==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JAN-08 3BXV . COMPND 2 MOLECULE: SULFUR OXYGENASE/REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDIANUS TENGCHONGENSES; . AUTHOR W.R.CHANG,M.LI . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 25.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 1 0 0 1 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 3 3 0 1 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 0 0 0 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 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 1 A M 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -92.4 88.8 147.4 52.2 2 2 A P - 0 0 31 0, 0.0 306,-0.2 0, 0.0 79,-0.0 0.731 360.0-172.9-117.8 147.1 90.2 144.9 51.2 3 3 A K - 0 0 74 116,-0.1 116,-0.1 304,-0.1 303,-0.0 -0.853 27.0-147.1 -90.5 116.5 88.1 141.9 50.1 4 4 A P - 0 0 2 0, 0.0 115,-0.5 0, 0.0 2,-0.3 -0.222 17.3-102.9 -77.3 178.4 90.7 139.2 49.4 5 5 A Y E -A 80 0A 64 75,-3.7 75,-2.6 113,-0.1 2,-0.4 -0.734 34.3-141.7 -98.2 153.0 90.3 136.6 46.8 6 6 A I E -AB 79 117A 0 111,-2.6 111,-4.4 -2,-0.3 2,-0.4 -0.972 14.3-169.0-124.7 131.8 89.3 133.1 47.9 7 7 A A E -AB 78 116A 0 71,-2.0 71,-1.9 -2,-0.4 2,-0.6 -0.948 11.5-158.4-110.7 133.7 90.4 129.7 46.6 8 8 A I E -A 77 0A 0 107,-2.3 2,-0.5 -2,-0.4 69,-0.2 -0.904 1.9-156.7-120.2 106.0 88.4 126.7 47.8 9 9 A N E -A 76 0A 33 67,-2.6 67,-2.2 -2,-0.6 2,-0.4 -0.683 15.5-169.2 -81.0 123.7 90.1 123.3 47.6 10 10 A M E +AC 75 113A 16 103,-2.2 103,-1.3 -2,-0.5 2,-0.3 -0.952 14.5 154.7-120.8 133.2 87.6 120.4 47.5 11 11 A A E -A 74 0A 5 63,-1.1 63,-1.8 -2,-0.4 2,-0.5 -0.995 32.9-136.7-153.4 151.6 88.2 116.7 47.9 12 12 A D E +AC 73 110A 25 98,-2.8 97,-3.1 -2,-0.3 98,-1.5 -0.955 31.2 176.0-111.9 129.4 86.4 113.6 49.0 13 13 A L E -AC 72 108A 5 59,-2.6 59,-2.6 -2,-0.5 95,-0.2 -0.925 40.3 -81.3-133.8 158.9 88.3 111.2 51.2 14 14 A K E -A 71 0A 94 93,-2.0 2,-1.0 -2,-0.3 57,-0.3 -0.326 37.1-137.2 -57.2 126.6 87.8 108.0 53.1 15 15 A N + 0 0 44 55,-2.7 -1,-0.2 4,-0.1 56,-0.1 -0.160 68.5 110.6 -83.7 43.4 86.1 108.8 56.4 16 16 A E S > S- 0 0 60 -2,-1.0 4,-0.9 91,-0.1 3,-0.2 -0.474 83.4-100.5-102.1-178.5 88.3 106.4 58.3 17 17 A P H > S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.778 113.9 68.0 -78.0 -27.9 91.0 107.4 60.9 18 18 A K H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 101.7 53.7 -56.5 -35.8 94.1 107.0 58.6 19 19 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 108.6 45.0 -62.1 -48.3 92.6 110.0 56.8 20 20 A F H X S+ 0 0 80 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.740 110.5 57.1 -72.5 -20.2 92.3 112.2 59.9 21 21 A E H X S+ 0 0 127 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.945 107.3 45.9 -73.1 -48.0 95.8 111.1 60.9 22 22 A M H >X>S+ 0 0 27 -4,-2.3 4,-3.0 1,-0.2 5,-0.7 0.922 109.7 56.1 -59.5 -42.5 97.3 112.3 57.7 23 23 A F H 3X5S+ 0 0 48 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.932 107.1 50.0 -51.5 -50.2 95.3 115.6 58.1 24 24 A S H 3<5S+ 0 0 100 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.754 117.6 40.4 -59.6 -29.9 96.9 116.0 61.5 25 25 A A H <<5S+ 0 0 62 -4,-1.4 4,-0.4 -3,-0.6 -2,-0.2 0.814 128.9 19.7 -96.0 -33.4 100.4 115.5 60.0 26 26 A V H X5S+ 0 0 14 -4,-3.0 4,-2.8 2,-0.1 5,-0.3 0.690 102.9 78.1-112.3 -22.4 100.5 117.3 56.6 27 27 A G H X S+ 0 0 54 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.925 110.8 50.1 -55.1 -50.7 100.0 121.9 59.0 29 29 A K H > S+ 0 0 110 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.857 109.7 49.9 -59.1 -42.0 102.9 121.5 56.5 30 30 A V H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.936 111.4 47.9 -64.8 -46.7 100.8 122.5 53.5 31 31 A C H X S+ 0 0 23 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.793 110.1 53.7 -66.1 -27.7 99.5 125.7 55.2 32 32 A M H < S+ 0 0 122 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.896 109.3 47.7 -72.0 -38.5 103.0 126.5 56.3 33 33 A V H >< S+ 0 0 10 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.833 106.9 56.9 -70.7 -31.8 104.2 126.3 52.7 34 34 A T H >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.744 98.9 62.1 -70.6 -21.8 101.3 128.4 51.5 35 35 A A T 3< S+ 0 0 57 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.277 77.3 87.7 -86.8 9.2 102.5 131.1 53.9 36 36 A R T < S+ 0 0 112 -3,-1.4 -1,-0.2 53,-0.0 -2,-0.1 0.491 80.0 75.6 -83.8 -1.4 105.8 131.4 52.0 37 37 A H S X S- 0 0 12 -3,-0.8 3,-1.3 1,-0.1 52,-0.0 -0.938 75.6-143.3-116.6 130.2 104.0 133.9 49.8 38 38 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.580 99.1 65.8 -64.7 -14.8 103.2 137.6 50.9 39 39 A G T 3 S+ 0 0 3 46,-0.1 42,-1.6 41,-0.1 2,-0.2 0.761 79.8 98.2 -80.3 -23.7 99.9 137.5 49.0 40 40 A F E < +D 80 0A 26 -3,-1.3 40,-0.2 -6,-0.2 3,-0.1 -0.448 44.1 169.1 -63.2 127.6 98.7 134.8 51.5 41 41 A V E - 0 0 16 38,-2.5 264,-0.3 1,-0.4 2,-0.2 0.361 53.7 -57.3-125.4 4.6 96.6 136.5 54.2 42 42 A G E -D 79 0A 0 37,-0.6 37,-3.2 260,-0.1 -1,-0.4 -0.782 47.6-125.8 141.0 174.4 95.0 133.6 56.0 43 43 A F E -DE 78 299A 22 256,-0.5 256,-2.5 35,-0.2 2,-0.3 -0.957 6.2-151.6-152.3 167.9 92.7 130.6 55.7 44 44 A Q E -DE 77 298A 0 33,-2.5 33,-2.7 -2,-0.3 2,-0.5 -0.836 17.1-165.2-147.8 103.4 89.7 128.7 56.8 45 45 A N E -DE 76 297A 11 252,-2.7 252,-0.7 -2,-0.3 251,-0.6 -0.805 10.4-171.1 -94.4 127.4 89.6 124.9 56.5 46 46 A H E -DE 75 295A 3 29,-2.6 29,-2.5 -2,-0.5 2,-0.4 -0.862 17.4-154.1-118.2 152.6 86.3 123.1 56.9 47 47 A V E -DE 74 294A 24 247,-1.4 247,-2.9 -2,-0.3 2,-0.4 -0.985 29.7-122.4-118.1 128.5 85.3 119.5 57.2 48 48 A Q E + E 0 293A 28 25,-3.3 25,-0.3 -2,-0.4 245,-0.3 -0.628 34.3 171.6 -74.3 130.1 81.8 118.7 55.9 49 49 A I E - 0 0 22 243,-2.3 16,-3.6 -2,-0.4 17,-0.5 0.667 55.3 -28.5-108.9 -21.7 79.7 117.2 58.6 50 50 A G E - E 0 292A 2 242,-1.7 242,-1.8 14,-0.3 2,-0.3 -0.887 54.5 -96.6-167.1-165.5 76.2 117.1 57.1 51 51 A V E - E 0 291A 4 11,-2.2 240,-0.2 240,-0.3 13,-0.1 -0.999 31.3-119.2-140.1 133.7 73.5 118.4 54.8 52 52 A L - 0 0 12 238,-2.7 238,-0.5 -2,-0.3 10,-0.1 -0.708 28.2-160.8 -74.4 116.0 70.6 120.8 55.4 53 53 A P >> - 0 0 22 0, 0.0 5,-1.4 0, 0.0 4,-1.2 0.635 15.8-140.1 -70.0 -27.5 67.5 118.5 54.6 54 54 A F T >45 - 0 0 71 1,-0.2 2,-1.0 3,-0.2 3,-0.7 0.979 69.9 -53.3 58.9 57.4 64.8 121.1 54.0 55 55 A G T 345S- 0 0 75 1,-0.2 -1,-0.2 2,-0.1 3,-0.0 -0.706 117.4 -30.1 80.2-107.6 62.2 119.0 55.8 56 56 A E T >45S+ 0 0 173 -2,-1.0 3,-0.6 1,-0.1 -1,-0.2 -0.087 102.9 112.9-136.9 37.2 62.4 115.8 53.9 57 57 A R T <<5S+ 0 0 172 -4,-1.2 2,-0.3 -3,-0.7 -3,-0.2 0.795 97.9 30.2 -72.3 -32.6 63.5 117.1 50.5 58 58 A F T > > + 0 0 39 -16,-3.6 4,-2.0 -2,-0.5 3,-1.5 0.196 38.2 112.8-115.0 9.8 76.1 112.6 59.2 66 66 A T T 34 S+ 0 0 59 -17,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.792 76.2 54.0 -54.8 -30.7 79.7 112.2 60.5 67 67 A K T 34 S+ 0 0 194 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.681 119.5 30.3 -78.9 -19.2 78.7 108.9 62.2 68 68 A E T <4 S+ 0 0 109 -3,-1.5 2,-0.2 -4,-0.0 -2,-0.2 0.527 91.9 102.8-118.3 -8.4 77.2 107.3 59.1 69 69 A S < - 0 0 49 -4,-2.0 3,-0.0 1,-0.1 -4,-0.0 -0.539 50.0-158.8 -82.0 141.1 79.2 108.7 56.1 70 70 A S S S+ 0 0 100 -2,-0.2 -55,-2.7 -56,-0.1 2,-0.3 0.679 80.2 36.4 -90.0 -19.1 81.9 106.5 54.4 71 71 A T E S-A 14 0A 44 -57,-0.3 2,-0.4 -56,-0.1 -57,-0.2 -0.809 71.2-148.6-123.9 168.9 83.7 109.5 52.8 72 72 A V E -A 13 0A 10 -59,-2.6 -59,-2.6 -2,-0.3 2,-0.4 -0.998 7.6-144.9-140.1 133.4 84.3 113.0 54.1 73 73 A R E -A 12 0A 41 -2,-0.4 -25,-3.3 -25,-0.3 2,-0.3 -0.839 11.1-159.1-100.2 137.1 84.6 116.2 52.1 74 74 A V E -AD 11 47A 5 -63,-1.8 -63,-1.1 -2,-0.4 2,-0.4 -0.818 4.7-163.3-108.6 153.0 87.0 119.0 53.0 75 75 A L E -AD 10 46A 0 -29,-2.5 -29,-2.6 -2,-0.3 2,-0.7 -0.875 10.5-168.4-138.6 100.3 86.6 122.6 51.9 76 76 A Q E -AD 9 45A 62 -67,-2.2 -67,-2.6 -2,-0.4 2,-0.5 -0.862 3.9-159.8-101.8 114.8 89.9 124.6 52.4 77 77 A Y E -AD 8 44A 0 -33,-2.7 -33,-2.5 -2,-0.7 2,-0.4 -0.796 8.7-176.6 -91.5 121.9 89.7 128.3 52.1 78 78 A T E -AD 7 43A 18 -71,-1.9 -71,-2.0 -2,-0.5 2,-0.4 -0.982 17.7-141.4-118.6 134.9 92.9 130.2 51.4 79 79 A M E -AD 6 42A 0 -37,-3.2 -38,-2.5 -2,-0.4 -37,-0.6 -0.828 18.5-173.4-104.0 136.8 92.8 134.0 51.2 80 80 A W E -AD 5 40A 2 -75,-2.6 -75,-3.7 -2,-0.4 3,-0.2 -0.951 34.1-142.1-132.0 144.4 94.7 136.1 48.8 81 81 A K S S+ 0 0 106 -42,-1.6 2,-0.4 -2,-0.3 -1,-0.1 0.927 105.6 8.7 -62.4 -42.2 95.3 139.8 48.2 82 82 A D S >> S- 0 0 57 -43,-0.1 3,-2.4 -77,-0.1 4,-0.6 -0.995 75.1-131.9-141.4 131.1 95.2 138.9 44.5 83 83 A W H 3> S+ 0 0 49 -2,-0.4 4,-1.2 1,-0.3 3,-0.4 0.725 105.9 66.8 -56.8 -24.1 94.2 135.5 43.1 84 84 A K H 3> S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.765 91.6 64.4 -68.4 -21.9 97.2 135.5 40.8 85 85 A D H <> S+ 0 0 29 -3,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.888 97.9 54.6 -64.5 -39.5 99.2 135.3 44.0 86 86 A H H >X S+ 0 0 1 -4,-0.6 4,-1.9 -3,-0.4 3,-0.6 0.934 107.0 48.1 -58.9 -50.9 97.7 131.9 44.7 87 87 A E H 3X S+ 0 0 17 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.868 112.0 51.6 -57.5 -38.8 98.7 130.5 41.3 88 88 A E H 3X S+ 0 0 87 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.718 106.1 52.0 -74.0 -26.5 102.2 131.7 41.9 89 89 A M H < S+ 0 0 91 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.927 115.2 47.4 -72.5 -46.3 104.2 127.3 41.1 92 92 A Q H 3< S+ 0 0 104 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.863 122.5 34.5 -61.1 -42.8 107.0 128.5 43.3 93 93 A N T 3X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 -0.192 79.3 126.9-110.8 42.3 106.5 125.8 46.0 94 94 A W H <> + 0 0 8 -3,-1.0 4,-2.9 1,-0.2 5,-0.4 0.868 67.0 55.4 -66.9 -43.1 105.5 122.9 43.7 95 95 A S H > S+ 0 0 48 -3,-0.2 4,-1.1 -4,-0.2 -1,-0.2 0.874 118.4 34.9 -63.0 -36.9 108.0 120.3 44.9 96 96 A Y H > S+ 0 0 138 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.970 120.1 48.8 -75.7 -60.2 106.9 120.7 48.5 97 97 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -3,-0.2 0.868 116.6 41.8 -42.0 -55.2 103.2 121.3 47.8 98 98 A F H X S+ 0 0 0 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.947 113.1 48.7 -65.9 -52.9 102.9 118.4 45.4 99 99 A R H X S+ 0 0 105 -4,-1.1 4,-1.0 -5,-0.4 -1,-0.2 0.786 115.1 51.6 -59.2 -23.5 104.8 115.7 47.3 100 100 A L H < S+ 0 0 25 -4,-2.0 4,-0.4 2,-0.2 3,-0.3 0.926 107.7 46.4 -77.8 -51.7 102.8 116.8 50.3 101 101 A C H < S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.524 108.2 61.0 -71.9 -3.7 99.3 116.5 48.8 102 102 A Y H >< S+ 0 0 54 -4,-0.9 3,-4.0 1,-0.2 4,-0.4 0.875 83.1 73.3 -87.4 -42.4 100.2 113.2 47.4 103 103 A S T 3< S+ 0 0 70 -4,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.728 99.3 52.6 -43.3 -22.4 100.9 111.4 50.6 104 104 A C T > S+ 0 0 18 -4,-0.4 3,-0.5 1,-0.2 -1,-0.3 0.031 78.3 98.8-103.0 24.2 97.1 111.6 50.9 105 105 A A G X S+ 0 0 39 -3,-4.0 3,-2.1 1,-0.2 -1,-0.2 0.915 72.9 64.9 -73.2 -42.9 96.5 109.9 47.6 106 106 A S G 3 S+ 0 0 76 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.628 108.8 42.4 -51.8 -14.6 95.9 106.6 49.2 107 107 A Q G < S+ 0 0 7 -3,-0.5 -93,-2.0 -89,-0.1 -1,-0.3 0.458 88.9 113.4-114.9 -3.1 92.9 108.3 50.8 108 108 A M E < +C 13 0A 58 -3,-2.1 -95,-0.2 -4,-0.3 3,-0.1 -0.498 25.7 165.1 -76.5 134.7 91.4 110.2 47.8 109 109 A V E S- 0 0 91 -97,-3.1 2,-0.3 1,-0.5 -96,-0.2 0.621 76.5 -6.2-114.7 -28.3 88.1 109.3 46.3 110 110 A W E S+C 12 0A 108 -98,-1.5 -98,-2.8 3,-0.0 -1,-0.5 -0.968 92.1 3.3-164.4 152.8 87.7 112.6 44.3 111 111 A G E - 0 0 29 -2,-0.3 -100,-0.2 1,-0.3 2,-0.1 -0.428 14.8-165.4 100.1-179.0 89.4 115.9 43.9 112 112 A P E + 0 0 21 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.482 46.1 160.9 -78.1 152.3 91.4 118.0 44.3 113 113 A W E -C 10 0A 87 -103,-1.3 -103,-2.2 -3,-0.1 96,-0.1 -0.938 13.0-177.1-141.2 111.6 89.2 120.7 42.7 114 114 A E - 0 0 6 91,-0.4 91,-2.6 -2,-0.4 -105,-0.2 -0.675 2.4-177.1-118.9 78.5 90.2 124.3 43.5 115 115 A P E - F 0 204A 1 0, 0.0 -107,-2.3 0, 0.0 2,-0.4 -0.314 22.8-128.8 -68.0 155.0 87.8 126.9 42.1 116 116 A I E -BF 7 203A 2 87,-3.4 86,-2.9 -109,-0.2 87,-0.8 -0.909 25.3-164.4-110.7 136.6 88.7 130.6 42.6 117 117 A Y E -BF 6 201A 12 -111,-4.4 -111,-2.6 -2,-0.4 2,-0.4 -0.865 15.4-153.7-125.3 154.9 86.2 133.1 44.1 118 118 A E E - F 0 200A 45 82,-2.4 82,-2.7 -2,-0.3 2,-0.6 -0.921 30.2-116.1-119.4 146.6 85.7 136.8 44.4 119 119 A I E + F 0 199A 17 -115,-0.5 80,-0.2 -2,-0.4 3,-0.1 -0.753 28.8 176.1 -91.6 120.4 83.6 138.3 47.2 120 120 A K E S+ 0 0 81 78,-1.9 2,-0.3 -2,-0.6 -1,-0.2 0.796 77.9 5.3 -86.4 -32.5 80.4 140.2 46.2 121 121 A Y E - 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0 0 0 -91,-2.6 4,-1.1 -2,-0.4 3,-0.5 -0.687 23.6-169.5 -78.3 98.9 93.1 126.8 39.6 206 206 A G T 34>S+ 0 0 2 -2,-1.2 5,-2.9 1,-0.2 3,-0.2 0.849 85.0 51.3 -59.8 -35.3 94.1 124.0 37.2 207 207 A I T >45S+ 0 0 0 1,-0.2 3,-0.6 3,-0.2 -1,-0.2 0.769 109.6 50.7 -72.8 -26.5 97.4 123.4 39.0 208 208 A G T <45S+ 0 0 3 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.662 110.0 50.4 -84.0 -15.2 95.5 123.2 42.3 209 209 A S T 3<5S- 0 0 5 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.241 115.6-115.7-101.1 7.6 93.1 120.7 40.8 210 210 A F T < 5 + 0 0 33 -3,-0.6 2,-0.6 1,-0.2 -3,-0.2 0.943 64.6 151.6 54.2 50.0 96.0 118.5 39.5 211 211 A Q < + 0 0 89 -5,-2.9 -1,-0.2 -6,-0.1 24,-0.2 -0.891 11.8 151.8-119.0 96.4 94.8 119.3 36.0 212 212 A F - 0 0 20 -2,-0.6 22,-0.2 1,-0.2 2,-0.1 -0.448 45.2 -91.1-111.4-176.5 97.7 119.2 33.6 213 213 A G > - 0 0 11 20,-2.0 4,-2.7 -2,-0.2 5,-0.3 -0.227 63.4 -69.7 -87.4-175.1 98.1 118.4 29.9 214 214 A S H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.877 134.6 49.0 -41.9 -49.8 98.9 114.9 28.5 215 215 A K H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.947 112.7 43.1 -59.8 -56.6 102.4 115.0 30.0 216 216 A G H > S+ 0 0 0 17,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.907 108.0 61.2 -57.9 -42.0 101.6 116.1 33.5 217 217 A F H X S+ 0 0 103 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.907 106.5 47.6 -47.3 -48.4 98.6 113.7 33.6 218 218 A H H X S+ 0 0 91 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.852 110.7 47.8 -67.0 -39.6 101.1 110.9 33.1 219 219 A Q H X S+ 0 0 67 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.792 110.4 56.1 -72.2 -25.6 103.6 112.0 35.7 220 220 A L H >< S+ 0 0 25 -4,-2.5 3,-0.6 -5,-0.2 -2,-0.2 0.950 113.4 37.6 -66.3 -52.1 100.7 112.4 38.1 221 221 A L H 3< S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.719 121.1 46.9 -74.5 -22.5 99.6 108.8 37.6 222 222 A E H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.446 83.5 129.0 -98.0 -1.4 103.2 107.5 37.5 223 223 A S << - 0 0 14 -4,-0.6 5,-0.1 -3,-0.6 -3,-0.1 -0.299 44.6-163.8 -64.4 130.4 104.4 109.4 40.5 224 224 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.532 56.8-101.5 -85.9 -7.5 106.3 107.5 43.3 225 225 A G S S+ 0 0 23 2,-0.3 -122,-0.1 -123,-0.0 -123,-0.1 0.180 111.6 79.1 106.7 -15.4 105.7 110.5 45.5 226 226 A S S S+ 0 0 67 1,-0.0 2,-0.3 2,-0.0 -127,-0.1 0.115 85.8 58.4-111.8 20.5 109.2 112.0 45.2 227 227 A L S S- 0 0 106 -8,-0.1 -2,-0.3 -129,-0.0 -1,-0.0 -0.986 71.1-139.1-148.3 137.9 108.8 113.7 41.8 228 228 A E - 0 0 56 -2,-0.3 2,-0.1 1,-0.1 -133,-0.1 -0.631 20.8-112.1-100.8 157.6 106.4 116.4 40.6 229 229 A P - 0 0 1 0, 0.0 -13,-0.1 0, 0.0 -131,-0.1 -0.472 54.9 -84.0 -76.6 153.3 104.6 116.8 37.3 230 230 A D > - 0 0 44 1,-0.2 3,-1.8 -2,-0.1 -14,-0.1 -0.497 38.4-152.6 -61.4 116.2 105.8 119.8 35.2 231 231 A P G > S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.682 92.5 62.1 -67.3 -13.7 103.9 122.7 36.7 232 232 A N G 3 S+ 0 0 122 1,-0.2 -2,-0.1 -141,-0.1 -141,-0.0 0.438 82.7 83.5 -89.8 2.7 104.1 124.6 33.4 233 233 A N G < + 0 0 23 -3,-1.8 -20,-2.0 -20,-0.1 2,-0.7 0.086 56.3 119.7 -90.0 19.9 102.1 121.8 31.8 234 234 A V < - 0 0 16 -3,-0.6 -22,-0.2 -22,-0.2 -27,-0.1 -0.836 53.4-157.7 -86.2 118.4 98.9 123.4 33.0 235 235 A M + 0 0 136 -2,-0.7 2,-0.3 -24,-0.2 -1,-0.1 0.447 62.7 39.1 -79.3 -5.5 97.1 124.0 29.7 236 236 A Y S S- 0 0 59 5,-0.0 2,-0.4 3,-0.0 -30,-0.2 -0.928 74.6-116.3-141.7 167.7 94.7 126.8 30.7 237 237 A Q >> - 0 0 136 -2,-0.3 3,-2.6 1,-0.1 4,-0.6 -0.851 36.9-105.9-108.7 143.2 94.5 129.8 32.9 238 238 A A G >4 S+ 0 0 4 -2,-0.4 3,-1.8 1,-0.3 -34,-1.8 0.770 117.2 51.0 -28.9 -56.9 92.2 130.2 35.9 239 239 A P G >4 S+ 0 0 61 0, 0.0 3,-2.3 0, 0.0 -1,-0.3 0.742 93.5 71.8 -60.2 -27.3 89.7 132.5 34.1 240 240 A E G <4 S+ 0 0 129 -3,-2.6 -2,-0.2 1,-0.3 -37,-0.1 0.765 98.0 53.3 -61.9 -18.5 89.3 130.3 31.1 241 241 A A G << S+ 0 0 30 -3,-1.8 -1,-0.3 -4,-0.6 -38,-0.3 0.061 72.1 132.0-102.4 18.1 87.4 128.1 33.5 242 242 A K < - 0 0 103 -3,-2.3 2,-0.2 -40,-0.3 -40,-0.1 -0.636 58.2-129.1 -66.7 127.6 84.9 130.8 34.6 243 243 A P - 0 0 28 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 -0.559 11.1-130.7 -88.6 148.4 81.6 128.9 34.3 244 244 A T S S+ 0 0 120 -2,-0.2 -75,-0.1 2,-0.1 -77,-0.0 -0.984 97.4 53.3-131.4 122.5 78.4 129.8 32.5 245 245 A P S S- 0 0 41 0, 0.0 -76,-0.1 0, 0.0 2,-0.0 0.436 112.2-111.2 -63.6 158.8 75.9 129.6 33.9 246 246 A P - 0 0 8 0, 0.0 -78,-2.2 0, 0.0 2,-0.4 -0.312 31.0-145.1 -62.9 145.5 77.4 131.7 36.8 247 247 A Q E -G 167 0A 71 -46,-0.3 -46,-2.7 -4,-0.2 2,-0.2 -0.974 17.5-177.3-125.0 132.4 78.1 129.9 40.1 248 248 A Y E -GI 166 200A 4 -82,-3.2 -82,-1.8 -2,-0.4 2,-0.4 -0.724 18.3-150.8-121.7 166.6 77.8 131.2 43.7 249 249 A I E -GI 165 199A 4 -50,-1.8 -50,-2.6 -2,-0.2 2,-0.9 -0.961 6.1-158.1-139.4 116.2 78.3 130.2 47.3 250 250 A V E -GI 164 198A 12 -86,-2.1 -86,-2.2 -2,-0.4 2,-0.6 -0.865 17.7-169.3 -97.6 100.8 76.3 131.7 50.1 251 251 A H E +GI 163 197A 0 -54,-2.2 -54,-2.3 -2,-0.9 2,-0.4 -0.844 9.5 174.9 -95.4 117.9 78.5 131.1 53.1 252 252 A V E -GI 162 196A 0 -90,-2.4 -90,-3.0 -2,-0.6 2,-0.3 -0.985 17.5-148.7-132.9 125.5 76.7 131.8 56.4 253 253 A E E -GI 161 195A 0 -58,-3.1 -59,-2.5 -2,-0.4 -58,-0.8 -0.722 17.2-179.3 -97.3 141.3 78.1 131.3 59.9 254 254 A W E -GI 160 193A 0 -94,-2.7 -94,-1.8 -2,-0.3 -61,-0.2 -0.907 37.0-120.5-134.2 160.5 75.9 130.3 62.9 255 255 A A S S- 0 0 41 -63,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.910 91.3 -10.7 -66.7 -43.4 76.4 129.7 66.6 256 256 A N S > S- 0 0 80 -97,-0.1 4,-2.0 -64,-0.1 5,-0.2 -0.875 77.9 -88.4-148.3 177.1 75.1 126.1 66.5 257 257 A L H > S+ 0 0 45 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.761 125.1 47.9 -65.5 -23.6 73.2 123.6 64.2 258 258 A D H > S+ 0 0 94 2,-0.2 4,-3.0 3,-0.2 5,-0.4 0.872 108.5 51.0 -83.6 -40.0 69.8 124.9 65.5 259 259 A A H > S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.887 115.5 46.2 -61.0 -38.7 70.6 128.6 65.1 260 260 A L H X>S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.5 0.943 112.9 48.5 -65.8 -51.4 71.6 127.7 61.6 261 261 A Q H X5S+ 0 0 69 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.915 123.1 30.8 -57.5 -48.8 68.5 125.5 61.0 262 262 A F H <5S+ 0 0 119 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.680 117.1 57.0 -89.7 -17.5 66.0 128.1 62.2 263 263 A G H ><5S+ 0 0 3 -4,-1.6 3,-0.9 -5,-0.4 -3,-0.2 0.956 117.8 32.2 -74.9 -52.1 67.9 131.2 61.2 264 264 A M H ><5S+ 0 0 20 -4,-2.2 3,-3.2 -5,-0.3 4,-0.3 0.948 109.0 67.9 -65.5 -50.1 68.2 130.2 57.6 265 265 A G T >X S+ 0 0 65 -3,-0.9 4,-2.5 1,-0.3 8,-0.5 0.808 76.1 62.1 -62.1 -33.9 63.7 132.1 58.3 267 267 A V H <4 S+ 0 0 17 -3,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.557 115.8 36.5 -70.6 -4.1 63.5 132.6 54.5 268 268 A L H <4 S+ 0 0 82 -3,-1.6 -2,-0.3 -4,-0.3 -1,-0.2 0.645 124.5 36.8-114.1 -31.4 60.9 129.9 54.8 269 269 A L H < S+ 0 0 126 -4,-1.9 -3,-0.2 -7,-0.1 -2,-0.2 0.698 103.4 68.2-100.7 -25.3 59.1 130.7 58.1 270 270 A S X - 0 0 33 -4,-2.5 4,-3.6 -5,-0.2 5,-0.2 -0.879 65.4-151.7-101.8 123.9 59.1 134.5 58.2 271 271 A P H > S+ 0 0 104 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.915 98.4 54.1 -56.6 -43.4 56.8 136.2 55.6 272 272 A E H > S+ 0 0 106 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.934 117.8 35.0 -52.7 -53.7 59.0 139.3 55.7 273 273 A Y H >> S+ 0 0 4 -7,-0.2 4,-2.1 1,-0.2 3,-0.7 0.913 112.1 61.1 -65.9 -49.9 62.1 137.2 54.9 274 274 A R H 3X S+ 0 0 130 -4,-3.6 4,-0.8 -8,-0.5 -1,-0.2 0.695 102.8 50.8 -55.5 -24.0 60.4 134.7 52.6 275 275 A E H 3< S+ 0 0 138 -4,-1.4 4,-0.4 -3,-0.3 -1,-0.2 0.795 109.8 47.9 -89.5 -29.3 59.3 137.4 50.1 276 276 A V H X< S+ 0 0 10 -4,-0.8 3,-0.7 -3,-0.7 4,-0.4 0.889 114.2 47.9 -72.4 -40.9 62.7 139.0 49.7 277 277 A H H >X S+ 0 0 18 -4,-2.1 4,-1.8 1,-0.2 3,-0.9 0.753 94.1 73.9 -72.9 -28.0 64.3 135.6 49.2 278 278 A D H 3X S+ 0 0 67 -4,-0.8 4,-0.5 1,-0.3 -1,-0.2 0.776 91.2 60.1 -59.4 -25.2 61.7 134.3 46.7 279 279 A E H X4 S+ 0 0 90 -3,-0.7 3,-0.5 -4,-0.4 4,-0.3 0.850 102.8 49.4 -69.5 -36.7 63.4 136.6 44.1 280 280 A A H X4 S+ 0 0 1 -3,-0.9 3,-1.4 -4,-0.4 4,-0.3 0.901 107.0 56.8 -67.0 -40.1 66.7 134.8 44.5 281 281 A L H 3< S+ 0 0 66 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.661 98.8 61.6 -65.1 -17.1 64.8 131.5 44.0 282 282 A D T << S+ 0 0 118 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.565 102.1 50.9 -86.4 -10.4 63.4 132.8 40.6 283 283 A T S < S+ 0 0 0 -3,-1.4 -114,-3.4 -4,-0.3 2,-0.2 0.397 86.7 119.3-105.8 0.9 66.9 133.1 39.1 284 284 A L E + H 0 168A 30 -3,-0.4 -116,-0.2 -4,-0.3 3,-0.1 -0.482 31.5 170.2 -84.2 136.7 68.2 129.6 40.0 285 285 A I E S+ 0 0 96 -118,-3.9 2,-0.4 1,-0.4 -117,-0.2 0.721 85.9 13.0-100.4 -38.5 69.4 126.8 37.7 286 286 A Y E S- H 0 167A 102 -119,-1.8 -119,-2.7 3,-0.0 -1,-0.4 -0.999 94.8 -59.7-141.2 138.0 70.8 124.8 40.6 287 287 A G E - 0 0 36 -2,-0.4 -121,-0.2 -121,-0.2 -3,-0.1 -0.490 22.7-123.4 115.2 173.8 70.2 125.1 44.3 288 288 A P E + 0 0 32 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.255 51.1 161.1 -91.9 128.9 70.0 125.8 46.9 289 289 A Y E - H 0 165A 53 -124,-1.6 -124,-3.0 -3,-0.1 2,-0.6 -0.916 23.9-159.2 -99.5 118.6 72.1 122.8 48.1 290 290 A I E - H 0 164A 11 -2,-0.6 -238,-2.7 -238,-0.5 2,-0.4 -0.873 9.2-167.3-111.5 117.5 73.3 123.5 51.6 291 291 A R E -EH 51 163A 32 -128,-2.5 -128,-3.1 -2,-0.6 2,-0.6 -0.779 18.0-137.8 -94.3 136.8 76.2 121.7 53.1 292 292 A I E -EH 50 162A 0 -242,-1.8 -243,-2.3 -2,-0.4 -242,-1.7 -0.863 32.7-178.1 -91.3 122.9 76.8 122.0 56.9 293 293 A I E -EH 48 161A 0 -132,-3.0 -132,-2.2 -2,-0.6 -245,-0.2 -0.928 23.1-134.4-128.1 153.8 80.6 122.4 57.4 294 294 A N E -E 47 0A 39 -247,-2.9 2,-2.3 -2,-0.3 -247,-1.4 -0.904 12.3-139.4-111.8 116.7 82.9 122.8 60.4 295 295 A P E +E 46 0A 0 0, 0.0 -138,-2.4 0, 0.0 -137,-0.3 -0.422 39.9 161.0 -71.8 76.4 85.7 125.5 60.5 296 296 A V E + 0 0 64 -2,-2.3 2,-0.5 -251,-0.6 -250,-0.2 0.963 59.2 19.0 -65.6 -64.6 88.2 123.2 62.1 297 297 A M E S+E 45 0A 63 -252,-0.7 -252,-2.7 -141,-0.1 2,-0.3 -0.961 77.8 156.7-115.2 131.9 91.6 124.8 61.5 298 298 A E E -E 44 0A 13 -2,-0.5 2,-0.5 -254,-0.2 -254,-0.2 -0.946 47.0-134.2-148.5 165.5 92.0 128.4 60.6 299 299 A G E > -E 43 0A 3 -256,-2.5 3,-2.2 -2,-0.3 -256,-0.5 -0.828 26.4-168.5-119.0 83.1 94.1 131.5 60.5 300 300 A T T > S+ 0 0 22 -2,-0.5 3,-1.3 1,-0.3 4,-0.3 0.545 72.7 82.3 -51.7 -12.3 91.6 133.9 61.8 301 301 A F T >> + 0 0 95 1,-0.3 4,-1.3 2,-0.2 3,-0.8 0.640 69.1 78.8 -73.4 -12.4 93.9 136.8 60.8 302 302 A W H <> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.3 -1,-0.3 0.817 92.1 56.0 -61.7 -25.2 92.6 136.7 57.2 303 303 A R H <> S+ 0 0 0 -3,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.752 96.0 61.7 -75.7 -27.6 89.7 138.5 58.8 304 304 A E H <4 S+ 0 0 119 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.851 108.7 44.9 -65.0 -34.4 92.0 141.2 60.1 305 305 A Y H >< S+ 0 0 35 -4,-1.3 3,-1.8 -264,-0.3 -2,-0.2 0.932 106.9 56.7 -73.8 -48.9 92.8 141.9 56.4 306 306 A L H 3< S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.815 111.4 46.2 -53.1 -32.2 89.2 141.8 55.2 307 307 A N T 3< 0 0 84 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.278 360.0 360.0-100.6 15.5 88.3 144.5 57.7 308 308 A E < 0 0 177 -3,-1.8 -3,-0.1 -306,-0.2 -4,-0.0 -0.528 360.0 360.0 -74.3 360.0 91.1 147.0 57.2