==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-SEP-05 2C18 . COMPND 2 MOLECULE: DELTA-AMINOLEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.FRERE,M.NENTWICH,S.GACOND,D.W.HEINZ,R.NEIER, . 661 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.8 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 . 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 . 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 . 45 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 0 0 4 0 2 0 4 8 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 5 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A F 0 0 99 0, 0.0 3,-0.0 0, 0.0 567,-0.0 0.000 360.0 360.0 360.0 123.4 127.7 56.5 -16.9 2 4 A T - 0 0 108 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.968 360.0-153.5-117.7 120.7 128.6 58.3 -20.1 3 5 A P > - 0 0 53 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.658 24.2-144.3 -60.5 -18.0 127.9 56.3 -23.3 4 6 A A T 3 - 0 0 73 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.753 52.5 -78.4 56.0 27.8 130.7 58.4 -25.1 5 7 A N T 3 S+ 0 0 163 1,-0.2 -1,-0.2 570,-0.0 2,-0.2 0.755 73.4 175.1 57.6 28.5 128.7 58.3 -28.4 6 8 A R < + 0 0 105 -3,-1.4 2,-0.4 4,-0.1 -1,-0.2 -0.483 7.0 177.9 -68.6 136.2 129.7 54.8 -29.1 7 9 A A >> - 0 0 51 -2,-0.2 4,-2.1 572,-0.0 3,-1.0 -0.993 25.4 -78.6-147.4 134.6 127.9 53.6 -32.3 8 10 A Y T 34 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 505,-0.0 -0.430 107.7 24.4 -57.7 142.1 127.8 50.5 -34.5 9 11 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.989 126.3 49.2 -89.2 0.1 129.7 49.7 -36.7 10 12 A Y T <4 S+ 0 0 199 -3,-1.0 2,-0.6 1,-0.2 -2,-0.3 0.925 119.4 44.1 -62.4 -44.7 132.6 51.6 -35.1 11 13 A T < + 0 0 31 -4,-2.1 2,-0.4 4,-0.0 -1,-0.2 -0.925 68.7 169.9 -98.7 118.9 131.7 50.0 -31.8 12 14 A R > - 0 0 57 -2,-0.6 3,-1.7 -4,-0.1 4,-0.4 -0.963 19.4-161.1-125.1 108.6 130.9 46.2 -32.1 13 15 A L T 3> S+ 0 0 19 -2,-0.4 4,-0.5 1,-0.3 3,-0.2 0.692 85.0 71.1 -69.6 -14.7 130.6 44.7 -28.6 14 16 A R H 3> S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.673 78.7 78.4 -69.4 -18.7 131.2 41.2 -30.1 15 17 A R H X4 S+ 0 0 128 -3,-1.7 3,-1.5 1,-0.2 4,-0.4 0.967 95.5 44.5 -59.7 -49.2 134.9 42.0 -30.8 16 18 A N H 34 S+ 0 0 83 -4,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.767 113.4 53.3 -62.3 -25.7 136.0 41.5 -27.1 17 19 A R H 3< S+ 0 0 7 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.525 84.7 91.1 -82.0 -9.0 133.8 38.3 -27.1 18 20 A R S << S+ 0 0 84 -3,-1.5 2,-0.3 -4,-0.7 -1,-0.2 0.836 92.1 24.1 -61.0 -40.0 135.5 36.9 -30.2 19 21 A D S > S- 0 0 71 -3,-0.4 4,-2.2 -4,-0.4 3,-0.3 -0.931 73.5-121.6-130.1 151.9 138.3 34.9 -28.3 20 22 A D H > S+ 0 0 85 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.867 110.8 57.5 -54.1 -41.9 138.8 33.4 -24.9 21 23 A F H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 110.7 41.8 -62.7 -39.7 141.9 35.5 -24.2 22 24 A S H > S+ 0 0 10 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.875 111.8 54.2 -78.9 -34.9 140.0 38.9 -24.8 23 25 A R H X S+ 0 0 32 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.912 110.6 49.1 -56.5 -44.1 137.0 37.7 -22.8 24 26 A R H < S+ 0 0 160 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.912 108.7 52.5 -62.4 -45.8 139.5 36.9 -20.0 25 27 A L H < S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 117.7 35.6 -56.5 -43.1 141.1 40.4 -20.3 26 28 A V H < S+ 0 0 55 -4,-2.0 -1,-0.2 -10,-0.2 -2,-0.2 0.549 81.1 130.5 -93.1 -9.9 137.8 42.3 -20.0 27 29 A R < - 0 0 87 -4,-1.3 3,-0.1 -3,-0.3 539,-0.1 -0.205 46.2-155.5 -46.8 125.3 136.1 40.0 -17.5 28 30 A E + 0 0 63 1,-0.2 2,-0.3 535,-0.1 -1,-0.1 0.737 65.4 19.9 -84.7 -23.4 134.7 42.3 -14.8 29 31 A N - 0 0 46 2,-0.0 2,-0.3 538,-0.0 -1,-0.2 -0.995 57.2-165.1-148.3 146.3 134.5 39.9 -11.9 30 32 A V - 0 0 89 -2,-0.3 2,-0.4 282,-0.1 0, 0.0 -0.971 18.3-133.5-132.0 147.3 135.8 36.6 -10.7 31 33 A L + 0 0 16 -2,-0.3 2,-0.3 300,-0.0 278,-0.1 -0.846 29.5 178.0 -95.2 138.0 134.7 34.3 -8.0 32 34 A T > - 0 0 51 -2,-0.4 3,-2.0 1,-0.0 4,-0.1 -0.900 46.3-104.8-129.9 166.6 137.4 32.9 -5.7 33 35 A V G > S+ 0 0 34 -2,-0.3 3,-1.7 1,-0.3 295,-0.1 0.773 115.6 71.9 -56.9 -29.1 137.5 30.6 -2.6 34 36 A D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 44,-0.1 43,-0.0 0.643 93.2 57.6 -58.5 -18.7 138.1 33.8 -0.5 35 37 A D G < S+ 0 0 17 -3,-2.0 284,-3.0 283,-0.1 2,-0.4 0.424 88.9 99.9 -91.7 -2.1 134.4 34.7 -1.2 36 38 A L E < +a 319 0A 0 -3,-1.7 44,-0.8 282,-0.2 2,-0.4 -0.729 41.0 179.0-104.7 133.9 132.9 31.6 0.3 37 39 A I E -ab 320 80A 10 282,-2.6 284,-2.7 -2,-0.4 287,-0.2 -0.995 18.6-148.2-122.9 129.3 131.2 30.9 3.6 38 40 A L E - b 0 81A 14 42,-2.2 44,-2.1 -2,-0.4 2,-0.2 -0.848 4.7-150.3 -98.2 116.7 129.8 27.4 4.3 39 41 A P E - b 0 82A 4 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.608 18.9-166.8 -76.0 142.2 126.7 27.1 6.6 40 42 A V E - b 0 83A 9 42,-2.6 44,-2.7 -2,-0.2 2,-0.5 -0.995 18.5-135.0-135.2 138.0 126.7 23.8 8.5 41 43 A F E -cb 60 84A 2 18,-0.6 20,-2.7 -2,-0.4 2,-0.5 -0.833 25.6-153.3 -95.2 126.2 123.9 22.1 10.5 42 44 A V E -cb 61 85A 1 42,-2.4 44,-3.1 -2,-0.5 20,-0.2 -0.884 6.7-160.6-114.3 121.1 125.2 20.8 13.9 43 45 A L E -c 62 0A 14 18,-2.6 20,-0.6 -2,-0.5 5,-0.1 -0.600 19.2-120.4 -91.2 156.0 123.7 17.8 15.8 44 46 A D S S+ 0 0 57 42,-0.4 -1,-0.1 -2,-0.2 2,-0.1 -0.307 76.2 36.7 -72.8 170.1 124.0 16.9 19.5 45 47 A G S S- 0 0 41 17,-0.1 18,-0.5 -2,-0.1 19,-0.4 -0.313 89.9 -68.7 85.8-165.5 125.6 13.5 20.3 46 48 A V S S+ 0 0 102 1,-0.2 -2,-0.1 16,-0.1 0, 0.0 -0.968 101.7 11.3-136.3 145.0 128.4 11.5 18.7 47 49 A N S S+ 0 0 115 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.899 85.3 150.4 52.7 46.5 128.7 9.7 15.3 48 50 A Q + 0 0 82 -3,-0.2 14,-2.3 -5,-0.1 2,-0.3 -0.942 16.3 162.6-110.6 129.6 125.5 11.3 14.0 49 51 A R E -D 61 0A 87 -2,-0.5 2,-0.4 12,-0.2 12,-0.2 -0.955 9.9-178.1-142.2 126.9 124.9 12.1 10.3 50 52 A E E -D 60 0A 77 10,-2.2 10,-2.8 -2,-0.3 2,-0.1 -0.990 20.7-134.7-130.6 125.8 121.4 12.8 8.9 51 53 A S E -D 59 0A 91 -2,-0.4 8,-0.2 8,-0.2 -2,-0.0 -0.471 14.5-139.3 -70.7 146.2 120.4 13.6 5.3 52 54 A I > - 0 0 3 6,-1.5 3,-1.5 3,-0.4 6,-0.4 -0.957 7.3-157.7-111.4 107.1 118.0 16.5 4.6 53 55 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 575,-0.1 0.883 93.1 49.4 -53.4 -44.2 115.5 15.4 1.9 54 56 A S T 3 S+ 0 0 4 1,-0.2 238,-0.1 157,-0.2 158,-0.1 0.492 114.2 48.6 -76.9 -2.3 114.6 19.0 0.9 55 57 A M S X S- 0 0 0 -3,-1.5 3,-2.4 3,-0.2 -3,-0.4 -0.608 88.4-150.1-131.9 73.3 118.4 19.9 0.7 56 58 A P T 3 S+ 0 0 16 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.162 79.9 14.5 -53.4 125.7 119.9 17.0 -1.4 57 59 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 -5,-0.1 -6,-0.0 0.390 98.8 115.2 93.8 -3.2 123.6 16.4 -0.5 58 60 A V < - 0 0 21 -3,-2.4 -6,-1.5 -6,-0.4 2,-0.4 -0.870 45.0-167.5-101.9 134.5 123.4 18.3 2.8 59 61 A E E - D 0 51A 69 -2,-0.4 -18,-0.6 -8,-0.2 2,-0.4 -0.912 22.5-132.4-118.5 145.1 123.9 16.5 6.1 60 62 A R E -cD 41 50A 38 -10,-2.8 -10,-2.2 -2,-0.4 2,-0.4 -0.815 36.8-160.1 -84.4 140.3 123.4 17.5 9.7 61 63 A L E -cD 42 49A 10 -20,-2.7 -18,-2.6 -2,-0.4 -12,-0.2 -0.973 18.7-129.3-130.2 134.5 126.5 16.4 11.6 62 64 A S E > -c 43 0A 0 -14,-2.3 4,-2.4 -2,-0.4 3,-0.4 -0.315 45.8 -98.6 -66.7 166.2 127.4 15.8 15.2 63 65 A I H > S+ 0 0 21 -20,-0.6 4,-2.7 -18,-0.5 5,-0.2 0.891 122.8 54.5 -63.0 -41.6 130.5 17.7 16.3 64 66 A D H > S+ 0 0 47 -19,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.899 113.0 44.4 -55.8 -41.5 132.9 14.8 15.9 65 67 A Q H > S+ 0 0 23 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.858 109.3 56.3 -73.6 -37.8 131.7 14.4 12.3 66 68 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.922 106.0 51.0 -55.2 -48.9 131.9 18.1 11.8 67 69 A L H X S+ 0 0 41 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.870 110.3 49.7 -59.5 -39.8 135.6 18.2 12.8 68 70 A I H >X S+ 0 0 81 -4,-1.4 3,-0.7 -5,-0.2 4,-0.5 0.940 114.1 43.5 -63.1 -51.8 136.3 15.3 10.3 69 71 A E H >X S+ 0 0 34 -4,-2.5 4,-1.4 1,-0.2 3,-1.1 0.849 104.5 66.3 -60.5 -38.3 134.6 17.1 7.4 70 72 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 5,-0.3 0.791 87.5 68.4 -57.5 -30.0 136.2 20.4 8.4 71 73 A E H S+ 0 0 16 -4,-1.4 5,-2.0 2,-0.2 4,-0.2 0.923 112.6 43.7 -59.9 -46.7 136.9 22.4 4.1 74 76 A V H ><5S+ 0 0 60 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.904 110.3 55.8 -64.3 -42.3 140.2 23.9 5.4 75 77 A A H 3<5S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.847 106.8 50.9 -60.6 -33.4 142.3 22.0 2.8 76 78 A L T 3<5S- 0 0 28 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.506 118.0-116.1 -78.8 -5.2 140.1 23.7 0.1 77 79 A G T < 5 + 0 0 35 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.608 51.0 167.4 77.6 15.8 140.7 27.1 1.6 78 80 A I < - 0 0 4 -5,-2.0 -1,-0.2 1,-0.2 43,-0.1 -0.476 28.3-147.7 -62.3 119.7 137.1 27.9 2.6 79 81 A P + 0 0 53 0, 0.0 42,-2.6 0, 0.0 2,-0.3 0.797 62.8 3.4 -66.1 -33.0 137.6 30.9 4.9 80 82 A A E -be 37 121A 11 -44,-0.8 -42,-2.2 40,-0.2 2,-0.4 -0.993 52.7-140.6-152.4 157.8 134.7 30.4 7.4 81 83 A L E -be 38 122A 0 40,-2.3 42,-2.7 -2,-0.3 2,-0.6 -0.930 14.3-145.4-112.7 145.6 131.8 28.3 8.5 82 84 A A E -be 39 123A 2 -44,-2.1 -42,-2.6 -2,-0.4 2,-0.4 -0.962 24.5-142.9-104.8 117.4 128.4 29.6 9.7 83 85 A L E -b 40 0A 3 40,-2.3 42,-0.4 -2,-0.6 -42,-0.2 -0.671 21.1-179.5 -90.3 130.1 127.2 27.3 12.5 84 86 A F E -b 41 0A 5 -44,-2.7 -42,-2.4 -2,-0.4 2,-0.1 -0.900 18.2-149.4-124.6 100.9 123.5 26.4 12.8 85 87 A P E -b 42 0A 10 0, 0.0 2,-0.9 0, 0.0 -42,-0.2 -0.429 10.8-136.5 -70.1 146.3 122.7 24.1 15.7 86 88 A V - 0 0 26 -44,-3.1 -42,-0.4 -2,-0.1 131,-0.1 -0.860 31.1-145.7 -98.9 94.6 119.8 21.6 15.5 87 89 A T - 0 0 12 -2,-0.9 5,-0.1 129,-0.2 -44,-0.0 -0.445 13.9-114.0 -73.6 128.1 118.5 22.1 19.0 88 90 A P > - 0 0 23 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.362 25.3-121.2 -56.8 138.3 117.0 19.1 20.8 89 91 A V G > S+ 0 0 117 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.874 111.1 59.5 -48.4 -45.4 113.2 19.5 21.3 90 92 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 3,-0.0 43,-0.1 0.697 98.3 58.5 -59.1 -23.3 113.6 19.1 25.1 91 93 A K G < S+ 0 0 89 -3,-1.9 7,-0.4 41,-0.1 -1,-0.3 0.468 82.4 101.8 -91.3 0.1 116.0 22.1 25.3 92 94 A K < + 0 0 35 -3,-1.7 2,-0.3 -4,-0.4 40,-0.2 -0.608 48.9 164.6 -77.6 142.1 113.5 24.6 23.9 93 95 A S B -k 132 0B 33 38,-2.7 40,-0.9 -2,-0.3 3,-0.4 -0.902 52.1-102.4-148.5 172.1 111.8 26.9 26.5 94 96 A L S S+ 0 0 124 -2,-0.3 46,-0.2 38,-0.2 -1,-0.1 0.901 121.7 46.1 -64.8 -38.9 109.7 30.0 26.8 95 97 A D S S- 0 0 91 44,-0.1 -1,-0.2 -3,-0.1 37,-0.1 0.433 98.0-135.0 -91.2 -1.2 112.8 32.0 27.9 96 98 A A > + 0 0 0 35,-0.4 3,-2.1 -3,-0.4 4,-0.3 0.729 47.5 155.7 53.3 26.4 115.2 30.7 25.3 97 99 A A G > + 0 0 30 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.785 61.2 71.4 -51.8 -34.7 117.9 30.1 28.0 98 100 A E G > S+ 0 0 20 -7,-0.4 3,-1.2 33,-0.3 -1,-0.3 0.767 81.3 75.8 -52.3 -28.0 119.7 27.5 25.9 99 101 A A G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.855 106.2 31.0 -52.6 -39.5 120.8 30.3 23.6 100 102 A Y G < S+ 0 0 54 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.228 85.5 129.8-108.6 12.9 123.5 31.4 26.2 101 103 A N X - 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0 0 57 -8,-3.3 4,-1.5 -2,-0.6 -8,-0.5 -0.556 14.4-153.3 -69.6 122.5 109.1 42.0 22.1 148 150 A N H > S+ 0 0 15 -2,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.978 84.8 33.1 -63.1 -60.3 111.9 43.9 20.6 149 151 A D H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.854 116.5 53.0 -74.0 -37.5 114.0 45.0 23.5 150 152 A V H > S+ 0 0 70 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.922 109.2 52.0 -61.7 -41.9 113.4 42.1 25.9 151 153 A S H >X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 3,-0.5 0.920 105.0 56.6 -60.8 -41.8 114.6 39.8 23.0 152 154 A I H 3X S+ 0 0 6 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.863 98.7 59.5 -56.9 -37.9 117.7 41.9 22.7 153 155 A D H 3X S+ 0 0 110 -4,-1.5 4,-1.5 -3,-0.3 -1,-0.2 0.887 110.2 42.9 -62.1 -35.7 118.6 41.3 26.3 154 156 A V H S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.6 0.930 109.7 50.0 -68.6 -43.9 129.8 33.0 21.7 163 165 A A H ><5S+ 0 0 10 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.905 110.3 50.9 -59.2 -44.3 132.6 35.5 22.3 164 166 A E H 3<5S+ 0 0 143 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 105.3 56.1 -63.2 -36.0 133.6 33.5 25.4 165 167 A A H 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.587 125.1-102.7 -69.9 -13.1 133.6 30.3 23.3 166 168 A G T <<5 + 0 0 29 -3,-1.1 -3,-0.2 -4,-0.6 -44,-0.1 0.451 61.7 161.4 108.7 3.4 136.2 31.9 20.9 167 169 A A < - 0 0 2 -5,-2.1 -1,-0.3 1,-0.2 -44,-0.1 -0.332 29.3-157.2 -62.5 131.7 134.0 32.8 17.9 168 170 A Q S S+ 0 0 26 -46,-0.6 28,-3.1 1,-0.2 2,-0.4 0.765 79.7 30.8 -76.9 -25.3 135.7 35.4 15.7 169 171 A V E -fg 123 196A 10 -47,-1.8 -45,-2.3 26,-0.2 2,-0.4 -0.999 62.3-163.4-137.7 132.1 132.3 36.5 14.3 170 172 A V E -fg 124 197A 0 26,-2.9 28,-2.6 -2,-0.4 -45,-0.2 -0.945 10.1-159.7-110.9 139.8 128.7 36.7 15.7 171 173 A A E -f 125 0A 2 -47,-2.7 -45,-2.2 -2,-0.4 2,-0.7 -0.891 6.3-152.2-123.9 96.2 125.9 37.0 13.2 172 174 A P E +f 126 0A 0 0, 0.0 28,-1.6 0, 0.0 -45,-0.2 -0.624 21.3 172.0 -71.6 111.0 122.6 38.4 14.7 173 175 A S + 0 0 0 -47,-2.2 2,-0.5 -2,-0.7 -46,-0.2 0.463 44.8 93.0-103.8 -10.2 120.0 36.9 12.5 174 176 A D S S- 0 0 1 -48,-0.8 2,-2.3 1,-0.1 26,-0.1 -0.799 81.0-124.3 -88.5 130.9 116.6 37.8 14.3 175 177 A M + 0 0 3 -2,-0.5 2,-0.4 4,-0.0 -1,-0.1 -0.365 52.7 150.5 -84.3 65.1 115.4 41.1 12.9 176 178 A M > - 0 0 1 -2,-2.3 3,-1.1 -28,-0.1 4,-0.3 -0.800 49.8-111.9 -90.6 138.7 115.1 43.1 16.1 177 179 A D T 3 S+ 0 0 12 -2,-0.4 -25,-0.1 1,-0.2 170,-0.1 -0.415 96.2 8.1 -67.9 140.0 115.6 46.9 15.9 178 180 A G T 3> S+ 0 0 5 -2,-0.1 4,-1.7 1,-0.1 -1,-0.2 0.477 87.4 125.8 74.1 3.0 118.7 48.3 17.5 179 181 A R H <> + 0 0 4 -3,-1.1 4,-2.6 1,-0.2 5,-0.3 0.845 66.1 58.7 -70.0 -31.5 120.2 44.8 18.2 180 182 A I H > S+ 0 0 0 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.941 108.5 45.5 -61.6 -46.9 123.5 45.5 16.5 181 183 A G H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 113.5 49.0 -62.6 -42.4 124.2 48.5 18.8 182 184 A A H X S+ 0 0 26 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.916 113.7 45.1 -66.5 -43.3 123.2 46.6 22.0 183 185 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.922 114.5 49.0 -67.2 -43.5 125.3 43.6 21.1 184 186 A R H X S+ 0 0 30 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.907 109.3 51.9 -61.0 -45.0 128.3 45.8 20.1 185 187 A E H X S+ 0 0 143 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.875 112.6 46.9 -58.6 -38.6 128.1 47.9 23.3 186 188 A A H X S+ 0 0 20 -4,-1.7 4,-2.0 2,-0.2 6,-0.2 0.927 112.1 48.8 -71.2 -46.1 128.1 44.6 25.4 187 189 A L H <>S+ 0 0 1 -4,-2.8 5,-2.2 1,-0.2 4,-0.4 0.938 114.2 46.4 -59.0 -48.2 131.0 43.2 23.4 188 190 A E H ><5S+ 0 0 93 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.920 112.2 49.8 -56.8 -49.2 133.0 46.4 23.9 189 191 A S H 3<5S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 111.4 50.1 -62.7 -31.2 132.2 46.7 27.6 190 192 A A T 3<5S- 0 0 59 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.440 119.1-107.7 -87.3 -1.9 133.2 43.1 28.2 191 193 A G T < 5S+ 0 0 50 -3,-1.3 2,-2.0 -4,-0.4 3,-0.2 0.474 76.9 133.6 90.2 0.8 136.6 43.5 26.4 192 194 A H > < + 0 0 45 -5,-2.2 3,-0.9 -6,-0.2 -1,-0.1 -0.446 24.9 159.5 -83.3 65.7 135.7 41.5 23.2 193 195 A T T 3 + 0 0 80 -2,-2.0 -1,-0.2 1,-0.2 -5,-0.1 0.724 66.3 38.1 -61.1 -32.9 137.2 44.2 21.1 194 196 A N T 3 S+ 0 0 125 -3,-0.2 2,-0.5 -7,-0.1 -1,-0.2 0.317 76.9 123.0-111.7 3.7 137.8 42.3 18.0 195 197 A V < - 0 0 14 -3,-0.9 -26,-0.2 -11,-0.1 2,-0.1 -0.593 60.4-134.2 -65.4 118.7 134.7 40.0 17.8 196 198 A R E -g 169 0A 97 -28,-3.1 -26,-2.9 -2,-0.5 2,-0.5 -0.478 9.4-147.3 -73.9 148.0 133.2 40.8 14.4 197 199 A V E -g 170 0A 0 54,-0.2 56,-2.1 -28,-0.2 57,-1.6 -0.978 7.5-166.3-116.7 115.1 129.5 41.4 14.1 198 200 A M E -h 254 0A 2 -28,-2.6 2,-0.3 -2,-0.5 57,-0.2 -0.875 18.4-151.7 -99.9 99.8 128.0 40.3 10.8 199 201 A A E -h 255 0A 0 55,-2.3 57,-1.4 -2,-0.8 2,-1.3 -0.556 16.9-140.7 -75.9 134.0 124.5 42.0 10.8 200 202 A Y E +h 256 0A 2 -28,-1.6 3,-0.3 -2,-0.3 57,-0.1 -0.822 42.7 165.2 -82.7 93.1 121.6 40.4 8.8 201 203 A S E + 0 0 0 -2,-1.3 2,-0.8 55,-1.2 -1,-0.2 0.962 60.8 28.4 -81.7 -58.6 120.6 43.9 7.8 202 204 A A E S+h 257 0A 0 54,-2.0 56,-2.5 -3,-0.2 2,-0.5 -0.805 76.7 160.7-110.2 85.8 118.2 43.5 4.9 203 205 A K E -h 258 0A 1 -2,-0.8 29,-2.5 -3,-0.3 2,-0.2 -0.952 25.6-146.8-114.2 122.5 116.5 40.2 5.6 204 206 A Y B -m 232 0D 0 54,-2.2 2,-1.4 -2,-0.5 29,-0.2 -0.528 23.6-108.2 -98.1 150.2 113.2 39.6 3.9 205 207 A A + 0 0 30 27,-3.5 2,-0.3 -2,-0.2 -1,-0.1 -0.597 62.5 178.8 -70.5 92.4 110.0 37.7 4.8 206 208 A S > - 0 0 9 -2,-1.4 3,-0.5 1,-0.1 427,-0.1 -0.710 51.5-153.0-117.9 146.0 110.7 34.9 2.3 207 209 A A G > S+ 0 0 17 -2,-0.3 3,-1.2 1,-0.2 423,-0.4 0.579 91.4 80.4 -79.4 -10.8 109.2 31.6 1.0 208 210 A Y G 3 S+ 0 0 0 1,-0.2 77,-2.2 2,-0.1 78,-0.2 0.551 75.4 74.2 -72.6 -5.6 112.8 30.6 0.0 209 211 A Y G <> + 0 0 0 -3,-0.5 4,-1.7 1,-0.2 3,-0.4 0.484 63.4 106.8 -84.2 -3.5 113.6 29.6 3.6 210 212 A G H <> S+ 0 0 18 -3,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.854 77.6 45.4 -41.9 -58.4 111.4 26.3 3.5 211 213 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.858 107.9 56.9 -62.2 -34.9 114.3 23.7 3.4 212 214 A F H > S+ 0 0 9 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.919 104.0 55.2 -58.9 -42.0 116.3 25.4 6.2 213 215 A R H X>S+ 0 0 20 -4,-1.7 5,-2.5 1,-0.2 4,-1.1 0.882 107.9 48.2 -60.2 -38.8 113.2 25.0 8.4 214 216 A D H <5S+ 0 0 62 -4,-1.3 3,-0.3 3,-0.2 -2,-0.2 0.913 109.4 54.4 -61.5 -45.3 113.3 21.2 7.6 215 217 A A H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.863 120.0 30.0 -56.9 -39.1 117.0 21.2 8.4 216 218 A V H <5S- 0 0 24 -4,-2.2 -1,-0.2 -5,-0.1 -129,-0.2 0.410 110.9-113.5-107.8 -0.5 116.5 22.7 11.9 217 219 A G T <5S+ 0 0 57 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.827 80.2 116.9 78.2 37.2 113.0 21.3 12.6 218 220 A S >>< + 0 0 19 -5,-2.5 3,-2.2 -6,-0.2 4,-0.5 0.479 35.6 102.5-112.1 -4.3 111.0 24.6 12.7 219 221 A A G >4 S+ 0 0 46 -6,-0.8 3,-1.1 1,-0.3 4,-0.3 0.839 80.2 54.1 -55.2 -38.7 108.6 24.1 9.7 220 222 A S G 34 S+ 0 0 121 1,-0.2 -1,-0.3 -7,-0.2 3,-0.1 0.520 102.7 58.5 -76.9 -4.7 105.6 23.3 12.0 221 223 A N G X4 S+ 0 0 42 -3,-2.2 3,-2.2 1,-0.1 -1,-0.2 0.549 77.0 94.8 -94.0 -12.3 106.0 26.5 14.0 222 224 A L G X< S+ 0 0 76 -3,-1.1 3,-0.9 -4,-0.5 5,-0.2 0.867 82.1 52.3 -50.6 -49.3 105.6 28.9 11.1 223 225 A G G 3 S+ 0 0 71 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.536 90.0 81.4 -62.2 -8.4 101.9 29.5 11.6 224 226 A K G < S+ 0 0 148 -3,-2.2 2,-0.3 -90,-0.2 -1,-0.2 0.287 103.8 4.4 -91.3 10.4 102.3 30.4 15.3 225 227 A G S < S- 0 0 29 -3,-0.9 2,-0.6 -4,-0.1 -80,-0.1 -0.958 80.1 -96.2-171.8 178.2 103.3 34.0 14.7 226 228 A N > - 0 0 83 -2,-0.3 3,-1.6 1,-0.1 4,-0.1 -0.895 19.6-171.1-117.2 106.5 103.8 36.6 12.0 227 229 A K G >> S+ 0 0 21 -2,-0.6 4,-2.8 1,-0.3 3,-1.7 0.724 80.7 78.0 -64.0 -18.4 107.3 37.0 10.6 228 230 A A G 34 S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.597 78.6 71.9 -71.0 -9.3 106.0 40.1 8.6 229 231 A T G <4 S+ 0 0 10 -3,-1.6 -1,-0.3 124,-0.1 123,-0.2 0.454 122.4 6.0 -84.7 -0.7 106.2 42.1 11.9 230 232 A Y T <4 S+ 0 0 2 -3,-1.7 -2,-0.2 1,-0.2 2,-0.1 0.463 112.9 79.7-146.1 -40.1 110.0 42.1 11.8 231 233 A Q S < S- 0 0 5 -4,-2.8 -27,-0.2 1,-0.1 -1,-0.2 -0.449 89.4 -98.1 -68.1 149.5 111.3 40.5 8.5 232 234 A M B -m 204 0D 0 -29,-2.5 -27,-3.5 -2,-0.1 -1,-0.1 -0.372 28.7-109.5 -77.0 145.9 111.1 42.9 5.5 233 235 A D > - 0 0 29 -29,-0.2 3,-2.3 1,-0.1 130,-0.1 -0.636 25.9-132.1 -65.6 123.2 108.4 43.0 2.9 234 236 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 409,-0.1 0.701 104.1 66.4 -49.4 -26.5 109.9 41.6 -0.4 235 237 A A T 3 S+ 0 0 2 129,-0.1 2,-0.6 407,-0.0 -2,-0.0 0.617 84.2 93.5 -68.1 -14.0 108.4 44.7 -2.2 236 238 A N < + 0 0 2 -3,-2.3 4,-0.1 1,-0.2 126,-0.1 -0.766 30.3 151.0-107.2 119.9 110.7 47.2 -0.4 237 239 A S S >> S+ 0 0 4 -2,-0.6 3,-1.0 2,-0.1 4,-0.8 0.818 75.7 51.4-103.5 -56.1 114.0 48.4 -1.7 238 240 A D H >> S+ 0 0 83 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.895 103.6 63.1 -49.5 -45.1 114.5 51.9 -0.2 239 241 A E H 3> S+ 0 0 23 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.837 93.1 63.2 -52.5 -35.8 113.8 50.4 3.2 240 242 A A H <> S+ 0 0 1 -3,-1.0 4,-2.5 1,-0.2 -1,-0.3 0.851 97.2 56.8 -58.3 -39.5 116.9 48.2 2.9 241 243 A L H S+ 0 0 4 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.863 111.8 49.2 -65.2 -35.0 123.5 48.7 11.4 248 250 A L H ><5S+ 0 0 53 -4,-2.7 3,-1.5 3,-0.2 -1,-0.2 0.949 111.2 48.8 -66.6 -45.8 126.6 50.5 10.2 249 251 A A H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.851 109.5 55.1 -58.2 -34.1 126.0 53.4 12.7 250 252 A E T 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -5,-0.2 -66,-0.2 0.511 127.7 -95.0 -83.2 -5.0 125.5 50.8 15.4 251 253 A G T < 5 + 0 0 23 -3,-1.5 -54,-0.2 -4,-0.4 -3,-0.2 0.489 61.1 162.1 110.3 8.6 128.9 49.1 14.7 252 254 A A < - 0 0 11 -5,-2.5 -1,-0.2 1,-0.2 -54,-0.2 -0.297 26.1-159.1 -57.4 139.9 128.5 46.2 12.3 253 255 A D S S+ 0 0 66 -56,-2.1 2,-0.3 1,-0.3 -55,-0.2 0.685 81.9 20.6 -91.0 -21.6 131.7 45.1 10.6 254 256 A M E S-h 198 0A 30 -57,-1.6 -55,-2.3 22,-0.1 2,-0.3 -0.988 71.2-152.3-145.1 144.5 129.8 43.4 7.8 255 257 A V E -hi 199 278A 0 22,-2.3 24,-3.2 -2,-0.3 2,-0.3 -0.934 14.7-155.1-121.9 147.5 126.3 43.9 6.5 256 258 A M E -hi 200 279A 1 -57,-1.4 -54,-2.0 -2,-0.3 -55,-1.2 -0.933 13.9-150.2-133.3 143.9 124.2 41.2 4.8 257 259 A V E -hi 202 280A 0 22,-2.1 24,-1.9 -2,-0.3 -54,-0.2 -0.933 27.7-139.7-106.7 133.6 121.3 40.8 2.4 258 260 A X E S+h 203 0A 5 -56,-2.5 -54,-2.2 -2,-0.4 2,-0.2 -0.983 75.4 31.2-139.1 151.7 119.1 37.7 2.8 259 261 A P S S- 0 0 0 0, 0.0 23,-0.2 0, 0.0 22,-0.2 0.561 80.7-154.3 -11.7 172.3 117.8 35.9 0.4 260 262 A G S > S+ 0 0 0 21,-0.2 3,-2.2 -2,-0.2 7,-0.2 0.881 71.0 30.6-107.3 -82.5 120.4 36.2 -2.3 261 263 A M G > S+ 0 0 1 1,-0.3 3,-1.3 2,-0.2 333,-0.3 0.886 117.9 55.3 -59.4 -38.9 119.6 35.7 -6.0 262 264 A P G 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.541 115.8 41.2 -68.7 -1.9 116.0 37.0 -5.6 263 265 A Y G X> + 0 0 0 -3,-2.2 4,-1.7 1,-0.1 3,-0.9 -0.021 69.5 126.2-134.8 26.6 117.5 40.2 -4.0 264 266 A L H <> S+ 0 0 0 -3,-1.3 4,-2.2 327,-0.3 5,-0.1 0.799 73.0 60.4 -61.4 -29.3 120.5 40.9 -6.2 265 267 A D H 3> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.854 104.4 50.4 -62.2 -35.4 119.3 44.5 -6.8 266 268 A I H <> S+ 0 0 0 -3,-0.9 4,-3.1 2,-0.2 5,-0.2 0.900 107.1 52.7 -70.4 -43.6 119.5 45.1 -3.0 267 269 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 -7,-0.2 5,-0.2 0.953 111.7 48.3 -53.2 -50.8 123.0 43.8 -2.9 268 270 A R H X S+ 0 0 34 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 113.4 45.2 -56.1 -50.2 123.9 46.3 -5.7 269 271 A R H X S+ 0 0 39 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.935 113.8 49.5 -62.6 -48.4 122.2 49.2 -4.0 270 272 A V H X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.2 5,-0.5 0.914 114.3 44.3 -58.5 -46.4 123.7 48.4 -0.6 271 273 A K H X S+ 0 0 36 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.942 115.1 49.0 -64.3 -46.6 127.3 48.1 -2.0 272 274 A D H < S+ 0 0 63 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.898 117.6 38.9 -57.2 -45.9 126.9 51.3 -4.2 273 275 A E H < S+ 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.825 128.6 25.3 -79.2 -35.5 125.6 53.5 -1.4 274 276 A F H < S- 0 0 41 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.663 76.6-150.4-108.0 -22.1 127.7 52.4 1.7 275 277 A R < + 0 0 192 -4,-1.8 -4,-0.1 -5,-0.5 -3,-0.1 0.892 52.6 134.2 50.9 45.0 130.9 51.0 0.2 276 278 A A S S- 0 0 12 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.721 72.1 -71.1-119.1 164.9 131.1 48.6 3.2 277 279 A P - 0 0 64 0, 0.0 -22,-2.3 0, 0.0 2,-0.5 -0.483 60.9-163.4 -63.2 120.7 131.9 44.8 3.5 278 280 A T E -i 255 0A 0 -2,-0.3 39,-3.0 37,-0.2 40,-1.4 -0.926 11.1-170.9-123.3 127.6 128.8 43.4 2.0 279 281 A F E -ij 256 318A 27 -24,-3.2 -22,-2.1 -2,-0.5 2,-0.3 -0.802 4.3-162.3-120.3 156.4 127.6 39.8 2.4 280 282 A V E -ij 257 319A 0 38,-1.6 40,-2.7 -2,-0.3 2,-0.6 -0.998 12.8-139.7-141.3 140.7 124.7 37.8 0.8 281 283 A Y E - j 0 320A 0 -24,-1.9 2,-1.1 -2,-0.3 -21,-0.2 -0.914 2.4-155.9-105.7 115.0 123.1 34.5 1.8 282 284 A Q E - j 0 321A 0 38,-3.0 40,-0.6 -2,-0.6 41,-0.1 -0.822 38.6-143.6 -84.7 101.6 122.2 32.1 -1.0 283 285 A V >> - 0 0 0 -2,-1.1 4,-2.1 38,-0.1 3,-0.6 -0.065 19.7 -95.7 -81.0 170.6 119.5 30.5 1.1 284 286 A S H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -75,-0.2 0.824 122.7 54.9 -50.6 -44.4 118.3 26.9 1.5 285 287 A G H 3> S+ 0 0 0 -77,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.894 108.1 49.6 -55.5 -44.5 115.5 27.4 -1.1 286 288 A E H <> S+ 0 0 0 -3,-0.6 4,-2.0 -78,-0.2 -2,-0.2 0.934 112.6 46.4 -62.8 -47.5 118.0 28.6 -3.7 287 289 A Y H X S+ 0 0 2 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.946 114.2 49.1 -55.5 -52.3 120.3 25.6 -3.1 288 290 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.907 109.8 48.8 -58.6 -46.8 117.3 23.2 -3.3 289 291 A M H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.926 114.8 45.6 -66.6 -38.5 115.8 24.5 -6.5 290 292 A H H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.945 116.2 46.4 -62.2 -48.4 119.3 24.4 -8.2 291 293 A M H X S+ 0 0 17 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.920 111.0 51.1 -61.2 -46.9 120.0 20.9 -6.9 292 294 A G H X S+ 0 0 3 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.907 112.7 46.3 -55.8 -45.9 116.5 19.6 -7.8 293 295 A A H <>S+ 0 0 3 -4,-1.9 5,-2.3 -5,-0.3 6,-1.2 0.875 113.9 48.0 -68.5 -37.8 116.9 20.9 -11.4 294 296 A I H ><5S+ 0 0 26 -4,-2.4 3,-1.7 4,-0.2 -2,-0.2 0.948 112.0 48.8 -66.9 -48.5 120.5 19.5 -11.7 295 297 A Q H 3<5S+ 0 0 120 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.853 109.3 54.2 -59.5 -34.3 119.5 16.1 -10.4 296 298 A N T 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.541 113.5-119.8 -71.4 -10.1 116.5 16.1 -12.8 297 299 A G T < 5S+ 0 0 60 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.631 84.3 117.5 72.0 16.4 118.9 16.7 -15.7 298 300 A W S - 0 0 56 242,-0.5 3,-1.8 -2,-0.3 4,-0.2 -0.388 31.4-113.7 -67.9 152.1 123.8 21.8 -16.3 301 303 A E T > S+ 0 0 141 1,-0.3 3,-2.3 2,-0.1 4,-0.4 0.783 108.3 80.1 -57.4 -31.1 126.1 21.7 -13.2 302 304 A S T 3> S+ 0 0 65 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.649 71.3 79.2 -52.4 -21.9 127.6 25.0 -14.5 303 305 A V H <> S+ 0 0 0 -3,-1.8 4,-2.7 2,-0.2 -1,-0.3 0.780 83.0 66.6 -57.4 -25.7 124.6 26.9 -13.0 304 306 A I H <> S+ 0 0 3 -3,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.984 106.5 37.3 -61.0 -57.0 126.3 26.6 -9.6 305 307 A L H > S+ 0 0 45 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.835 115.0 56.5 -65.7 -31.6 129.3 28.8 -10.6 306 308 A E H X S+ 0 0 15 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.928 107.9 47.8 -61.7 -44.7 126.9 31.1 -12.6 307 309 A S H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.850 114.7 45.8 -62.8 -36.4 124.7 31.7 -9.6 308 310 A L H >X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 3,-0.5 0.891 107.8 55.6 -78.4 -38.3 127.8 32.5 -7.4 309 311 A T H 3X S+ 0 0 25 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.867 100.2 62.6 -57.9 -38.4 129.4 34.8 -10.0 310 312 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.883 99.4 53.3 -54.2 -41.7 126.1 36.8 -10.0 311 313 A F H S+ 0 0 0 -4,-0.8 5,-2.5 -3,-0.5 4,-0.7 0.905 110.6 47.0 -62.6 -41.4 126.7 37.6 -6.3 312 314 A K H ><5S+ 0 0 33 -4,-1.4 3,-0.9 3,-0.2 -2,-0.2 0.931 112.4 48.8 -65.4 -47.2 130.2 38.9 -7.1 313 315 A R H 3<5S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.886 106.9 56.7 -58.4 -41.4 128.9 41.0 -10.1 314 316 A A H 3<5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -43,-0.2 0.671 129.0 -94.1 -67.9 -16.5 126.1 42.5 -7.9 315 317 A G T <<5S+ 0 0 10 -3,-0.9 -37,-0.2 -4,-0.7 -3,-0.2 0.429 71.5 149.2 119.5 1.6 128.7 43.8 -5.4 316 318 A A < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -37,-0.2 -0.424 31.5-165.2 -69.0 139.0 129.0 41.1 -2.7 317 319 A D S S+ 0 0 67 -39,-3.0 2,-0.3 1,-0.3 -38,-0.2 0.827 78.0 15.0 -83.4 -39.0 132.3 40.6 -0.9 318 320 A G E - j 0 279A 3 -40,-1.4 -38,-1.6 -7,-0.1 2,-0.4 -0.973 65.3-150.7-140.6 154.5 131.3 37.2 0.6 319 321 A I E -aj 36 280A 0 -284,-3.0 -282,-2.6 -2,-0.3 2,-0.7 -0.986 9.6-147.2-130.3 121.2 128.6 34.6 -0.0 320 322 A L E +aj 37 281A 0 -40,-2.7 -38,-3.0 -2,-0.4 2,-0.4 -0.816 40.6 162.8 -84.3 117.2 127.0 32.2 2.5 321 323 A T E > - j 0 282A 0 -284,-2.7 3,-1.7 -2,-0.7 4,-0.2 -0.992 51.7-146.1-146.5 129.4 126.3 29.2 0.3 322 324 A Y T 3 S+ 0 0 12 -40,-0.6 3,-0.3 -2,-0.4 4,-0.3 0.642 105.7 64.9 -63.8 -13.9 125.5 25.5 0.8 323 325 A F T 3> + 0 0 0 1,-0.2 4,-3.3 -41,-0.1 5,-0.3 0.344 69.1 111.2 -83.2 3.9 127.4 25.1 -2.5 324 326 A A H <> S+ 0 0 0 -3,-1.7 4,-2.8 -287,-0.2 5,-0.2 0.867 79.2 41.5 -52.9 -45.6 130.7 26.3 -0.8 325 327 A K H > S+ 0 0 48 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.953 116.3 47.8 -67.6 -48.4 132.5 22.9 -0.9 326 328 A Q H > S+ 0 0 64 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.927 116.5 46.6 -55.0 -45.8 131.3 22.0 -4.5 327 329 A A H X S+ 0 0 0 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.934 110.7 49.5 -64.2 -50.1 132.3 25.5 -5.6 328 330 A A H X S+ 0 0 0 -4,-2.8 4,-1.0 -5,-0.3 3,-0.3 0.884 110.0 53.6 -55.3 -43.9 135.8 25.5 -3.9 329 331 A E H X S+ 0 0 55 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.935 109.2 46.6 -54.8 -53.2 136.5 22.1 -5.4 330 332 A Q H < S+ 0 0 65 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.756 114.6 50.8 -58.9 -23.6 135.7 23.4 -9.0 331 333 A L H < S+ 0 0 52 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.958 100.7 58.0 -80.4 -61.4 137.9 26.5 -8.3 332 334 A R H < 0 0 154 -4,-1.0 -1,-0.3 -256,-0.1 -2,-0.2 0.378 360.0 360.0 60.3 -76.1 140.7 24.7 -7.2 333 335 A R < 0 0 195 -4,-0.7 -1,-0.0 -5,-0.1 -4,-0.0 -0.774 360.0 360.0 -89.4 360.0 140.8 22.9 -10.5 334 !* 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 0.0 335 2 B S 0 0 154 0, 0.0 2,-0.3 0, 0.0 -62,-0.0 0.000 360.0 360.0 360.0-116.5 120.9 59.1 -4.1 336 3 B F - 0 0 43 -63,-0.1 3,-0.0 -95,-0.0 0, 0.0 -0.955 360.0-175.0-153.0 129.3 120.5 58.6 -0.4 337 4 B T - 0 0 110 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.966 15.6-155.9-120.9 113.0 120.6 60.6 2.9 338 5 B P > - 0 0 55 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.701 25.0-145.6 -65.4 -16.0 120.3 58.5 6.1 339 6 B A T 3 - 0 0 72 1,-0.3 -2,-0.0 -3,-0.0 0, 0.0 0.778 52.8 -77.4 54.9 32.8 119.0 61.7 7.8 340 7 B N T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -95,-0.0 2,-0.2 0.760 73.3 177.2 52.3 30.2 120.7 60.7 11.1 341 8 B R < + 0 0 106 -3,-1.5 2,-0.4 4,-0.1 -1,-0.2 -0.483 7.6 178.7 -66.9 131.1 117.9 58.1 11.8 342 9 B A >> - 0 0 50 -2,-0.2 4,-2.4 -93,-0.0 3,-0.9 -0.997 24.5 -81.3-143.0 133.5 118.8 56.3 15.1 343 10 B Y T 34 S+ 0 0 69 -2,-0.4 4,-0.1 1,-0.3 -165,-0.0 -0.464 107.0 23.5 -57.7 141.1 117.3 53.6 17.3 344 11 B P T 34 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.985 125.9 50.2 -87.9 1.5 115.2 53.9 19.5 345 12 B Y T <4 S+ 0 0 201 -3,-0.9 2,-0.6 1,-0.2 -2,-0.3 0.940 118.9 44.6 -63.3 -44.2 113.8 57.1 17.9 346 13 B T < + 0 0 31 -4,-2.4 2,-0.4 4,-0.0 -1,-0.2 -0.901 67.6 169.6 -98.6 122.1 113.7 55.1 14.7 347 14 B R > - 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0 0 3 -5,-2.3 -1,-0.2 1,-0.2 -44,-0.1 -0.341 27.0-157.6 -56.6 126.9 102.8 41.7 -35.1 503 170 B Q S S+ 0 0 25 -46,-0.6 28,-2.9 1,-0.2 2,-0.4 0.773 80.2 31.0 -74.8 -29.3 102.6 44.9 -32.8 504 171 B V E -st 458 531E 11 -47,-1.9 -45,-2.3 26,-0.2 2,-0.4 -0.998 64.3-162.2-130.3 134.5 106.1 44.1 -31.4 505 172 B V E -st 459 532E 0 26,-3.0 28,-2.6 -2,-0.4 -45,-0.2 -0.947 10.6-158.4-109.7 139.3 109.1 42.3 -32.9 506 173 B A E -s 460 0E 2 -47,-2.5 -45,-2.3 -2,-0.4 2,-0.8 -0.861 4.3-154.3-122.2 92.3 111.7 41.0 -30.4 507 174 B P E +s 461 0E 1 0, 0.0 28,-1.8 0, 0.0 -45,-0.2 -0.566 21.4 169.8 -71.0 109.2 115.2 40.5 -31.8 508 175 B S + 0 0 0 -47,-1.9 2,-0.4 -2,-0.8 -46,-0.2 0.525 43.9 92.9 -98.7 -12.7 116.7 37.9 -29.6 509 176 B D S S- 0 0 1 -48,-0.9 2,-2.5 1,-0.1 5,-0.1 -0.766 81.2-123.4 -88.3 132.0 120.0 36.8 -31.4 510 177 B M + 0 0 2 -2,-0.4 2,-0.4 4,-0.0 -1,-0.1 -0.304 53.5 150.7 -82.1 61.5 122.9 39.0 -30.0 511 178 B M > - 0 0 1 -2,-2.5 3,-1.1 -28,-0.1 4,-0.3 -0.775 49.6-113.3 -88.2 134.9 124.1 40.5 -33.3 512 179 B D T 3 S+ 0 0 13 -2,-0.4 -25,-0.1 1,-0.2 -500,-0.1 -0.462 95.0 7.6 -67.1 142.0 125.7 43.9 -33.0 513 180 B G T 3> S+ 0 0 6 -2,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.493 87.8 125.7 70.3 6.0 123.8 46.8 -34.7 514 181 B R H <> + 0 0 3 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.830 66.1 57.9 -72.7 -29.6 120.7 44.7 -35.4 515 182 B I H > S+ 0 0 0 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.941 109.3 46.7 -63.8 -45.7 118.2 47.0 -33.7 516 183 B G H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.902 112.6 48.4 -61.2 -45.9 119.3 49.8 -36.0 517 184 B A H X S+ 0 0 32 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.921 114.4 45.9 -63.5 -41.2 119.2 47.7 -39.2 518 185 B I H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.928 113.8 49.4 -68.8 -39.9 115.7 46.4 -38.2 519 186 B R H X S+ 0 0 32 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.893 109.0 51.9 -62.2 -44.2 114.5 49.9 -37.3 520 187 B E H X S+ 0 0 117 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.942 113.5 45.4 -56.8 -44.7 115.8 51.3 -40.6 521 188 B A H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 6,-0.2 0.903 112.4 48.5 -71.2 -45.5 113.9 48.6 -42.5 522 189 B L H <>S+ 0 0 1 -4,-2.8 5,-2.5 2,-0.2 4,-0.4 0.928 114.4 47.6 -59.3 -46.9 110.6 49.0 -40.6 523 190 B E H ><5S+ 0 0 93 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.943 111.8 48.8 -59.4 -48.4 110.8 52.8 -41.1 524 191 B S H 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 110.8 51.5 -62.8 -33.7 111.5 52.5 -44.8 525 192 B A T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.439 118.9-110.2 -80.0 -4.1 108.7 50.0 -45.3 526 193 B G T < 5S+ 0 0 52 -3,-1.5 2,-1.6 -4,-0.4 3,-0.2 0.594 75.7 135.3 84.5 11.1 106.2 52.3 -43.5 527 194 B H > < + 0 0 45 -5,-2.5 3,-1.0 -6,-0.2 -1,-0.1 -0.472 21.9 157.9 -86.8 62.8 105.8 50.1 -40.4 528 195 B T T 3 + 0 0 79 -2,-1.6 -1,-0.2 1,-0.2 -5,-0.1 0.820 66.5 42.7 -57.6 -38.0 106.0 53.3 -38.2 529 196 B N T 3 S+ 0 0 124 -3,-0.2 2,-0.5 -7,-0.1 -1,-0.2 0.366 76.9 118.7-100.9 3.7 104.3 51.8 -35.1 530 197 B V < - 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