==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-SEP-05 2B24 . COMPND 2 MOLECULE: NAPHTHALENE DIOXYGENASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR L.GAKHAR,Z.A.MALIK,C.C.ALLEN,D.A.LIPSCOMB,M.J.LARKIN,S.RAMAS . 1815 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1226 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 409 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 2 0.1 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 . 174 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 0.9 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 3 5 2 3 3 3 6 0 4 3 5 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 6 12 3 15 8 0 3 1 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 6 0 3 3 0 0 1 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 1 A M 0 0 170 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 59.9 154.7 107.1 106.0 2 2 A L - 0 0 8 434,-0.0 31,-0.0 34,-0.0 2,-0.0 -0.925 360.0-127.0-100.4 148.0 153.2 105.2 108.9 3 3 A S > - 0 0 31 -2,-0.5 4,-1.2 1,-0.1 5,-0.1 -0.240 12.0-109.0 -80.1-174.4 150.7 107.9 109.5 4 4 A N H > S+ 0 0 108 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.850 116.6 48.5 -82.6 -35.4 150.3 109.4 113.0 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.893 113.1 46.2 -71.1 -41.3 146.9 107.8 113.7 6 6 A L H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.893 110.3 53.2 -69.7 -40.1 148.0 104.3 112.6 7 7 A R H X S+ 0 0 70 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.911 110.7 48.7 -57.4 -42.9 151.3 104.5 114.6 8 8 A Q H X S+ 0 0 131 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.853 113.5 44.7 -68.3 -38.5 149.3 105.4 117.7 9 9 A T H X S+ 0 0 39 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.732 112.1 52.3 -81.6 -22.1 146.8 102.6 117.3 10 10 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 112.8 45.8 -72.3 -42.4 149.5 100.1 116.6 11 11 A Q H X S+ 0 0 104 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.867 110.6 52.0 -66.8 -41.3 151.3 101.2 119.7 12 12 A K H X S+ 0 0 119 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.841 112.1 48.5 -61.7 -33.4 148.1 101.1 121.8 13 13 A G H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.914 103.7 56.6 -75.1 -44.8 147.6 97.6 120.5 14 14 A L H < S+ 0 0 47 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.804 111.4 47.3 -54.3 -32.0 151.2 96.4 121.3 15 15 A H H >X S+ 0 0 120 -4,-1.3 4,-0.9 -5,-0.1 3,-0.7 0.900 114.2 45.2 -72.4 -45.1 150.3 97.5 124.8 16 16 A D H 3<>S+ 0 0 6 -4,-1.7 5,-2.1 1,-0.2 6,-1.4 0.671 95.9 73.8 -78.2 -20.4 146.9 95.7 124.9 17 17 A V T 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.1 0.703 112.2 26.6 -68.0 -19.4 148.0 92.4 123.4 18 18 A N T <45S+ 0 0 86 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.580 131.7 35.0-115.5 -16.2 149.8 91.4 126.6 19 19 A S T <5S+ 0 0 42 -4,-0.9 -3,-0.2 3,-0.2 -2,-0.1 0.872 131.8 18.6-105.9 -60.1 147.8 93.4 129.2 20 20 A D T 5S- 0 0 70 -4,-0.4 -3,-0.2 -5,-0.2 -4,-0.1 0.672 95.5-130.9 -83.2 -22.8 144.1 93.6 128.3 21 21 A W < + 0 0 38 -5,-2.1 374,-2.2 1,-0.3 2,-0.3 0.863 68.8 110.6 63.9 42.4 144.5 90.6 125.9 22 22 A T E -A 394 0A 6 -6,-1.4 -1,-0.3 372,-0.2 372,-0.2 -0.845 54.0-146.0-129.3 171.3 142.7 92.5 123.0 23 23 A V E -A 393 0A 0 370,-1.9 370,-3.4 -2,-0.3 2,-0.1 -0.991 32.4 -96.7-140.3 141.4 144.0 93.9 119.7 24 24 A P E > -A 392 0A 11 0, 0.0 3,-0.9 0, 0.0 368,-0.3 -0.394 26.4-143.2 -60.7 133.2 142.7 97.0 117.8 25 25 A A G > S+ 0 0 2 366,-1.8 3,-1.6 1,-0.2 4,-0.5 0.627 87.5 84.2 -72.9 -14.4 140.2 96.0 115.1 26 26 A A G 3 S+ 0 0 12 363,-0.7 -1,-0.2 365,-0.4 7,-0.2 0.511 75.2 75.1 -67.3 -3.2 141.5 98.6 112.7 27 27 A I G < S+ 0 0 3 -3,-0.9 -1,-0.3 1,-0.1 3,-0.2 0.459 86.4 60.2 -91.7 -2.1 144.2 96.1 111.6 28 28 A I S < S+ 0 0 6 -3,-1.6 2,-0.3 1,-0.2 176,-0.2 0.922 114.2 17.2 -93.9 -50.5 141.9 93.9 109.5 29 29 A N S S+ 0 0 19 354,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.555 83.1 126.3-129.7 69.5 140.4 96.0 106.7 30 30 A D > - 0 0 31 -2,-0.3 4,-1.7 -3,-0.2 5,-0.1 -0.986 49.1-150.5-123.2 133.1 142.4 99.2 106.2 31 31 A P H > S+ 0 0 76 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.823 104.7 49.4 -63.2 -32.2 143.9 100.4 102.9 32 32 A E H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.931 108.8 49.6 -73.5 -51.1 146.6 102.2 105.0 33 33 A V H > S+ 0 0 2 -7,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 110.4 54.3 -50.8 -40.9 147.4 99.1 107.1 34 34 A H H X S+ 0 0 8 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.922 107.4 46.2 -66.5 -45.2 147.7 97.1 103.9 35 35 A D H X S+ 0 0 92 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.883 114.9 47.0 -66.2 -39.7 150.2 99.4 102.2 36 36 A V H X S+ 0 0 15 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.882 109.8 56.0 -64.2 -38.9 152.4 99.6 105.3 37 37 A E H X>S+ 0 0 0 -4,-2.1 5,-2.1 -5,-0.3 4,-1.2 0.733 96.5 65.6 -66.1 -25.2 152.0 95.8 105.5 38 38 A R H <5S+ 0 0 54 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.952 117.5 22.8 -63.8 -50.8 153.4 95.4 102.0 39 39 A E H X5S+ 0 0 88 -4,-1.1 4,-0.8 -3,-0.2 -2,-0.2 0.954 126.7 47.7 -77.7 -54.6 156.8 96.7 103.0 40 40 A R H <5S+ 0 0 37 -4,-2.9 -3,-0.2 -5,-0.2 5,-0.2 0.849 129.5 14.0 -62.9 -42.3 156.9 96.1 106.7 41 41 A I T >X5S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.3 3,-0.9 0.889 136.9 31.4 -96.0 -60.7 155.7 92.4 106.8 42 42 A F T 34> -B 154 0B 8 -2,-0.3 3,-2.4 103,-0.2 4,-0.5 -0.956 30.4-122.7-112.1 141.8 157.7 72.9 97.6 52 52 A E G >4 S+ 0 0 56 101,-2.9 3,-0.6 -2,-0.4 102,-0.1 0.691 109.4 63.5 -52.1 -24.7 160.8 71.3 96.2 53 53 A S G 34 S+ 0 0 23 1,-0.2 -1,-0.3 100,-0.1 136,-0.0 0.476 89.3 67.2 -85.8 -4.8 158.8 68.3 95.0 54 54 A E G <4 S+ 0 0 30 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.718 110.3 37.2 -75.6 -28.1 156.8 70.6 92.6 55 55 A I S << S+ 0 0 0 -3,-0.6 -1,-0.2 -4,-0.5 4,-0.1 -0.623 73.0 147.0-124.2 73.0 160.1 71.0 90.7 56 56 A P + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.979 58.2 46.0 -74.3 -57.1 161.9 67.6 90.8 57 57 A E S > S- 0 0 136 1,-0.1 3,-0.9 2,-0.0 2,-0.4 -0.217 100.6 -75.8 -85.7 176.5 163.8 67.4 87.4 58 58 A R T 3 S+ 0 0 150 1,-0.2 18,-0.2 19,-0.1 19,-0.1 -0.566 115.5 21.0 -77.1 126.4 165.9 70.1 85.7 59 59 A G T 3 S+ 0 0 1 16,-2.9 44,-1.8 -2,-0.4 -1,-0.2 -0.027 84.8 134.2 109.3 -28.0 164.0 72.8 84.0 60 60 A D E < +D 102 0C 30 -3,-0.9 15,-1.7 42,-0.3 -1,-0.4 -0.284 31.3 174.4 -57.0 129.9 160.8 72.4 86.0 61 61 A Y E -DE 101 74C 15 40,-2.5 40,-1.6 13,-0.2 2,-0.3 -0.960 24.1-161.8-137.5 157.0 159.4 75.7 87.2 62 62 A V E -DE 100 73C 3 11,-2.5 11,-3.4 -2,-0.3 2,-0.7 -0.980 22.5-130.1-130.2 148.1 156.5 77.2 89.0 63 63 A V E + E 0 72C 2 36,-2.7 9,-0.2 -2,-0.3 2,-0.2 -0.879 40.9 163.5-100.3 109.6 155.4 80.9 89.0 64 64 A R E - E 0 71C 5 7,-2.6 7,-3.7 -2,-0.7 2,-0.3 -0.681 21.3-127.1-124.7 174.5 154.9 82.1 92.6 65 65 A Y E - E 0 70C 11 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.833 21.9-161.0-127.5 150.9 154.6 85.4 94.5 66 66 A I E > S- E 0 69C 1 3,-1.7 3,-2.3 -2,-0.3 -17,-0.0 -0.943 86.4 -58.1-118.4 110.2 155.7 87.7 97.4 67 67 A S T 3 S- 0 0 2 -2,-0.4 925,-0.1 1,-0.3 -1,-0.1 -0.338 123.2 -13.3 48.2-124.5 152.6 90.0 97.4 68 68 A E T 3 S+ 0 0 56 -3,-0.1 2,-0.4 923,-0.1 -1,-0.3 0.580 113.5 105.5 -78.6 -10.7 152.4 91.6 93.9 69 69 A D E < -E 66 0C 0 -3,-2.3 -3,-1.7 922,-0.1 2,-0.5 -0.593 61.8-147.0 -80.4 124.0 155.9 90.4 92.9 70 70 A Q E -E 65 0C 5 -2,-0.4 16,-3.2 919,-0.2 2,-0.4 -0.796 18.5-176.0 -96.8 125.2 156.0 87.5 90.5 71 71 A F E -EF 64 85C 0 -7,-3.7 -7,-2.6 -2,-0.5 2,-0.5 -0.974 25.2-137.1-126.5 127.4 158.9 85.1 90.8 72 72 A I E -EF 63 84C 0 12,-2.0 12,-1.6 -2,-0.4 2,-0.6 -0.724 21.2-164.4 -72.2 121.2 159.9 82.1 88.7 73 73 A V E +EF 62 83C 0 -11,-3.4 -11,-2.5 -2,-0.5 2,-0.3 -0.964 29.7 147.6-108.6 113.5 160.8 79.4 91.2 74 74 A C E -EF 61 82C 0 8,-2.3 8,-3.2 -2,-0.6 2,-0.7 -0.893 54.6-113.4-145.1 170.4 162.7 76.7 89.3 75 75 A R E - F 0 81C 42 -15,-1.7 -16,-2.9 -2,-0.3 6,-0.2 -0.884 42.4-144.0-110.7 98.5 165.5 74.0 89.2 76 76 A D > - 0 0 3 4,-1.6 3,-2.6 -2,-0.7 -16,-0.1 0.037 30.3 -92.7 -65.7 171.7 168.1 75.3 86.7 77 77 A E T 3 S+ 0 0 105 1,-0.3 -1,-0.1 27,-0.2 -19,-0.1 0.573 124.7 59.8 -67.5 -5.3 170.1 73.0 84.4 78 78 A G T 3 S- 0 0 57 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.479 119.0-108.4 -94.6 -7.2 172.9 72.7 87.0 79 79 A G S < S+ 0 0 19 -3,-2.6 -2,-0.1 1,-0.3 2,-0.1 0.225 76.9 123.0 104.6 -13.1 170.5 71.2 89.5 80 80 A E - 0 0 139 1,-0.1 -4,-1.6 -5,-0.1 2,-0.5 -0.344 65.7-105.2 -85.6 161.9 170.2 74.1 92.0 81 81 A I E -F 75 0C 29 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.749 39.6-174.0 -88.1 129.1 167.0 76.0 93.1 82 82 A R E -F 74 0C 104 -8,-3.2 -8,-2.3 -2,-0.5 2,-0.3 -0.909 19.7-163.5-121.0 149.8 166.6 79.5 91.6 83 83 A G E -F 73 0C 7 -2,-0.3 62,-2.9 -10,-0.2 2,-0.2 -0.767 20.5-179.6-131.9 88.4 164.1 82.2 92.3 84 84 A H E -FG 72 144C 5 -12,-1.6 -12,-2.0 -2,-0.3 2,-0.2 -0.598 33.0-113.6 -86.1 147.5 164.2 84.7 89.4 85 85 A L E -F 71 0C 1 58,-2.1 2,-0.9 -14,-0.2 -14,-0.3 -0.617 28.3-127.0 -75.3 141.8 162.0 87.8 89.3 86 86 A N S S+ 0 0 0 -16,-3.2 2,-0.4 -2,-0.2 10,-0.2 -0.248 77.2 98.8 -89.2 47.8 159.6 87.4 86.4 87 87 A A S S- 0 0 3 -2,-0.9 56,-0.4 7,-0.2 7,-0.2 -0.967 73.6-120.8-138.8 117.4 160.5 90.7 84.7 88 88 A C - 0 0 9 5,-3.0 4,-0.2 -2,-0.4 53,-0.1 -0.027 15.7-130.7 -49.4 156.5 162.9 91.1 81.8 89 89 A R S S+ 0 0 30 51,-0.2 912,-0.7 2,-0.1 -1,-0.1 0.764 100.3 57.5 -85.0 -25.6 165.9 93.3 82.3 90 90 A H S S- 0 0 1 910,-0.2 911,-2.9 50,-0.1 -1,-0.1 0.998 136.3 -18.8 -64.9 -77.3 165.2 95.2 79.0 91 91 A R S S- 0 0 3 909,-0.2 -2,-0.1 911,-0.0 909,-0.1 0.248 94.1-103.1-121.6 8.4 161.7 96.6 79.4 92 92 A G + 0 0 3 1,-0.2 897,-0.2 -4,-0.2 898,-0.2 0.805 60.8 158.7 80.9 31.6 160.3 94.4 82.2 93 93 A M - 0 0 1 -6,-0.1 -5,-3.0 1,-0.1 2,-0.4 -0.499 54.5 -90.5 -81.1 155.5 158.1 92.0 80.3 94 94 A Q - 0 0 18 888,-0.2 -7,-0.2 -7,-0.2 3,-0.2 -0.552 32.5-162.9 -62.7 118.3 157.0 88.6 81.8 95 95 A V S S+ 0 0 9 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.745 83.0 32.7 -75.7 -22.8 159.7 86.3 80.6 96 96 A C + 0 0 8 -10,-0.2 -1,-0.3 10,-0.1 12,-0.1 -0.981 59.0 178.8-138.0 125.0 157.3 83.4 81.5 97 97 A R + 0 0 32 -2,-0.4 2,-0.1 -3,-0.2 -1,-0.1 0.313 59.3 85.8-109.5 5.2 153.5 83.6 81.2 98 98 A A - 0 0 9 1,-0.1 388,-0.2 1070,-0.0 3,-0.1 -0.385 69.9-139.9 -87.9 177.6 152.6 80.1 82.3 99 99 A E S S+ 0 0 10 386,-1.8 -36,-2.7 1,-0.3 2,-0.3 0.600 83.6 15.1-110.2 -22.9 152.1 79.2 85.9 100 100 A M E S+D 62 0C 38 385,-0.9 -1,-0.3 -38,-0.2 2,-0.3 -0.954 78.6 101.1-143.4 160.4 153.8 75.8 85.7 101 101 A G E -D 61 0C 11 -40,-1.6 -40,-2.5 -2,-0.3 2,-0.3 -0.987 54.7 -88.2 162.0-167.8 156.1 74.0 83.3 102 102 A N E +D 60 0C 80 -2,-0.3 2,-0.3 -42,-0.3 -42,-0.3 -0.908 44.9 150.7-143.4 117.8 159.4 72.7 82.2 103 103 A T - 0 0 41 -44,-1.8 3,-0.1 -2,-0.3 -2,-0.0 -0.985 38.5-151.7-143.6 149.6 161.8 74.8 80.1 104 104 A S S S+ 0 0 59 -2,-0.3 13,-1.5 1,-0.1 2,-0.2 0.900 87.3 25.3 -81.5 -47.8 165.5 75.0 79.6 105 105 A H E -H 116 0D 68 11,-0.2 2,-0.4 12,-0.1 11,-0.2 -0.707 65.5-139.5-117.5 164.4 165.4 78.7 78.5 106 106 A F E -H 115 0D 7 9,-3.2 9,-1.3 -2,-0.2 2,-0.6 -0.822 19.2-166.8-124.8 89.6 163.2 81.7 79.0 107 107 A R E -H 114 0D 125 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.676 19.5-133.9 -78.4 116.8 162.8 83.7 75.7 108 108 A C > - 0 0 2 5,-1.9 4,-0.5 -2,-0.6 -13,-0.1 -0.557 8.7-144.7 -71.4 127.8 161.2 87.1 76.4 109 109 A P T 4 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 1019,-0.1 0.789 85.4 64.5 -65.9 -31.8 158.5 87.8 73.8 110 110 A Y T 4 S- 0 0 0 716,-0.1 717,-1.2 1,-0.1 716,-0.3 0.986 128.5 -10.6 -60.1 -73.6 159.0 91.5 73.4 111 111 A H T 4 S- 0 0 2 715,-0.2 715,-0.1 714,-0.1 714,-0.1 0.734 96.7-105.3-105.1 -26.6 162.5 91.9 72.0 112 112 A G < + 0 0 0 -4,-0.5 2,-0.1 1,-0.2 11,-0.1 0.394 52.4 163.8 122.0 -0.8 163.9 88.4 72.2 113 113 A W - 0 0 1 -6,-0.1 -5,-1.9 11,-0.1 2,-0.4 -0.293 28.6-149.5 -52.8 112.8 166.4 88.5 75.1 114 114 A T E -HI 107 123D 17 9,-2.5 8,-1.9 -7,-0.2 9,-1.6 -0.768 13.9-169.2 -92.8 131.7 166.9 84.8 75.9 115 115 A Y E -HI 106 121D 0 -9,-1.3 -9,-3.2 -2,-0.4 6,-0.2 -0.886 20.1-126.2-114.8 147.1 167.7 83.7 79.5 116 116 A S E > -H 105 0D 8 4,-1.8 3,-1.1 -2,-0.3 -11,-0.2 -0.422 30.8-113.7 -74.5 166.2 168.8 80.4 80.8 117 117 A N T 3 S+ 0 0 1 -13,-1.5 -41,-0.2 1,-0.2 -12,-0.1 0.578 118.5 74.2 -73.4 -7.8 166.7 78.9 83.6 118 118 A T T 3 S- 0 0 32 -14,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.704 114.5-116.3 -72.6 -23.6 170.0 79.6 85.3 119 119 A G S < S+ 0 0 6 -3,-1.1 23,-1.6 1,-0.3 2,-0.2 -0.100 75.1 117.2 115.8 -33.5 169.3 83.3 85.3 120 120 A S S S- 0 0 50 21,-0.2 -4,-1.8 -5,-0.1 2,-0.4 -0.484 70.5-113.9 -80.8 138.4 172.1 84.6 83.1 121 121 A L E +I 115 0D 8 16,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.557 37.8 173.5 -70.5 118.7 171.3 86.4 79.8 122 122 A V E + 0 0 76 -8,-1.9 2,-0.4 -2,-0.4 -7,-0.2 0.732 58.6 28.0-101.6 -30.1 172.7 84.1 77.1 123 123 A G E -I 114 0D 24 -9,-1.6 -9,-2.5 14,-0.1 -1,-0.2 -0.931 48.2-174.3-148.6 121.9 171.5 85.8 73.9 124 124 A V - 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R 0 336E 0 -25,-2.7 10,-0.2 -2,-0.5 -123,-0.1 -0.770 26.6-161.9 -96.9 82.5 146.9 83.1 102.4 327 327 A H E - R 0 335E 8 8,-1.9 8,-2.4 -2,-1.1 2,-0.6 -0.565 13.0-130.4 -74.5 124.6 148.1 85.3 99.5 328 328 A P E + R 0 334E 0 0, 0.0 6,-0.2 0, 0.0 -126,-0.1 -0.660 35.0 164.9 -79.3 116.8 147.2 89.0 100.1 329 329 A L E - 0 0 57 4,-1.7 5,-0.2 -2,-0.6 -127,-0.1 0.741 67.3 -34.4 -97.3 -33.8 145.5 90.6 97.1 330 330 A G E > S- R 0 333E 9 3,-1.8 3,-1.1 -129,-0.1 -1,-0.3 -0.919 79.2 -67.2-166.1-172.2 144.2 93.7 98.9 331 331 A P T 3 S+ 0 0 30 0, 0.0 -301,-0.2 0, 0.0 -129,-0.1 0.826 134.6 24.0 -57.3 -34.4 142.8 95.0 102.2 332 332 A D T 3 S+ 0 0 67 -131,-0.1 2,-0.3 -130,-0.1 -130,-0.2 -0.247 116.1 70.9-128.9 39.0 139.7 92.8 101.8 333 333 A K E < + R 0 330E 90 -3,-1.1 -3,-1.8 -133,-0.2 -4,-1.7 -0.968 45.7 171.3-158.3 135.4 140.8 90.1 99.4 334 334 A M E -KR 199 328E 0 -135,-2.4 -135,-1.0 -2,-0.3 2,-0.5 -0.906 25.3-136.1-134.6 169.4 143.1 87.1 99.5 335 335 A E E -KR 198 327E 10 -8,-2.4 -8,-1.9 -2,-0.3 2,-0.3 -0.956 21.4-142.9-123.9 110.4 143.8 84.2 97.2 336 336 A V E -KR 197 326E 0 -139,-1.7 -139,-1.8 -2,-0.5 2,-0.4 -0.571 14.2-172.0 -71.7 132.3 144.0 80.8 98.9 337 337 A M E -KR 196 325E 0 -12,-2.1 -12,-1.7 -2,-0.3 2,-0.7 -0.786 13.5-173.1-118.2 85.8 146.7 78.5 97.5 338 338 A S E -KR 195 324E 1 -143,-2.1 -143,-2.0 -2,-0.4 -14,-0.3 -0.730 1.8-166.0 -94.8 112.6 146.0 75.3 99.2 339 339 A F - 0 0 1 -16,-3.6 -16,-0.5 -2,-0.7 2,-0.4 -0.498 9.7-149.7 -88.7 155.3 148.5 72.5 98.7 340 340 A F - 0 0 3 -18,-0.2 -149,-2.3 -149,-0.2 2,-0.3 -0.973 16.9-171.9-126.4 120.6 148.1 68.8 99.5 341 341 A L E +JQ 190 321E 2 -20,-1.1 -20,-0.9 -2,-0.4 2,-0.3 -0.830 7.5 175.7-114.0 146.2 151.2 66.7 100.4 342 342 A V E -J 189 0E 3 -153,-2.0 -153,-2.1 -2,-0.3 2,-0.1 -0.989 41.5 -91.7-145.2 148.2 151.7 63.0 101.0 343 343 A E E > -J 188 0E 4 -2,-0.3 3,-1.3 -155,-0.2 -155,-0.2 -0.401 32.7-135.2 -61.0 132.8 154.7 60.9 101.7 344 344 A K T 3 S+ 0 0 83 -157,-2.3 -1,-0.1 1,-0.3 -156,-0.1 0.904 102.3 46.6 -56.7 -46.6 156.3 59.6 98.4 345 345 A D T 3 S+ 0 0 89 -158,-0.3 -1,-0.3 -74,-0.0 3,-0.1 0.344 85.2 117.5 -84.2 3.9 156.8 56.0 99.6 346 346 A A S < S- 0 0 6 -3,-1.3 5,-0.1 1,-0.1 -4,-0.0 -0.433 78.6 -92.1 -68.8 147.2 153.2 55.7 101.1 347 347 A P > - 0 0 30 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.231 29.1-119.6 -59.1 151.3 151.0 53.1 99.5 348 348 A D H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 114.3 58.9 -58.9 -39.8 148.8 54.2 96.6 349 349 A W H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 110.6 41.1 -56.0 -42.3 145.7 53.2 98.6 350 350 A F H > S+ 0 0 7 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.845 111.5 55.9 -76.1 -35.3 146.7 55.6 101.4 351 351 A K H X S+ 0 0 44 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.891 114.0 41.3 -59.5 -40.5 147.7 58.3 98.9 352 352 A D H X S+ 0 0 67 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.876 117.1 46.5 -75.2 -41.5 144.3 58.1 97.4 353 353 A E H X S+ 0 0 58 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.877 111.5 51.5 -70.1 -38.7 142.4 57.8 100.7 354 354 A S H X S+ 0 0 2 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.823 108.2 53.3 -66.6 -33.0 144.4 60.7 102.3 355 355 A Y H X S+ 0 0 17 -4,-1.0 4,-2.6 -5,-0.2 -1,-0.2 0.843 107.0 50.6 -71.8 -35.7 143.5 62.9 99.3 356 356 A K H X S+ 0 0 34 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.717 106.9 54.5 -76.6 -21.8 139.8 62.3 99.6 357 357 A S H X S+ 0 0 0 -4,-1.1 4,-0.6 2,-0.2 5,-0.3 0.850 112.3 44.7 -74.8 -36.2 139.9 63.2 103.3 358 358 A Y H >X S+ 0 0 0 -4,-1.3 4,-2.9 3,-0.2 3,-0.8 0.972 114.2 48.6 -66.9 -54.9 141.5 66.5 102.4 359 359 A L H 3< S+ 0 0 1 -4,-2.6 6,-0.2 1,-0.2 -2,-0.2 0.890 112.5 44.6 -52.3 -51.2 139.2 67.2 99.5 360 360 A R H 3< S+ 0 0 2 -4,-1.5 7,-1.7 6,-0.2 -1,-0.2 0.621 127.0 29.8 -80.5 -11.6 135.9 66.6 101.2 361 361 A T H << S+ 0 0 0 -3,-0.8 7,-2.2 -4,-0.6 8,-1.8 0.792 123.9 23.3-109.9 -53.6 136.8 68.5 104.4 362 362 A F S < S+ 0 0 13 -4,-2.9 3,-0.3 -5,-0.3 -1,-0.2 -0.496 90.3 50.9-110.5 178.8 139.3 71.2 103.4 363 363 A G S > S- 0 0 1 1,-0.2 3,-1.0 -2,-0.2 137,-0.1 -0.380 105.9 -35.3 89.8-169.1 140.0 73.2 100.3 364 364 A I T 3 S+ 0 0 0 1,-0.2 238,-1.8 -26,-0.1 -1,-0.2 0.873 141.6 25.6 -57.8 -45.0 137.7 75.0 97.9 365 365 A S T 3 S+ 0 0 1 135,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.081 90.8 134.0-108.7 18.8 134.7 72.6 98.1 366 366 A G <> - 0 0 0 -3,-1.0 4,-0.7 1,-0.1 -5,-0.3 -0.255 60.2-131.5 -71.7 159.8 135.4 71.2 101.6 367 367 A G T 4 S+ 0 0 1 -7,-1.7 4,-0.2 2,-0.1 -6,-0.2 0.672 107.8 37.7 -81.9 -21.9 132.6 70.8 104.2 368 368 A F T >> S+ 0 0 8 -7,-2.2 3,-1.3 2,-0.1 4,-1.2 0.906 117.8 43.9 -88.2 -61.2 134.9 72.4 106.8 369 369 A E H 3> S+ 0 0 2 -8,-1.8 4,-2.1 1,-0.3 -2,-0.1 0.684 102.3 66.0 -67.9 -18.9 136.8 75.1 104.9 370 370 A Q H 3< S+ 0 0 6 -4,-0.7 4,-0.3 -9,-0.3 -1,-0.3 0.818 105.1 45.6 -72.3 -27.2 133.8 76.4 102.9 371 371 A D H <> S+ 0 0 0 -3,-1.3 4,-1.3 -4,-0.2 -1,-0.2 0.749 109.1 56.2 -80.3 -30.7 132.3 77.7 106.2 372 372 A D H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 3,-0.2 0.916 105.9 50.9 -63.6 -42.5 135.6 79.1 107.3 373 373 A A H X S+ 0 0 1 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.673 108.6 52.3 -70.4 -17.7 135.7 81.2 104.1 374 374 A E H > S+ 0 0 3 -4,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.786 110.6 46.9 -85.7 -32.8 132.2 82.5 104.8 375 375 A N H >X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.2 3,-0.5 0.928 114.0 46.1 -73.1 -47.7 133.1 83.6 108.3 376 376 A W H 3X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -174,-0.3 0.876 110.9 53.3 -60.0 -40.5 136.4 85.3 107.3 377 377 A R H 3< S+ 0 0 24 -4,-0.9 4,-0.5 -5,-0.2 -1,-0.2 0.686 111.7 45.9 -73.7 -18.7 134.7 87.1 104.3 378 378 A S H 4 S+ 0 0 81 -4,-0.5 3,-0.9 1,-0.2 -1,-0.2 0.970 115.0 34.6 -66.1 -54.9 132.9 93.2 105.4 382 382 A V H >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.3 902,-0.2 0.780 108.5 66.6 -73.8 -28.4 131.8 94.7 108.7 383 383 A M T 3< S+ 0 0 8 -4,-2.2 -354,-0.6 1,-0.2 -1,-0.3 0.154 86.6 77.8 -79.3 18.9 135.4 95.5 109.9 384 384 A G T < S+ 0 0 20 -3,-0.9 2,-0.3 898,-0.2 -1,-0.2 0.220 74.1 86.5-114.7 12.0 135.6 98.0 107.0 385 385 A G S <> S- 0 0 0 -3,-1.0 4,-1.8 897,-0.1 3,-0.3 -0.784 81.4-118.4-110.5 160.4 133.6 100.8 108.5 386 386 A Q H > S+ 0 0 43 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.829 109.9 51.7 -70.2 -36.5 134.9 103.5 110.8 387 387 A F H > S+ 0 0 26 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.800 112.7 48.5 -71.7 -25.7 132.9 102.9 113.9 388 388 A A H >4 S+ 0 0 1 -3,-0.3 3,-1.0 -6,-0.2 -2,-0.2 0.872 103.9 56.8 -79.4 -40.3 134.0 99.2 113.8 389 389 A K H 3< S+ 0 0 47 -4,-1.8 -363,-0.7 1,-0.3 -1,-0.2 0.588 99.3 65.4 -68.2 -11.2 137.7 99.9 113.3 390 390 A T H 3< S+ 0 0 102 -4,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 0.827 95.7 68.8 -74.1 -39.6 137.3 101.9 116.6 391 391 A G S << S- 0 0 5 -3,-1.0 -366,-1.8 -4,-0.5 -365,-0.4 0.327 80.1-114.9 -69.1-159.3 136.6 98.7 118.5 392 392 A E E -A 24 0A 58 -368,-0.3 2,-0.4 -367,-0.2 914,-0.1 -0.996 10.1-118.3-149.4 147.8 138.8 95.8 119.4 393 393 A L E -A 23 0A 5 -370,-3.4 -370,-1.9 -2,-0.3 2,-0.6 -0.713 35.0-129.2 -85.4 136.8 139.2 92.0 118.9 394 394 A N E +A 22 0A 0 910,-2.6 -372,-0.2 909,-0.7 3,-0.1 -0.775 36.4 162.7 -98.7 119.1 139.0 90.0 122.0 395 395 A Y + 0 0 3 -374,-2.2 26,-0.1 -2,-0.6 -373,-0.1 -0.386 32.7 125.4-124.5 52.0 141.8 87.5 122.7 396 396 A Q > + 0 0 29 2,-0.1 3,-1.6 24,-0.1 2,-0.6 0.140 24.2 138.0-101.4 18.6 141.1 86.9 126.4 397 397 A M T 3 S+ 0 0 2 1,-0.3 24,-0.9 -376,-0.1 948,-0.1 -0.546 78.8 8.9 -77.0 114.7 140.8 83.1 126.5 398 398 A G T >> S+ 0 0 1 -2,-0.6 4,-1.6 1,-0.3 3,-1.4 0.302 80.1 165.6 101.8 -6.6 142.6 81.8 129.5 399 399 A R T <4 S+ 0 0 120 -3,-1.6 -1,-0.3 1,-0.3 -3,-0.1 -0.215 77.7 9.4 -50.0 117.8 143.3 85.2 131.2 400 400 A G T 34 S+ 0 0 64 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.859 128.0 61.9 72.0 40.3 144.3 84.2 134.7 401 401 A V T <4 + 0 0 80 -3,-1.4 2,-1.0 -4,-0.1 -2,-0.2 0.304 63.9 110.7-156.6 -24.1 144.6 80.5 134.0 402 402 A L < + 0 0 27 -4,-1.6 -2,-0.1 13,-0.1 -1,-0.1 -0.495 39.7 173.3 -70.4 100.4 147.3 80.0 131.4 403 403 A E - 0 0 155 -2,-1.0 -1,-0.0 -3,-0.1 0, 0.0 -0.950 35.5-115.6-110.5 115.7 150.2 78.3 133.2 404 404 A P - 0 0 68 0, 0.0 11,-0.2 0, 0.0 9,-0.1 -0.152 38.1-100.7 -48.1 141.0 153.1 77.1 130.9 405 405 A D > - 0 0 39 9,-1.8 3,-0.6 1,-0.2 9,-0.2 -0.558 30.6-172.4 -74.1 115.5 153.5 73.3 130.8 406 406 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.743 88.4 53.1 -72.2 -24.4 156.4 72.1 133.1 407 407 A N T 3 S+ 0 0 132 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.400 79.1 119.2 -93.8 -1.2 155.9 68.6 131.6 408 408 A W < - 0 0 55 -3,-0.6 6,-0.1 1,-0.1 -167,-0.0 -0.489 48.7-159.0 -74.0 139.2 156.2 69.6 127.9 409 409 A T + 0 0 72 -2,-0.2 -1,-0.1 -126,-0.1 -122,-0.1 0.101 63.5 70.4-110.6 16.1 159.1 68.0 126.1 410 410 A G S S- 0 0 16 2,-0.1 4,-0.1 1,-0.1 -2,-0.0 -0.907 83.0 -91.6-132.5 165.0 159.5 70.4 123.2 411 411 A P S S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -167,-0.1 -0.070 77.3 44.6 -74.0 170.3 160.7 73.9 122.7 412 412 A G S S- 0 0 39 -169,-0.1 2,-0.8 2,-0.1 -167,-0.2 -0.173 101.1 -48.1 86.5 176.6 158.7 77.2 122.7 413 413 A E B -S 244 0F 89 -169,-2.3 -169,-1.0 -9,-0.1 2,-0.3 -0.766 65.9-174.3 -90.9 111.2 156.0 78.4 125.1 414 414 A A - 0 0 7 -2,-0.8 -9,-1.8 -171,-0.2 -171,-0.2 -0.777 16.3-161.3-109.4 151.0 153.5 75.6 125.6 415 415 A Y - 0 0 17 -2,-0.3 -173,-2.3 -11,-0.2 2,-0.8 -0.956 28.8-120.2-126.0 149.8 150.2 75.4 127.4 416 416 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 -176,-0.2 -0.126 89.2 40.3 -90.2 40.9 148.6 72.1 128.4 417 417 A L S S- 0 0 28 -2,-0.8 -179,-0.2 -178,-0.1 -2,-0.2 -0.930 72.2-127.5-168.2 164.5 145.2 72.5 126.5 418 418 A D S S+ 0 0 1 -181,-1.7 2,-1.6 -2,-0.3 -204,-0.5 0.501 84.1 91.9-106.9 -4.0 144.1 73.7 123.0 419 419 A Y + 0 0 1 924,-0.1 2,-0.3 -182,-0.1 -1,-0.1 -0.633 68.4 105.2 -84.2 78.2 141.4 76.2 124.1 420 420 A A - 0 0 2 -2,-1.6 -206,-0.2 -208,-0.5 -205,-0.2 -0.966 57.5-155.1-150.9 163.0 143.7 79.2 124.2 421 421 A E > + 0 0 1 -24,-0.9 4,-1.5 -2,-0.3 5,-0.1 0.024 65.5 107.4-132.5 26.2 144.5 82.3 122.2 422 422 A A H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.700 80.1 55.4 -77.1 -23.2 148.1 82.9 123.3 423 423 A N H > S+ 0 0 0 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.873 108.8 46.0 -69.9 -44.3 149.2 81.7 119.8 424 424 A Q H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.788 112.2 51.1 -71.7 -33.8 147.1 84.3 118.0 425 425 A R H X S+ 0 0 16 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.920 111.2 47.0 -69.9 -45.6 148.2 87.1 120.3 426 426 A N H X S+ 0 0 19 -4,-1.5 4,-2.4 2,-0.2 5,-0.3 0.878 109.4 55.8 -60.8 -39.8 151.8 86.3 119.8 427 427 A F H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.898 112.4 41.5 -59.1 -43.4 151.2 86.1 116.0 428 428 A L H X S+ 0 0 4 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.844 109.0 59.9 -76.6 -33.2 149.7 89.6 116.1 429 429 A E H X S+ 0 0 41 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.944 109.4 42.2 -56.9 -50.8 152.4 90.9 118.5 430 430 A Y H X S+ 0 0 34 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.840 112.0 57.2 -65.3 -32.7 155.2 90.1 115.9 431 431 A W H X S+ 0 0 0 -4,-1.2 4,-1.0 -5,-0.3 -2,-0.2 0.964 111.8 40.7 -59.1 -50.1 152.9 91.4 113.3 432 432 A M H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 5,-0.2 0.882 110.9 56.6 -68.4 -41.4 152.8 94.8 115.2 433 433 A Q H X S+ 0 0 91 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.937 110.6 44.4 -53.6 -51.2 156.5 94.8 116.0 434 434 A L H < S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.726 110.0 58.9 -63.4 -26.4 157.4 94.4 112.3 435 435 A M H < S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.902 111.1 37.4 -71.6 -43.5 154.8 97.1 111.5 436 436 A L H < S+ 0 0 30 -4,-2.0 2,-0.2 -3,-0.2 -2,-0.2 0.761 83.4 121.8 -81.7 -30.1 156.3 99.9 113.7 437 437 A A < - 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