==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIOESTERASE 19-APR-94 1THT . COMPND 2 MOLECULE: THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO HARVEYI; . AUTHOR D.M.LAWSON,U.DEREWENDA,L.SERRE,S.FERRI,R.SZITTER,Y.WEI, . 587 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 0 0 5 4 3 0 0 0 0 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 2 0 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 . 2 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 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 Q 0 0 99 0, 0.0 2,-0.1 0, 0.0 275,-0.1 0.000 360.0 360.0 360.0 153.9 8.2 63.2 37.4 2 5 A C - 0 0 48 1,-0.2 2,-3.4 273,-0.1 0, 0.0 -0.490 360.0 -91.4 -58.1 131.9 6.2 62.7 34.1 3 6 A K S S+ 0 0 71 -2,-0.1 2,-0.4 19,-0.0 -1,-0.2 -0.096 74.2 146.9 -61.6 62.1 3.7 60.2 35.6 4 7 A T - 0 0 17 -2,-3.4 2,-0.4 18,-0.2 18,-0.2 -0.716 38.6-143.2 -92.0 137.7 5.4 56.9 34.8 5 8 A I E -A 21 0A 57 16,-2.1 16,-2.4 -2,-0.4 2,-0.4 -0.863 2.7-140.6-109.4 140.8 4.5 54.4 37.6 6 9 A A E -A 20 0A 1 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.817 22.7-173.5 -96.3 134.5 6.9 51.8 39.0 7 10 A H E -A 19 0A 21 12,-2.1 12,-2.4 -2,-0.4 2,-0.5 -0.997 15.2-155.6-129.0 140.8 5.2 48.4 39.8 8 11 A V E -Ab 18 292A 4 283,-0.6 285,-2.5 -2,-0.4 2,-0.5 -0.980 12.2-162.8-112.2 119.2 6.7 45.5 41.5 9 12 A L E -Ab 17 293A 0 8,-2.8 8,-2.4 -2,-0.5 2,-0.6 -0.939 2.3-158.9-106.4 132.1 5.0 42.2 40.5 10 13 A R E -Ab 16 294A 18 283,-3.1 285,-2.3 -2,-0.5 2,-0.3 -0.955 5.5-154.1-115.7 103.0 5.6 39.4 42.8 11 14 A V E >> -A 15 0A 8 4,-1.9 3,-1.6 -2,-0.6 4,-1.5 -0.614 35.0-101.9 -77.8 136.1 5.0 36.0 41.2 12 15 A N T 34 S+ 0 0 138 -2,-0.3 -1,-0.1 1,-0.2 282,-0.0 0.364 111.1 64.7 -41.3 -0.5 4.1 33.3 43.8 13 16 A N T 34 S- 0 0 76 -2,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.384 124.4 -84.3-107.3 5.5 7.7 31.5 43.9 14 17 A G T <4 S+ 0 0 47 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.726 88.8 134.0 98.0 25.7 9.7 34.3 45.4 15 18 A Q E < -A 11 0A 36 -4,-1.5 -4,-1.9 55,-0.1 -1,-0.3 -0.895 36.8-160.8-112.3 149.3 10.3 36.1 42.1 16 19 A E E -AC 10 69A 51 53,-2.6 53,-1.3 -2,-0.4 2,-0.3 -0.897 7.2-175.0-124.8 151.3 10.0 39.7 41.3 17 20 A L E -A 9 0A 0 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.4 -0.995 18.9-135.2-146.6 144.0 9.6 41.7 38.1 18 21 A H E -A 8 0A 36 -2,-0.3 48,-1.9 49,-0.2 2,-0.4 -0.850 15.6-166.6-105.6 142.6 9.5 45.4 37.6 19 22 A V E -AD 7 65A 0 -12,-2.4 -12,-2.1 -2,-0.4 2,-0.6 -0.993 7.1-157.2-132.1 135.0 7.0 47.2 35.3 20 23 A W E -AD 6 64A 23 44,-2.8 44,-2.7 -2,-0.4 2,-0.5 -0.959 13.2-161.9-116.0 110.9 7.3 50.8 34.2 21 24 A E E -AD 5 63A 26 -16,-2.4 -16,-2.1 -2,-0.6 42,-0.2 -0.863 8.3-173.3 -98.3 125.8 3.9 52.3 33.2 22 25 A T E - D 0 62A 10 40,-2.8 40,-2.9 -2,-0.5 -18,-0.2 -0.957 17.0-143.1-121.2 117.1 3.6 55.5 31.0 23 26 A P - 0 0 39 0, 0.0 37,-0.1 0, 0.0 36,-0.1 -0.306 29.3 -93.5 -68.5 158.6 0.1 57.0 30.5 24 27 A P - 0 0 61 0, 0.0 33,-0.2 0, 0.0 32,-0.1 -0.366 51.2 -92.4 -65.3 155.5 -1.0 58.6 27.1 25 28 A K > - 0 0 71 31,-2.1 3,-1.1 1,-0.1 36,-0.0 -0.467 41.0-103.9 -72.8 151.4 -0.6 62.4 26.8 26 29 A E T 3 S+ 0 0 185 1,-0.2 -1,-0.1 -2,-0.1 31,-0.0 0.712 104.9 20.6 -43.6 -46.6 -3.5 64.6 27.7 27 30 A N T 3 S+ 0 0 158 2,-0.0 -1,-0.2 3,-0.0 3,-0.0 -0.221 86.4 112.0-134.6 52.4 -4.9 65.7 24.4 28 31 A V S < S- 0 0 33 -3,-1.1 3,-0.1 28,-0.1 30,-0.1 -0.784 76.7 -82.5-106.5 159.1 -3.8 63.4 21.6 29 32 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.271 57.0 -83.1 -63.3 153.0 -6.4 61.1 19.9 30 33 A F - 0 0 163 1,-0.1 2,-0.5 -6,-0.0 30,-0.1 -0.242 35.6-157.4 -57.6 139.0 -7.5 57.8 21.4 31 34 A K - 0 0 39 28,-0.5 30,-0.2 1,-0.1 -1,-0.1 -0.983 5.0-156.2-121.6 125.0 -5.5 54.7 20.9 32 35 A N S S+ 0 0 86 -2,-0.5 2,-0.3 223,-0.2 65,-0.3 0.903 70.1 68.7 -71.1 -33.8 -7.3 51.4 21.3 33 36 A N - 0 0 10 63,-0.1 28,-0.4 65,-0.1 2,-0.3 -0.670 69.3-141.5 -98.1 133.1 -4.3 49.1 22.2 34 37 A T E -e 98 0A 22 63,-2.6 65,-2.5 -2,-0.3 2,-0.4 -0.654 29.6-132.0 -75.0 145.1 -2.3 49.2 25.4 35 38 A I E -ef 99 62A 0 26,-2.6 28,-2.4 -2,-0.3 2,-0.4 -0.858 16.7-163.3-108.7 136.9 1.4 48.5 24.4 36 39 A L E -ef 100 63A 0 63,-2.0 65,-2.1 -2,-0.4 2,-0.5 -0.937 9.0-167.7-110.0 137.4 3.7 46.0 26.2 37 40 A I E -ef 101 64A 2 26,-1.9 28,-2.1 -2,-0.4 2,-0.9 -0.988 20.0-137.5-132.2 121.4 7.5 46.4 25.6 38 41 A A E + f 0 65A 7 63,-1.7 65,-0.4 -2,-0.5 28,-0.1 -0.700 33.5 166.5 -74.4 104.2 10.0 43.8 26.6 39 42 A S > + 0 0 0 26,-2.5 3,-1.0 -2,-0.9 27,-0.2 0.160 36.0 109.9-114.7 22.5 12.7 46.0 28.0 40 43 A G T 3 S+ 0 0 7 25,-0.3 3,-0.2 26,-0.3 27,-0.2 0.956 83.5 35.1 -62.8 -56.7 14.8 43.3 29.8 41 44 A F T 3 S+ 0 0 33 1,-0.2 3,-0.3 62,-0.2 -1,-0.2 0.065 92.0 102.7 -89.3 33.2 18.0 43.2 27.7 42 45 A A X > + 0 0 4 -3,-1.0 5,-3.2 1,-0.2 3,-1.4 -0.059 28.4 124.1-113.5 38.5 17.9 46.9 27.0 43 46 A R G > 5S+ 0 0 41 116,-0.4 3,-2.0 1,-0.3 -1,-0.2 0.971 80.8 49.4 -56.9 -50.8 20.5 48.4 29.3 44 47 A R G 3 5S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.464 111.5 51.0 -69.3 -0.3 22.3 50.0 26.3 45 48 A M G X 5S- 0 0 31 -3,-1.4 3,-1.8 -6,-0.1 4,-0.3 0.030 117.0-110.8-120.7 16.6 19.0 51.4 25.2 46 49 A D G X 5S- 0 0 40 -3,-2.0 3,-2.1 1,-0.3 -3,-0.2 0.873 70.0 -66.5 49.3 38.8 18.1 52.9 28.5 47 50 A H G 3 S+ 0 0 17 -3,-1.8 4,-1.9 -6,-0.4 3,-0.8 0.677 87.3 149.9 59.2 29.0 13.5 51.8 25.9 49 52 A A H <> S+ 0 0 4 -3,-2.1 4,-1.5 -4,-0.3 -2,-0.1 0.889 73.7 49.8 -52.4 -38.2 12.6 55.0 28.0 50 53 A G H 3> S+ 0 0 6 -5,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.754 106.4 53.9 -78.7 -22.4 12.6 57.1 24.8 51 54 A L H <> S+ 0 0 0 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.865 105.6 53.4 -77.4 -34.2 10.4 54.7 22.9 52 55 A A H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.913 110.0 51.0 -65.7 -38.8 7.8 54.9 25.7 53 56 A E H X S+ 0 0 14 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.925 107.9 49.7 -58.9 -49.2 8.0 58.7 25.2 54 57 A Y H < S+ 0 0 5 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.828 115.0 46.0 -59.1 -35.2 7.5 58.5 21.5 55 58 A L H <>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 3,-0.4 0.940 113.0 45.2 -80.6 -44.8 4.5 56.2 22.0 56 59 A S H ><5S+ 0 0 0 -4,-2.8 -31,-2.1 1,-0.3 3,-1.9 0.864 107.9 58.1 -68.6 -33.9 2.7 58.2 24.8 57 60 A T T 3<5S+ 0 0 11 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.813 109.5 48.9 -61.7 -25.2 3.2 61.5 23.0 58 61 A N T 3 5S- 0 0 10 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.302 131.7 -89.9 -99.1 17.1 1.3 59.6 20.2 59 62 A G T < 5S+ 0 0 6 -3,-1.9 -28,-0.5 1,-0.3 2,-0.4 0.467 80.2 130.7 102.1 -1.2 -1.6 58.4 22.4 60 63 A F < - 0 0 0 -5,-2.0 2,-0.7 -37,-0.1 -1,-0.3 -0.706 52.0-139.2 -96.8 138.8 -0.5 55.0 23.8 61 64 A H - 0 0 52 -28,-0.4 -26,-2.6 -2,-0.4 2,-0.4 -0.827 35.1-159.3 -86.1 118.1 -0.6 53.8 27.3 62 65 A V E -Df 22 35A 0 -40,-2.9 -40,-2.8 -2,-0.7 2,-0.4 -0.812 22.5-172.6-107.4 138.0 2.7 51.9 27.6 63 66 A F E -Df 21 36A 12 -28,-2.4 -26,-1.9 -2,-0.4 2,-0.4 -0.993 8.1-171.2-121.0 126.3 3.9 49.2 30.0 64 67 A R E -Df 20 37A 4 -44,-2.7 -44,-2.8 -2,-0.4 2,-0.3 -0.924 11.3-173.1-107.7 142.5 7.6 48.2 29.8 65 68 A Y E -Df 19 38A 12 -28,-2.1 -26,-2.5 -2,-0.4 -25,-0.3 -0.955 13.0-156.7-135.7 155.9 8.8 45.2 31.8 66 69 A D - 0 0 30 -48,-1.9 2,-0.3 -2,-0.3 -26,-0.3 0.161 40.9 -61.1-105.5-134.0 12.0 43.4 32.7 67 70 A S - 0 0 26 -27,-0.2 -49,-0.2 -28,-0.1 -1,-0.1 -0.867 45.8-102.2-119.7 151.4 12.8 39.7 33.8 68 71 A L + 0 0 12 10,-0.5 2,-0.3 -2,-0.3 -51,-0.2 -0.380 48.1 170.2 -60.6 141.3 11.7 37.6 36.8 69 72 A H B -C 16 0A 68 -53,-1.3 -53,-2.6 2,-0.1 2,-0.3 -0.963 39.6-105.1-151.9 165.5 14.6 37.4 39.4 70 73 A H 0 0 119 -2,-0.3 -55,-0.1 -55,-0.2 -2,-0.0 -0.021 360.0 360.0-103.9 39.6 14.7 36.0 43.0 71 74 A V 0 0 138 -2,-0.3 -55,-0.2 -55,-0.1 -2,-0.1 -0.956 360.0 360.0-157.0 360.0 14.8 39.0 45.4 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 83 A E 0 0 101 0, 0.0 89,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 169.0 20.6 33.8 35.9 74 84 A F - 0 0 36 87,-0.3 2,-0.3 4,-0.1 89,-0.3 -0.111 360.0-179.9 -58.4 143.8 18.4 34.1 32.9 75 85 A T > - 0 0 13 87,-0.1 4,-1.3 95,-0.1 3,-0.5 -0.897 44.5-108.8-130.3 164.1 17.2 31.3 30.7 76 86 A M H > S+ 0 0 0 -2,-0.3 4,-1.9 91,-0.3 5,-0.1 0.850 120.1 60.8 -66.1 -25.5 14.9 31.9 27.6 77 87 A T H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 98.6 54.1 -70.9 -34.1 12.2 30.3 29.6 78 88 A T H > S+ 0 0 29 -3,-0.5 4,-1.9 2,-0.2 -10,-0.5 0.879 107.4 52.5 -63.5 -34.6 12.4 32.9 32.4 79 89 A G H X S+ 0 0 9 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.915 110.0 48.4 -63.1 -45.3 11.9 35.6 29.7 80 90 A K H X S+ 0 0 57 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.880 111.3 49.6 -62.2 -41.0 8.8 33.7 28.5 81 91 A N H X S+ 0 0 68 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 107.8 53.6 -70.8 -31.3 7.4 33.5 32.0 82 92 A S H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.963 110.8 46.8 -65.7 -50.1 8.0 37.2 32.6 83 93 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 113.5 47.5 -58.3 -46.8 5.9 38.1 29.5 84 94 A C H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.885 112.4 51.9 -62.7 -35.8 3.2 35.6 30.5 85 95 A T H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.990 113.1 41.3 -65.8 -54.4 3.2 37.1 34.0 86 96 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.903 114.7 54.8 -59.0 -40.0 2.8 40.8 32.9 87 97 A Y H X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.898 108.9 44.8 -62.4 -45.1 0.3 39.7 30.3 88 98 A H H X S+ 0 0 106 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.878 111.2 55.1 -72.1 -29.6 -2.0 38.0 32.8 89 99 A W H X S+ 0 0 26 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.887 107.1 49.7 -65.9 -39.2 -1.7 40.9 35.2 90 100 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 3,-0.5 0.955 108.9 54.1 -65.7 -36.7 -2.9 43.3 32.5 91 101 A Q H ><5S+ 0 0 68 -4,-1.9 3,-0.7 1,-0.3 -2,-0.2 0.885 110.1 45.2 -64.2 -35.7 -5.8 41.0 31.8 92 102 A T H 3<5S+ 0 0 116 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.648 103.7 60.8 -83.8 -15.6 -6.9 41.1 35.4 93 103 A K T <<5S- 0 0 74 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.433 129.7-102.1 -83.7 1.3 -6.5 44.8 35.7 94 104 A G T < 5S+ 0 0 50 -3,-0.7 2,-0.2 1,-0.3 -3,-0.2 0.258 71.8 150.5 103.8 -11.5 -9.1 44.7 33.0 95 105 A T < + 0 0 30 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.309 12.2 168.5 -64.9 122.0 -6.9 45.3 29.9 96 106 A Q + 0 0 151 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.816 56.0 55.0-104.8 -31.6 -8.2 43.7 26.8 97 107 A N + 0 0 65 -65,-0.3 -63,-2.6 22,-0.1 2,-0.4 -0.922 65.7 171.0-112.3 113.1 -6.5 44.9 23.7 98 108 A I E -e 34 0A 0 -2,-0.6 22,-3.4 20,-0.3 23,-0.8 -0.968 18.0-169.3-127.4 133.1 -2.7 44.5 23.9 99 109 A G E -eg 35 121A 0 -65,-2.5 -63,-2.0 -2,-0.4 2,-0.4 -0.850 16.2-148.7-110.1 159.7 0.0 45.0 21.3 100 110 A L E -eg 36 122A 1 21,-1.7 23,-2.6 -2,-0.3 2,-0.4 -0.975 9.6-166.5-131.4 139.8 3.6 43.8 22.0 101 111 A I E +eg 37 123A 5 -65,-2.1 -63,-1.7 -2,-0.4 2,-0.3 -0.993 18.6 167.5-122.2 136.6 7.0 45.2 20.7 102 112 A A E - g 0 124A 4 21,-2.1 23,-1.7 -2,-0.4 2,-0.3 -1.000 14.5-159.1-149.2 143.8 10.1 43.2 21.2 103 113 A A E > - g 0 125A 13 -65,-0.4 3,-1.7 -2,-0.3 4,-0.3 -0.908 51.0 -24.9-128.9 157.4 13.7 43.3 19.9 104 114 A S T >> S+ 0 0 28 21,-2.1 24,-1.7 -2,-0.3 3,-0.8 -0.178 129.3 2.7 51.7-120.2 16.6 41.0 19.5 105 115 A L H >> S+ 0 0 4 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.814 131.1 59.8 -64.6 -30.4 16.6 38.0 22.0 106 116 A S H <> S+ 0 0 23 -3,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.785 94.5 63.4 -70.8 -25.8 13.2 39.1 23.4 107 117 A A H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.3 -1,-0.2 0.856 98.7 54.8 -68.2 -27.4 11.7 38.8 20.0 108 118 A R H X S+ 0 0 2 -4,-1.8 3,-1.3 1,-0.2 4,-0.7 0.941 107.6 52.9 -66.1 -48.2 7.6 36.6 21.7 111 121 A Y H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 4,-0.2 0.718 102.6 64.7 -56.5 -22.9 7.5 34.3 18.6 112 122 A E H 3< S+ 0 0 18 -4,-1.0 -1,-0.3 -3,-0.2 3,-0.2 0.800 110.7 30.6 -72.8 -32.4 7.3 31.5 21.0 113 123 A V H XX S+ 0 0 3 -3,-1.3 4,-2.4 -4,-0.7 3,-1.8 0.410 86.2 102.5-111.5 11.9 4.0 32.4 22.4 114 124 A I T 3< S+ 0 0 3 -4,-0.7 77,-0.5 1,-0.3 76,-0.5 0.608 84.0 51.0 -74.4 -14.5 2.2 34.1 19.5 115 125 A S T 34 S+ 0 0 48 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.471 118.0 39.8 -90.7 -4.0 0.1 31.1 18.7 116 126 A D T <4 S+ 0 0 104 -3,-1.8 2,-0.3 73,-0.0 -2,-0.2 0.600 102.4 80.9-113.9 -28.3 -0.9 30.9 22.4 117 127 A L S < S- 0 0 21 -4,-2.4 2,-1.2 1,-0.1 74,-0.1 -0.648 70.8-133.9 -95.4 149.9 -1.4 34.7 23.2 118 128 A E + 0 0 150 -2,-0.3 2,-0.3 72,-0.0 -20,-0.3 -0.761 48.2 153.4 -94.3 86.2 -4.3 36.9 22.5 119 129 A L - 0 0 17 -2,-1.2 -20,-0.2 -5,-0.2 3,-0.1 -0.894 48.2-141.6-118.2 147.7 -2.5 39.9 21.1 120 130 A S S S- 0 0 35 -22,-3.4 2,-0.3 -2,-0.3 -21,-0.2 0.777 82.7 -23.1 -77.7 -26.6 -3.7 42.6 18.7 121 131 A F E -g 99 0A 1 -23,-0.8 -21,-1.7 70,-0.2 2,-0.4 -0.972 52.4-138.5-171.9 164.5 -0.3 42.7 17.0 122 132 A L E -gh 100 193A 0 70,-2.0 72,-1.9 -2,-0.3 2,-0.4 -1.000 12.8-170.4-132.3 131.8 3.3 42.1 17.4 123 133 A I E -gh 101 194A 0 -23,-2.6 -21,-2.1 -2,-0.4 2,-0.4 -0.986 11.6-174.5-118.0 130.6 6.1 44.3 16.2 124 134 A T E -gh 102 195A 1 70,-2.4 72,-2.5 -2,-0.4 2,-0.4 -0.949 13.5-155.8-123.7 152.3 9.7 43.1 16.3 125 135 A A E S-gh 103 196A 1 -23,-1.7 -21,-2.1 -2,-0.4 -18,-0.2 -0.996 77.9 -21.0-123.1 135.2 13.1 44.7 15.5 126 136 A V S S- 0 0 2 70,-2.3 2,-0.3 -2,-0.4 71,-0.1 0.856 90.0-173.8 34.5 50.9 16.2 42.6 14.5 127 137 A G - 0 0 4 69,-0.5 2,-0.2 -24,-0.1 -1,-0.2 -0.557 23.8-119.2 -81.0 136.7 14.5 39.6 16.1 128 138 A V + 0 0 0 -24,-1.7 3,-0.2 -2,-0.3 -1,-0.1 -0.477 34.6 168.7 -82.2 130.2 16.3 36.4 16.5 129 139 A V S S+ 0 0 2 1,-0.2 2,-0.5 -2,-0.2 53,-0.3 0.590 75.7 42.8-106.2 -24.0 14.7 33.5 14.7 130 140 A N > - 0 0 25 1,-0.2 4,-2.2 52,-0.1 -1,-0.2 -0.875 66.2-174.5-129.0 89.0 17.6 31.0 15.0 131 141 A L H > S+ 0 0 0 45,-0.6 4,-2.7 -2,-0.5 5,-0.3 0.879 80.9 51.0 -54.2 -50.2 19.1 31.2 18.5 132 142 A R H > S+ 0 0 74 45,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.935 113.6 44.7 -57.8 -50.7 22.1 28.8 17.9 133 143 A D H > S+ 0 0 19 44,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.898 114.3 48.4 -58.4 -46.7 23.3 30.6 14.8 134 144 A T H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.953 111.9 49.3 -60.8 -47.9 22.9 34.1 16.3 135 145 A L H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 6,-0.4 0.831 109.9 52.3 -61.8 -32.9 24.7 33.1 19.5 136 146 A E H X S+ 0 0 76 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.962 112.4 44.9 -61.5 -51.7 27.5 31.7 17.4 137 147 A K H < S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.875 117.0 45.8 -61.2 -40.0 27.7 35.0 15.5 138 148 A A H < S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 121.6 33.9 -70.0 -39.4 27.6 37.0 18.6 139 149 A L H < S- 0 0 34 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.487 100.5-123.3-102.4 -6.6 30.1 35.0 20.7 140 150 A G S < S+ 0 0 70 -4,-1.6 2,-0.3 -5,-0.2 -4,-0.1 0.302 86.2 63.0 84.3 -11.4 32.5 33.9 17.9 141 151 A F S S- 0 0 85 -6,-0.4 2,-1.5 -5,-0.2 -2,-0.2 -0.990 84.2-117.4-144.6 149.9 32.0 30.2 18.7 142 152 A D > + 0 0 31 -2,-0.3 3,-1.7 1,-0.2 4,-0.3 -0.653 36.1 174.0 -83.6 84.8 29.1 27.7 18.7 143 153 A Y G > S+ 0 0 61 -2,-1.5 3,-1.8 1,-0.3 -1,-0.2 0.815 70.7 71.3 -66.5 -24.9 29.2 26.9 22.4 144 154 A L G 3 S+ 0 0 5 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.637 88.4 65.0 -67.4 -10.5 26.0 24.8 22.1 145 155 A S G < S+ 0 0 47 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.632 88.2 89.4 -82.5 -12.2 28.3 22.2 20.2 146 156 A L S < S- 0 0 38 -3,-1.8 2,-0.2 -4,-0.3 324,-0.1 -0.472 92.6 -97.4 -84.8 154.8 30.3 21.6 23.4 147 157 A P > - 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0 0 0 -5,-2.1 2,-0.6 -8,-0.1 -1,-0.3 -0.610 49.7-139.8 -87.7 145.2 39.6 -16.2 23.6 357 64 B H - 0 0 53 -28,-0.5 -26,-3.0 -2,-0.3 2,-0.4 -0.890 34.4-160.1 -95.5 124.0 39.8 -14.9 27.2 358 65 B V E -Np 318 331C 0 -40,-2.6 -40,-2.3 -2,-0.6 2,-0.4 -0.861 22.9-172.8-120.5 141.8 36.5 -13.0 27.6 359 66 B F E -Np 317 332C 8 -28,-2.5 -26,-1.6 -2,-0.4 2,-0.4 -0.994 5.6-170.9-130.6 137.7 35.2 -10.4 29.9 360 67 B R E -Np 316 333C 3 -44,-1.7 -44,-2.6 -2,-0.4 2,-0.3 -0.975 10.4-170.3-123.6 135.2 31.6 -9.3 29.9 361 68 B Y E -Np 315 334C 12 -28,-1.7 -26,-2.2 -2,-0.4 -25,-0.7 -0.962 11.1-152.9-132.9 151.6 30.6 -6.2 31.9 362 69 B D - 0 0 30 -48,-2.0 2,-0.3 -2,-0.3 -26,-0.3 0.305 42.1 -68.5 -89.7-136.4 27.3 -4.6 32.9 363 70 B S - 0 0 28 -27,-0.1 -49,-0.3 -28,-0.1 -1,-0.1 -0.926 46.6-101.4-124.1 147.5 26.6 -0.9 33.7 364 71 B L + 0 0 11 9,-0.5 2,-0.3 -2,-0.3 -51,-0.2 -0.300 54.0 153.1 -56.5 145.2 27.8 1.2 36.6 365 72 B H B M 312 0C 79 -53,-1.7 -53,-3.4 4,-0.0 4,-0.0 -0.955 360.0 360.0-165.7 170.4 25.1 1.7 39.2 366 73 B H 0 0 167 -2,-0.3 -55,-0.2 -55,-0.3 -56,-0.0 -0.842 360.0 360.0 -91.4 360.0 24.7 2.4 43.0 367 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 368 83 B E 0 0 98 0, 0.0 89,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-127.9 18.5 5.4 35.8 369 84 B F - 0 0 33 4,-0.1 2,-0.3 3,-0.0 89,-0.2 -0.303 360.0-178.0 -68.2 142.5 20.9 4.6 32.8 370 85 B T > - 0 0 19 87,-0.1 4,-1.4 95,-0.1 3,-0.1 -0.876 41.3-108.9-129.8 160.1 22.1 7.3 30.6 371 86 B M H > S+ 0 0 0 -2,-0.3 4,-2.1 91,-0.3 5,-0.1 0.812 120.6 56.4 -60.5 -28.5 24.4 6.8 27.5 372 87 B T H > S+ 0 0 19 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.885 101.7 55.4 -74.0 -37.0 27.2 8.5 29.4 373 88 B T H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -9,-0.5 0.890 107.0 52.2 -59.9 -34.2 26.8 6.0 32.2 374 89 B G H X S+ 0 0 8 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.955 109.5 47.8 -64.1 -50.8 27.4 3.4 29.4 375 90 B K H X S+ 0 0 54 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.907 111.2 50.7 -61.2 -37.5 30.6 5.2 28.3 376 91 B N H X S+ 0 0 66 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.868 106.6 54.6 -72.8 -28.5 31.9 5.4 31.8 377 92 B S H X S+ 0 0 1 -4,-1.8 4,-2.3 -3,-0.2 -1,-0.2 0.934 111.2 44.5 -65.5 -44.4 31.3 1.7 32.4 378 93 B L H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.962 114.0 49.6 -65.2 -49.1 33.4 0.7 29.3 379 94 B C H X S+ 0 0 42 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.893 110.0 53.4 -56.7 -38.1 36.1 3.2 30.3 380 95 B T H X S+ 0 0 20 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.987 112.6 41.2 -64.0 -53.1 36.2 1.8 33.8 381 96 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.888 114.4 51.8 -63.5 -41.9 36.6 -1.9 32.7 382 97 B Y H X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.977 112.5 46.1 -56.8 -51.4 39.2 -1.0 30.0 383 98 B H H X S+ 0 0 94 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.880 111.9 52.2 -60.3 -38.2 41.2 0.9 32.5 384 99 B W H X S+ 0 0 5 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.907 109.0 48.7 -65.4 -43.7 40.9 -2.0 35.1 385 100 B L H <>S+ 0 0 1 -4,-2.5 5,-2.3 1,-0.2 -1,-0.2 0.837 107.9 57.0 -64.5 -33.1 42.2 -4.6 32.6 386 101 B Q H ><5S+ 0 0 90 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.920 102.4 52.9 -64.2 -42.0 45.0 -2.2 31.8 387 102 B T H 3<5S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.760 102.9 58.6 -65.7 -25.4 46.1 -2.2 35.4 388 103 B K T 3<5S- 0 0 115 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.501 123.6-110.2 -80.3 0.6 46.1 -6.0 35.2 389 104 B G T < 5 + 0 0 54 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.523 67.1 151.1 86.4 7.5 48.7 -5.5 32.5 390 105 B T < + 0 0 37 -5,-2.3 -1,-0.3 1,-0.2 -2,-0.1 -0.526 14.9 172.1 -73.2 131.3 46.4 -6.7 29.7 391 106 B Q + 0 0 161 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.812 51.9 58.6-113.6 -31.1 47.4 -5.0 26.6 392 107 B N + 0 0 64 -64,-0.3 -62,-2.1 22,-0.1 2,-0.4 -0.923 64.1 172.3-111.2 117.5 45.7 -6.2 23.5 393 108 B I E -o 330 0C 1 -2,-0.6 22,-2.5 20,-0.3 23,-0.6 -0.991 17.2-168.5-138.0 122.4 41.9 -5.8 23.8 394 109 B G E -oq 331 416C 0 -64,-2.4 -62,-2.0 -2,-0.4 2,-0.4 -0.662 15.5-148.3 -96.6 160.0 39.2 -6.3 21.2 395 110 B L E -oq 332 417C 1 21,-1.4 23,-2.3 -2,-0.2 2,-0.4 -0.990 9.9-165.7-135.2 143.6 35.5 -5.1 21.8 396 111 B I E +oq 333 418C 6 -64,-1.7 -62,-1.9 -2,-0.4 2,-0.3 -0.996 17.9 168.9-126.9 130.7 32.2 -6.5 20.7 397 112 B A E - q 0 419C 3 21,-1.9 23,-1.6 -2,-0.4 2,-0.3 -0.997 12.8-162.7-145.1 147.5 29.1 -4.4 21.1 398 113 B A E >> - q 0 420C 12 -2,-0.3 3,-1.2 -64,-0.3 4,-0.5 -0.943 51.6 -26.3-134.6 148.1 25.5 -4.7 19.7 399 114 B S H >> S+ 0 0 9 21,-2.3 24,-1.6 -2,-0.3 3,-1.0 -0.175 130.4 4.3 55.1-132.4 22.5 -2.3 19.3 400 115 B L H >> S+ 0 0 4 1,-0.2 3,-1.1 2,-0.2 4,-1.1 0.855 131.2 58.7 -49.1 -43.5 22.5 0.6 21.8 401 116 B S H <> S+ 0 0 22 -3,-1.2 4,-1.8 1,-0.3 -1,-0.2 0.796 94.3 64.0 -62.8 -28.3 25.9 -0.4 23.2 402 117 B A H X S+ 0 0 1 -4,-1.0 4,-2.0 -3,-0.3 3,-1.8 0.427 87.2 102.3-104.6 6.2 35.2 6.3 22.4 409 124 B I T 3< S+ 0 0 2 -4,-0.7 77,-0.5 -3,-0.4 76,-0.4 0.582 82.6 51.8 -73.2 -13.3 36.9 4.6 19.4 410 125 B S T 34 S+ 0 0 50 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.522 115.4 43.4 -89.7 -3.8 39.1 7.5 18.6 411 126 B D T <4 S+ 0 0 103 -3,-1.8 2,-0.4 1,-0.1 -2,-0.2 0.757 102.1 70.2-105.8 -30.6 40.3 7.7 22.3 412 127 B L S < S- 0 0 24 -4,-2.0 2,-1.4 1,-0.0 74,-0.1 -0.755 74.2-132.2 -95.1 142.3 40.9 4.0 23.2 413 128 B E + 0 0 166 -2,-0.4 2,-0.4 72,-0.0 -20,-0.3 -0.659 45.1 161.6 -84.5 85.8 43.7 1.8 21.9 414 129 B L - 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0 0 120 -2,-0.4 -282,-0.6 1,-0.1 -2,-0.1 -0.666 36.6-120.8 -68.3 121.4 35.1 -8.8 47.5 587 302 B P E -l 304 0C 61 0, 0.0 2,-0.4 0, 0.0 -282,-0.2 -0.346 21.0-141.4 -59.4 149.5 34.7 -5.6 45.4 588 303 B E E -l 305 0C 63 -284,-3.2 -282,-3.1 -2,-0.0 2,-0.2 -0.902 18.7-119.2-113.3 139.4 37.8 -4.6 43.4 589 304 B M E l 306 0C 144 -2,-0.4 -282,-0.2 -284,-0.2 -284,-0.0 -0.632 360.0 360.0 -79.9 143.5 38.6 -0.8 43.2 590 305 B A 0 0 38 -284,-1.6 -283,-0.2 -2,-0.2 -1,-0.1 0.386 360.0 360.0-147.4 360.0 38.6 0.5 39.6