 20 0A 37 7,-2.1 7,-3.0 -2,-0.4 2,-0.5 -0.994 30.6-118.3-133.8 140.0 -6.5 36.2 16.7 14 15 A E E +A 19 0A 125 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.673 34.0 179.2 -81.9 125.7 -6.3 39.5 18.6 15 16 A I E > -A 18 0A 8 3,-3.4 3,-2.4 -2,-0.5 76,-0.1 -0.970 66.1 -29.6-130.8 113.7 -2.8 40.1 20.0 16 17 A K T 3 S- 0 0 117 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.707 125.9 -44.6 54.9 26.7 -2.1 43.2 22.0 17 18 A G T 3 S+ 0 0 66 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.212 123.3 95.2 102.5 -11.4 -4.6 45.4 20.1 18 19 A R E < S-A 15 0A 72 -3,-2.4 -3,-3.4 51,-0.1 2,-0.5 -0.856 73.6-123.7-115.0 149.6 -3.6 44.0 16.7 19 20 A R E -A 14 0A 99 -2,-0.4 50,-2.6 -5,-0.2 2,-0.4 -0.747 26.6-160.5 -90.0 129.9 -5.1 41.3 14.6 20 21 A M E -A 13 0A 1 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.3 -0.925 7.0-141.8-111.9 141.5 -2.6 38.6 13.7 21 22 A A E +A 12 0A 0 -2,-0.4 40,-3.1 40,-0.3 2,-0.3 -0.746 24.8 161.4-102.8 147.4 -3.2 36.1 10.8 22 23 A Y E -AB 11 60A 22 -11,-2.2 -11,-3.1 -2,-0.3 2,-0.4 -0.991 36.1-122.0-159.1 154.8 -2.3 32.4 10.5 23 24 A I E + B 0 59A 2 36,-2.7 36,-2.1 -2,-0.3 2,-0.3 -0.818 30.9 177.2 -96.2 138.0 -3.1 29.3 8.6 24 25 A D E + B 0 58A 17 -15,-0.5 2,-0.3 -2,-0.4 34,-0.2 -0.864 7.6 162.1-146.7 107.1 -4.5 26.4 10.8 25 26 A E E + B 0 57A 70 32,-2.9 32,-3.2 -2,-0.3 30,-0.1 -0.966 40.9 3.9-130.4 147.3 -5.5 23.1 9.2 26 27 A G S S- 0 0 61 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.145 73.6 -85.7 80.5-177.1 -6.1 19.6 10.5 27 28 A T + 0 0 123 28,-0.3 2,-0.2 29,-0.1 26,-0.1 -0.914 69.0 56.6-132.7 161.4 -6.0 18.1 14.0 28 29 A G S S- 0 0 43 -2,-0.3 27,-0.1 27,-0.2 28,-0.1 -0.712 92.7 -15.5 116.0-173.0 -3.4 16.6 16.3 29 30 A D S S- 0 0 75 -2,-0.2 27,-1.6 25,-0.2 72,-0.1 -0.372 86.9 -93.7 -64.2 146.9 -0.2 17.8 17.9 30 31 A P E -c 56 0A 3 0, 0.0 72,-2.2 0, 0.0 2,-0.5 -0.256 27.1-166.0 -69.0 148.9 1.1 20.9 16.1 31 32 A I E -cd 57 102A 0 25,-2.3 27,-2.3 70,-0.2 2,-0.6 -0.967 25.0-160.2-130.0 109.2 3.6 21.2 13.2 32 33 A L E -cd 58 103A 1 70,-3.0 72,-3.1 -2,-0.5 2,-0.5 -0.875 8.3-164.7-105.4 115.1 4.4 24.9 13.3 33 34 A F E -cd 59 104A 1 25,-3.1 27,-0.6 -2,-0.6 2,-0.5 -0.856 7.2-168.4-102.2 123.6 5.9 26.5 10.2 34 35 A Q E -cd 60 105A 1 70,-2.8 72,-1.5 -2,-0.5 75,-0.1 -0.928 3.7-158.2-125.7 118.1 7.4 29.9 10.6 35 36 A H - 0 0 0 -2,-0.5 6,-0.1 25,-0.5 2,-0.1 -0.248 6.9-159.4 -78.0 168.1 8.5 32.2 7.7 36 37 A G > + 0 0 0 72,-0.2 3,-1.1 4,-0.2 -1,-0.1 -0.134 43.4 9.3-123.5-140.6 11.0 35.1 7.9 37 38 A N T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 71,-0.1 -0.717 121.8 -9.6 -97.2 138.1 11.8 38.2 5.8 38 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.560 117.7 82.6-106.6 45.0 10.1 39.4 3.5 39 40 A T < - 0 0 2 -3,-1.1 27,-0.3 26,-0.1 2,-0.3 -0.014 53.2-156.4 -98.0-161.0 7.8 36.5 3.3 40 41 A S > - 0 0 6 25,-0.1 3,-2.2 -3,-0.1 4,-0.3 -0.874 54.2 -60.6-158.3-171.9 4.7 35.2 5.1 41 42 A S G > S+ 0 0 0 1,-0.3 3,-1.8 -2,-0.3 4,-0.2 0.743 120.4 79.5 -52.5 -25.6 2.9 31.8 5.7 42 43 A Y G > S+ 0 0 17 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.783 75.5 74.4 -54.6 -28.4 2.5 31.6 1.9 43 44 A L G < S+ 0 0 2 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.827 98.0 45.7 -55.7 -32.6 6.2 30.4 1.8 44 45 A W G X> S+ 0 0 0 -3,-1.8 4,-2.4 -4,-0.3 3,-1.7 0.363 76.5 113.1 -94.7 4.9 5.0 27.0 3.1 45 46 A R T <4 S+ 0 0 2 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.750 83.8 36.7 -52.8 -32.5 2.0 26.4 0.9 46 47 A N T 34 S+ 0 0 19 -3,-0.3 -1,-0.3 -4,-0.2 4,-0.1 0.441 117.0 53.0-100.6 -1.2 3.5 23.5 -1.1 47 48 A I T X4 S+ 0 0 1 -3,-1.7 3,-1.2 2,-0.1 4,-0.3 0.803 97.4 61.7 -99.5 -40.4 5.3 22.0 1.8 48 49 A M G >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 4,-0.1 0.870 90.9 67.2 -58.2 -38.4 2.5 21.7 4.4 49 50 A P G > S+ 0 0 58 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.830 90.2 66.6 -53.6 -30.4 0.3 19.3 2.2 50 51 A H G < S+ 0 0 51 -3,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.746 98.5 52.3 -61.6 -24.5 3.0 16.7 2.7 51 52 A C G X> S+ 0 0 0 -3,-2.3 3,-2.4 -4,-0.3 4,-0.5 0.198 76.2 145.1 -96.5 11.9 2.1 16.5 6.4 52 53 A A T <4 S+ 0 0 68 -3,-1.8 4,-0.1 1,-0.3 -26,-0.0 -0.278 74.5 11.5 -52.1 128.8 -1.6 16.0 5.8 53 54 A G T 34 S+ 0 0 85 2,-0.4 -1,-0.3 -26,-0.1 3,-0.1 0.382 105.9 93.4 84.1 -5.4 -2.9 13.7 8.6 54 55 A L T <4 S- 0 0 39 -3,-2.4 2,-0.3 1,-0.2 -25,-0.2 0.627 97.0 -48.8 -94.3 -16.1 0.2 14.0 10.7 55 56 A G S < S- 0 0 2 -4,-0.5 2,-0.8 -27,-0.1 -2,-0.4 -0.991 78.3 -43.0 171.3-173.8 -0.9 16.9 12.9 56 57 A R E - c 0 30A 44 -27,-1.6 -25,-2.3 -2,-0.3 2,-0.7 -0.767 58.0-146.2 -80.6 112.1 -2.4 20.3 13.3 57 58 A L E +Bc 25 31A 6 -32,-3.2 -32,-2.9 -2,-0.8 2,-0.4 -0.762 24.9 175.2 -89.8 115.4 -0.7 22.3 10.5 58 59 A I E +Bc 24 32A 0 -27,-2.3 -25,-3.1 -2,-0.7 2,-0.4 -0.958 18.1 175.6-127.1 136.9 -0.1 25.9 11.4 59 60 A A E -Bc 23 33A 0 -36,-2.1 -36,-2.7 -2,-0.4 2,-0.3 -0.903 16.6-160.1-141.5 108.9 1.7 28.8 9.7 60 61 A C E -Bc 22 34A 0 -27,-0.6 2,-0.5 -2,-0.4 -25,-0.5 -0.645 14.4-132.9 -90.9 146.5 1.6 32.3 11.4 61 62 A D - 0 0 0 -40,-3.1 -40,-0.3 -2,-0.3 3,-0.1 -0.841 30.9-120.5 -94.7 124.8 2.2 35.7 9.7 62 63 A L > - 0 0 1 -2,-0.5 3,-2.3 1,-0.1 6,-0.4 -0.205 45.2 -75.1 -61.6 156.7 4.6 37.9 11.7 63 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.1 21,-0.2 -1,-0.1 -0.179 121.4 13.6 -54.3 136.3 3.3 41.3 12.9 64 65 A G T 3 S+ 0 0 0 5,-1.9 -1,-0.3 1,-0.2 2,-0.3 0.521 116.6 91.4 75.8 2.6 3.2 43.8 10.1 65 66 A M S X S- 0 0 0 -3,-2.3 3,-2.6 4,-0.2 -1,-0.2 -0.819 84.8 -4.4-126.6 165.4 3.7 41.0 7.6 66 67 A G T 3 S- 0 0 6 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.255 130.3 -30.2 51.5-131.6 1.4 38.8 5.5 67 68 A D T 3 S+ 0 0 70 -46,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.241 108.6 115.8-102.4 16.5 -2.2 39.6 6.7 68 69 A S S < S- 0 0 5 -3,-2.6 -48,-0.2 -6,-0.4 -6,-0.1 -0.600 76.7 -91.7 -81.6 146.7 -1.2 40.6 10.2 69 70 A D - 0 0 57 -50,-2.6 -5,-1.9 -2,-0.2 2,-0.2 -0.114 34.9-116.0 -57.8 153.1 -1.8 44.2 11.1 70 71 A K - 0 0 64 -6,-0.2 2,-0.3 -7,-0.1 -1,-0.1 -0.603 28.6-120.2 -84.6 150.1 0.7 47.0 10.7 71 72 A L - 0 0 8 -2,-0.2 7,-0.0 -8,-0.1 -1,-0.0 -0.696 28.5-135.6 -90.5 148.3 2.0 48.8 13.8 72 73 A D S S+ 0 0 121 -2,-0.3 2,-0.2 1,-0.1 3,-0.0 -0.915 87.4 46.6-154.1 123.9 1.4 52.6 14.1 73 74 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.332 84.9 174.7 -62.4 149.0 3.4 54.7 15.0 74 75 A S + 0 0 28 -2,-0.2 124,-0.1 4,-0.1 125,-0.1 -0.954 13.9 119.3-129.3 149.4 6.1 53.1 12.8 75 76 A G S > S- 0 0 12 -2,-0.3 3,-2.3 123,-0.1 0, 0.0 -0.956 76.9 -43.0 178.6-169.1 9.6 54.3 12.2 76 77 A P T 3 S+ 0 0 90 0, 0.0 -2,-0.0 0, 0.0 83,-0.0 0.696 131.7 52.3 -51.7 -25.6 13.3 53.3 12.6 77 78 A E T 3 S+ 0 0 163 3,-0.0 3,-0.4 2,-0.0 2,-0.2 0.478 93.3 94.5 -93.0 -1.1 12.6 52.0 16.1 78 79 A R S < S+ 0 0 68 -3,-2.3 -4,-0.1 1,-0.2 127,-0.0 -0.574 77.1 21.4 -96.7 153.6 9.7 49.7 15.1 79 80 A Y S S+ 0 0 1 -2,-0.2 -1,-0.2 1,-0.2 2,-0.0 0.779 75.8 157.4 67.7 32.3 9.7 46.0 14.2 80 81 A A > - 0 0 28 -3,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.306 59.2 -94.6 -77.0 169.9 12.9 45.1 15.9 81 82 A Y H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 123.4 53.1 -52.2 -50.2 13.5 41.5 16.9 82 83 A A H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 108.1 50.6 -58.7 -35.9 12.2 41.9 20.5 83 84 A E H > S+ 0 0 42 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.900 110.1 49.6 -70.4 -39.2 9.0 43.5 19.3 84 85 A H H X S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.932 110.9 50.5 -61.8 -43.5 8.3 40.6 16.9 85 86 A R H X S+ 0 0 64 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.870 106.1 55.8 -63.8 -37.0 9.0 38.1 19.6 86 87 A D H X S+ 0 0 79 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.939 113.3 40.1 -62.8 -44.4 6.6 39.8 21.9 87 88 A Y H X S+ 0 0 26 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.941 118.3 46.8 -70.4 -45.9 3.8 39.5 19.4 88 89 A L H X S+ 0 0 3 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.886 108.4 53.8 -65.0 -40.3 4.7 35.9 18.3 89 90 A D H X S+ 0 0 42 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.940 111.7 47.1 -58.3 -46.4 5.2 34.5 21.8 90 91 A A H X S+ 0 0 30 -4,-1.4 4,-2.7 -5,-0.3 -2,-0.2 0.921 112.4 48.7 -62.7 -45.4 1.6 35.8 22.6 91 92 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.927 111.5 49.8 -60.7 -44.6 0.1 34.4 19.4 92 93 A W H <>S+ 0 0 2 -4,-3.0 5,-0.6 1,-0.2 4,-0.3 0.875 112.0 47.8 -65.4 -33.4 1.8 31.0 20.0 93 94 A E H ><5S+ 0 0 124 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 0.945 109.5 54.3 -67.2 -45.9 0.4 30.9 23.6 94 95 A A H 3<5S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.786 99.2 63.7 -57.2 -31.3 -3.0 31.9 22.2 95 96 A L T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.519 100.2-132.5 -74.1 -7.9 -3.0 28.9 19.8 96 97 A D T < 5 + 0 0 138 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.966 36.4 173.7 53.3 64.5 -2.9 26.3 22.7 97 98 A L > < - 0 0 6 -5,-0.6 3,-0.5 1,-0.2 -1,-0.1 0.664 19.9-153.0 -78.8 -20.0 -0.1 24.2 21.2 98 99 A G T 3 - 0 0 36 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.357 39.7 -61.6 76.7-160.9 0.4 21.8 24.0 99 100 A D T 3 S+ 0 0 94 1,-0.2 -1,-0.2 25,-0.1 2,-0.1 0.187 114.2 70.0-116.1 16.2 3.8 20.1 24.6 100 101 A R < + 0 0 83 -3,-0.5 2,-0.4 24,-0.1 24,-0.2 -0.499 64.0 160.0-127.1 62.5 4.7 18.0 21.5 101 102 A V E - e 0 124A 0 22,-2.7 24,-1.8 -3,-0.2 25,-1.2 -0.690 29.1-155.7 -88.9 131.2 5.3 20.8 19.0 102 103 A V E -de 31 126A 0 -72,-2.2 -70,-3.0 -2,-0.4 2,-0.4 -0.944 16.0-152.2-104.2 119.9 7.3 20.2 15.8 103 104 A L E -de 32 127A 2 23,-2.2 25,-3.5 -2,-0.6 2,-0.5 -0.791 12.9-171.6 -92.1 137.1 8.9 23.5 14.6 104 105 A V E +de 33 128A 0 -72,-3.1 -70,-2.8 -2,-0.4 2,-0.3 -0.982 24.6 176.9-126.5 113.4 9.6 24.0 10.9 105 106 A V E -de 34 129A 0 23,-2.6 25,-1.2 -2,-0.5 2,-0.3 -0.877 23.1-178.6-131.7 158.4 11.6 27.2 10.5 106 107 A H E >> - e 0 130A 0 -72,-1.5 3,-2.0 -2,-0.3 4,-0.7 -0.992 57.3 -32.7-148.3 143.0 13.4 29.5 8.0 107 108 A D H >> S- e 0 132A 14 24,-2.1 4,-1.6 23,-0.7 3,-1.4 -0.066 131.8 -1.4 50.2-132.8 15.4 32.8 8.2 108 109 A W H 3> S+ 0 0 5 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.764 131.9 65.4 -61.4 -22.0 14.1 35.1 10.9 109 110 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.834 101.4 49.8 -68.5 -29.0 11.5 32.4 11.6 110 111 A S H < S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.925 105.5 55.0 -64.7 -42.3 12.5 26.4 21.8 118 119 A R H >< S+ 0 0 67 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.925 114.7 42.6 -54.7 -39.4 15.4 27.3 24.1 119 120 A R H 3< S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.566 125.8 31.2 -84.8 -11.0 12.8 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-69.8 -43.2 15.1 54.9 0.3 161 162 A L H <5S+ 0 0 43 -4,-2.2 6,-2.6 3,-0.2 -2,-0.2 0.909 129.1 17.5 -60.4 -43.2 16.0 51.4 -0.8 162 163 A V H X5S+ 0 0 0 -4,-2.7 4,-1.2 4,-0.3 -3,-0.2 0.902 127.8 42.5 -98.6 -53.8 13.2 49.7 1.1 163 164 A L H <> + 0 0 11 -6,-2.6 4,-2.1 1,-0.2 5,-1.9 0.734 62.8 58.5 -62.7 -25.7 14.1 46.4 -2.9 168 169 A F H 4>S+ 0 0 8 3,-0.2 5,-2.2 2,-0.2 -1,-0.2 0.968 115.9 35.6 -69.0 -46.7 13.9 43.5 -0.4 169 170 A V H 45S+ 0 0 0 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.1 0.940 126.6 38.3 -67.2 -50.4 10.6 42.4 -1.9 170 171 A E H <5S+ 0 0 71 -4,-2.6 -3,-0.2 3,-0.1 -2,-0.2 0.749 133.2 14.2 -78.3 -26.2 11.4 43.3 -5.5 171 172 A Q T X5S+ 0 0 122 -4,-2.1 4,-1.9 -5,-0.3 -3,-0.2 0.794 123.1 45.1-116.7 -53.9 15.1 42.3 -5.8 172 173 A V H >44 S+ 0 0 46 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.861 113.4 63.1 -60.6 -34.5 13.3 36.8 -6.5 175 176 A G H 3< S+ 0 0 52 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.696 104.2 47.0 -63.3 -18.5 17.1 37.0 -6.6 176 177 A L T << S+ 0 0 13 -3,-1.4 96,-1.7 -4,-0.9 95,-1.2 0.037 95.0 81.8-114.4 25.4 17.4 34.2 -4.1 177 178 A I < - 0 0 10 -3,-1.5 4,-0.1 94,-0.1 96,-0.1 -0.997 70.0-146.5-125.4 131.3 14.9 31.7 -5.7 178 179 A L S S+ 0 0 99 -2,-0.4 -1,-0.1 94,-0.1 91,-0.1 0.896 79.2 58.1 -69.1 -41.4 16.4 29.7 -8.6 179 180 A R S S- 0 0 56 1,-0.1 2,-0.2 96,-0.0 -2,-0.1 -0.560 95.0-101.9 -90.7 155.8 13.3 29.5 -10.7 180 181 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.542 38.6-129.1 -71.1 140.0 11.3 32.4 -12.0 181 182 A L - 0 0 36 -2,-0.2 2,-0.0 -4,-0.1 -4,-0.0 -0.635 17.3-118.6 -89.1 148.2 8.2 33.1 -10.0 182 183 A S > - 0 0 54 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.281 30.5-105.5 -75.0 171.0 4.8 33.6 -11.7 183 184 A E H > S+ 0 0 132 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.894 121.6 53.8 -64.1 -38.8 2.9 36.8 -11.3 184 185 A A H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 110.4 45.8 -63.6 -43.8 0.5 35.2 -8.8 185 186 A E H > S+ 0 0 8 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.940 116.0 45.2 -65.2 -45.8 3.4 34.0 -6.6 186 187 A M H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.882 110.9 54.1 -66.4 -35.1 5.1 37.4 -6.8 187 188 A A H X S+ 0 0 39 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.915 104.6 55.2 -65.3 -36.2 1.8 39.2 -6.2 188 189 A A H < S+ 0 0 29 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.6 42.1 -64.3 -32.4 1.3 37.1 -3.0 189 190 A Y H < S+ 0 0 3 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.849 116.2 48.1 -83.2 -33.0 4.7 38.3 -1.7 190 191 A R H >< S+ 0 0 69 -4,-2.5 3,-1.8 -5,-0.2 4,-0.2 0.794 90.1 86.9 -73.8 -29.7 4.2 41.9 -2.7 191 192 A E G >< S+ 0 0 94 -4,-2.3 3,-1.3 1,-0.3 4,-0.2 0.842 87.9 44.3 -43.4 -54.5 0.7 42.2 -1.3 192 193 A P G 3 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.705 121.2 42.9 -66.0 -17.5 1.6 43.2 2.3 193 194 A F G < S+ 0 0 1 -3,-1.8 -2,-0.2 -4,-0.3 7,-0.1 0.099 73.6 113.6-118.5 21.2 4.1 45.7 1.1 194 195 A L < + 0 0 111 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.1 0.868 61.9 81.0 -58.4 -37.9 2.4 47.3 -1.9 195 196 A A S S- 0 0 57 -4,-0.2 5,-0.2 -3,-0.2 4,-0.1 -0.583 81.9-124.9 -81.4 128.0 2.2 50.8 -0.1 196 197 A A S S+ 0 0 74 -2,-0.4 3,-0.4 3,-0.1 2,-0.3 -0.253 75.1 24.4 -61.8 152.0 5.2 53.0 -0.1 197 198 A G S > S- 0 0 25 -34,-2.5 3,-2.2 1,-0.2 4,-0.2 -0.640 120.9 -1.1 98.8-152.4 6.5 54.2 3.3 198 199 A E G > S+ 0 0 66 1,-0.3 3,-1.6 -2,-0.3 -1,-0.2 0.674 113.3 76.8 -55.2 -23.0 6.1 52.6 6.7 199 200 A A G 3 S+ 0 0 24 -3,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.821 99.8 46.8 -57.7 -27.5 4.0 49.7 5.5 200 201 A R G X> S+ 0 0 26 -3,-2.2 3,-1.4 -5,-0.2 4,-0.6 0.469 80.6 105.6 -91.6 -3.5 7.4 48.3 4.2 201 202 A R H X> S+ 0 0 6 -3,-1.6 4,-3.1 1,-0.3 3,-1.4 0.821 70.2 62.5 -49.3 -38.3 9.2 49.0 7.5 202 203 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.889 100.8 52.8 -58.2 -37.1 9.3 45.3 8.6 203 204 A T H <4 S+ 0 0 0 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.640 116.1 40.7 -73.9 -10.3 11.4 44.4 5.5 204 205 A L H X S+ 0 0 0 -4,-2.0 3,-1.9 -5,-0.3 4,-0.7 0.944 102.4 45.7 -60.1 -50.6 14.7 42.9 9.7 207 208 A P G >4 S+ 0 0 1 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.852 107.3 61.0 -63.7 -25.1 18.1 43.2 7.9 208 209 A R G 3< S+ 0 0 41 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.617 103.0 53.8 -72.2 -8.7 19.1 45.8 10.5 209 210 A Q G <4 S+ 0 0 22 -3,-1.9 -1,-0.2 -4,-0.4 -3,-0.1 0.604 74.1 119.7 -98.8 -14.6 18.6 43.0 13.1 210 211 A I S << S- 0 0 13 -3,-0.7 2,-1.4 -4,-0.7 5,-0.1 -0.298 72.7-119.1 -56.7 129.4 20.9 40.3 11.6 211 212 A P + 0 0 0 0, 0.0 -74,-2.8 0, 0.0 2,-0.4 -0.572 54.7 154.5 -76.7 93.1 23.6 39.5 14.2 212 213 A I B > -hI 137 215B 1 3,-2.0 3,-1.7 -2,-1.4 -74,-0.3 -0.981 63.7 -10.8-127.5 127.9 26.7 40.5 12.2 213 214 A A T 3 S- 0 0 46 -76,-2.5 -75,-0.1 -2,-0.4 -1,-0.1 0.842 127.1 -57.9 56.8 33.9 30.1 41.6 13.5 214 215 A G T 3 S+ 0 0 39 -77,-0.5 -1,-0.3 1,-0.2 6,-0.1 0.476 99.6 148.9 77.8 5.1 28.6 41.9 16.9 215 216 A T B < +I 212 0B 87 -3,-1.7 -3,-2.0 1,-0.2 -1,-0.2 -0.980 57.0 28.9-128.9 136.1 25.8 44.5 16.0 216 217 A P S > S- 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.477 82.3-157.5 -75.7 134.6 23.1 44.9 17.0 217 218 A A H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.781 84.8 59.0 -54.2 -32.8 24.4 43.6 20.3 218 219 A D H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.965 109.6 40.8 -66.2 -46.8 21.1 42.6 21.7 219 220 A V H > 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