==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-MAY-09 2WI9 . COMPND 2 MOLECULE: CYTOCHROME P450 HYDROXYLASE PIKC; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR S.LI,M.R.CHAULAGAIN,A.R.KNAUFF,L.M.PODUST,J.MONTGOMERY, . 790 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.6 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 . 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 . 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 . 41 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 5 3 1 3 1 3 3 4 2 2 0 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 12 A P 0 0 142 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 115.8 30.8 -3.1 60.0 2 13 A P - 0 0 124 0, 0.0 2,-0.7 0, 0.0 30,-0.2 0.253 360.0 -89.2 -55.1-174.9 33.9 -4.0 57.8 3 14 A V - 0 0 57 28,-0.1 2,-0.5 30,-0.0 30,-0.2 -0.906 40.0-130.5 -99.7 118.9 37.0 -1.9 57.6 4 15 A L E -a 33 0A 45 28,-1.4 30,-2.0 -2,-0.7 2,-0.7 -0.587 19.9-142.1 -70.1 118.1 36.6 0.8 54.9 5 16 A D E > -a 34 0A 60 -2,-0.5 4,-0.6 28,-0.2 30,-0.1 -0.740 21.0-178.0 -88.2 114.8 39.7 0.6 52.7 6 17 A L T 4 S+ 0 0 4 28,-2.4 4,-0.2 -2,-0.7 29,-0.2 0.682 84.2 59.8 -86.1 -21.7 40.8 4.1 51.5 7 18 A G T 4 S+ 0 0 37 27,-0.7 3,-0.5 28,-0.5 -1,-0.2 0.820 102.7 55.9 -66.5 -33.5 43.7 2.7 49.4 8 19 A A T 4 S+ 0 0 76 1,-0.2 -2,-0.2 2,-0.0 -1,-0.2 0.772 101.4 57.2 -65.4 -29.4 41.0 0.8 47.5 9 20 A L S < S+ 0 0 81 -4,-0.6 2,-0.2 1,-0.4 -1,-0.2 0.611 87.8 165.3 -53.4 -35.5 39.1 4.0 46.6 10 21 A G + 0 0 33 -3,-0.5 -1,-0.4 -4,-0.2 -2,-0.0 -0.750 29.6 26.9 -89.6 -43.4 41.8 4.9 45.4 11 22 A Q S S+ 0 0 62 2,-0.2 -1,-0.2 -2,-0.2 -2,-0.0 -0.050 106.7 38.5-159.3 -85.3 41.6 7.3 43.5 12 23 A D S > S+ 0 0 130 -3,-0.1 4,-2.2 4,-0.1 -2,-0.1 -0.438 97.8 87.1 85.4 -62.7 39.8 10.0 43.2 13 24 A F T 4 S+ 0 0 8 2,-0.2 -2,-0.2 1,-0.2 7,-0.1 0.820 87.7 54.9 -66.8 -30.1 39.8 9.9 47.0 14 25 A A T 4 S+ 0 0 23 2,-0.2 -1,-0.2 1,-0.2 -3,-0.1 0.904 110.8 43.8 -65.2 -45.6 43.1 11.9 46.6 15 26 A A T 4 S+ 0 0 54 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.924 137.2 4.4 -62.6 -48.5 41.3 14.6 44.5 16 27 A D < + 0 0 66 -4,-2.2 4,-0.2 1,-0.1 -1,-0.2 -0.801 62.2 162.6-149.8 89.4 38.1 14.8 46.7 17 28 A P >> + 0 0 2 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.672 56.6 92.1 -81.6 -16.7 38.0 12.8 50.0 18 29 A Y H 3> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.784 77.2 53.8 -58.9 -43.9 35.1 14.8 51.5 19 30 A P H 3> S+ 0 0 51 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.872 106.8 56.1 -61.3 -34.0 32.0 12.8 50.3 20 31 A T H <> S+ 0 0 29 -3,-0.8 4,-2.5 -4,-0.2 -2,-0.2 0.967 110.2 44.2 -54.5 -56.5 33.6 9.7 51.9 21 32 A Y H X S+ 0 0 2 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.886 114.8 47.9 -56.7 -45.9 33.8 11.5 55.3 22 33 A A H X S+ 0 0 38 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.918 106.8 58.0 -65.1 -41.2 30.3 12.9 55.1 23 34 A R H >X S+ 0 0 166 -4,-2.9 4,-0.8 -5,-0.2 3,-0.6 0.974 111.3 42.3 -51.0 -55.8 29.1 9.4 54.1 24 35 A L H >X S+ 0 0 22 -4,-2.5 4,-1.9 1,-0.2 3,-0.7 0.894 106.3 59.8 -59.0 -42.3 30.5 8.2 57.4 25 36 A R H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 97.3 63.7 -57.5 -31.8 29.3 11.1 59.6 26 37 A A H << S+ 0 0 91 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.908 107.5 40.7 -54.7 -48.9 25.8 10.2 58.6 27 38 A E H << S- 0 0 146 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.1 0.982 129.8 -59.7 -64.0 -63.4 26.1 6.8 60.3 28 39 A G < - 0 0 16 -4,-1.9 -1,-0.2 1,-0.1 17,-0.1 -0.978 50.0 -80.6-173.6-176.6 27.9 8.0 63.4 29 40 A P S S+ 0 0 18 0, 0.0 16,-3.2 0, 0.0 2,-0.4 0.772 99.9 51.0 -73.4 -24.8 31.0 9.7 64.8 30 41 A A E + B 0 44A 6 263,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.945 58.4 172.2-133.8 130.2 33.6 6.9 64.9 31 42 A H E - B 0 43A 28 12,-2.1 12,-2.5 -2,-0.4 2,-0.3 -0.989 28.9-129.3-146.9 129.3 34.8 4.5 62.2 32 43 A R E + B 0 42A 76 -2,-0.4 -28,-1.4 10,-0.2 2,-0.3 -0.551 41.1 161.0 -75.0 133.6 37.5 1.8 61.6 33 44 A V E -aB 4 41A 0 8,-2.6 8,-1.5 -2,-0.3 2,-0.4 -0.895 37.2-129.0-142.5 172.9 39.4 2.3 58.3 34 45 A R E -aB 5 40A 111 -30,-2.0 -28,-2.4 -2,-0.3 -27,-0.7 -0.992 31.1-132.2-126.4 124.6 42.6 1.3 56.5 35 46 A T - 0 0 12 4,-1.5 -28,-0.5 -2,-0.4 346,-0.1 -0.032 27.2-104.4 -68.0 168.4 44.7 4.1 55.1 36 47 A P S S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 345,-0.1 0.909 131.2 53.4 -51.7 -42.5 46.3 4.3 51.5 37 48 A E S S- 0 0 90 2,-0.1 344,-0.0 1,-0.0 -2,-0.0 0.775 124.6-114.6 -57.4 -32.1 49.5 3.5 53.5 38 49 A G + 0 0 28 1,-0.2 2,-0.4 0, 0.0 -1,-0.0 0.735 62.1 141.4 104.0 27.9 47.6 0.5 55.0 39 50 A N - 0 0 75 1,-0.0 -4,-1.5 0, 0.0 2,-0.8 -0.813 50.7-123.2-105.3 144.5 47.1 1.0 58.8 40 51 A E E +B 34 0A 47 -2,-0.4 263,-0.4 -6,-0.2 2,-0.3 -0.690 50.3 149.3 -82.1 103.0 44.0 0.2 60.9 41 52 A V E -B 33 0A 2 -8,-1.5 -8,-2.6 -2,-0.8 2,-0.4 -0.816 45.3-113.5-126.7 165.0 42.9 3.4 62.6 42 53 A W E -Bc 32 304A 22 261,-3.3 263,-3.2 -2,-0.3 2,-0.4 -0.837 24.3-151.1 -95.1 141.4 39.7 5.0 63.9 43 54 A L E -Bc 31 305A 5 -12,-2.5 -12,-2.1 -2,-0.4 2,-0.5 -0.895 2.8-153.3-104.7 140.8 38.4 8.1 62.2 44 55 A V E -Bc 30 306A 0 261,-2.8 263,-2.9 -2,-0.4 2,-0.3 -0.981 21.5-175.8-115.0 125.3 36.4 10.6 64.2 45 56 A V + 0 0 1 -16,-3.2 4,-0.2 -2,-0.5 263,-0.1 -0.781 34.5 55.0-121.6 158.4 33.9 12.6 62.1 46 57 A G S > S- 0 0 9 261,-0.3 4,-2.7 -2,-0.3 265,-0.3 0.420 76.8-101.3 90.7 135.5 31.5 15.5 62.6 47 58 A Y H > S+ 0 0 6 264,-0.3 4,-3.5 263,-0.3 5,-0.2 0.888 113.6 46.8 -55.3 -59.3 32.3 18.9 64.1 48 59 A D H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 118.7 41.9 -54.7 -44.2 30.9 18.7 67.6 49 60 A R H > S+ 0 0 88 2,-0.2 4,-2.7 -4,-0.2 5,-0.2 0.893 113.9 51.8 -72.9 -41.1 32.5 15.3 68.2 50 61 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.955 111.2 49.1 -58.7 -48.5 35.8 16.2 66.5 51 62 A R H X S+ 0 0 79 -4,-3.5 4,-1.2 -5,-0.2 -2,-0.2 0.909 113.2 46.1 -57.1 -46.1 36.1 19.4 68.7 52 63 A A H < S+ 0 0 55 -4,-1.8 4,-0.5 -5,-0.2 3,-0.3 0.917 111.1 50.5 -63.6 -51.1 35.4 17.4 71.9 53 64 A V H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.2 6,-0.2 0.860 104.0 60.4 -57.7 -37.4 37.9 14.6 71.1 54 65 A L H 3< S+ 0 0 8 -4,-2.1 287,-0.2 1,-0.3 -1,-0.2 0.908 117.4 31.2 -57.8 -41.7 40.7 17.1 70.3 55 66 A A T 3< S+ 0 0 41 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.387 91.9 112.3-101.4 7.5 40.4 18.5 73.8 56 67 A D X - 0 0 30 -3,-0.9 3,-2.4 -4,-0.5 -3,-0.0 -0.678 56.0-152.1 -83.8 115.9 39.4 15.3 75.7 57 68 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 231,-0.1 0.634 90.1 76.3 -72.2 2.0 42.2 14.1 78.1 58 69 A R T 3 S+ 0 0 93 1,-0.1 230,-2.2 229,-0.1 2,-0.7 0.679 85.4 70.2 -71.5 -17.0 40.9 10.5 77.8 59 70 A F E < S-E 287 0B 9 -3,-2.4 -1,-0.1 228,-0.2 2,-0.1 -0.921 81.7-158.0-104.8 107.8 42.6 10.6 74.3 60 71 A S E -E 286 0B 1 226,-3.5 226,-2.7 -2,-0.7 25,-0.1 -0.407 24.1-160.5 -84.5 158.2 46.4 10.6 74.9 61 72 A K + 0 0 3 224,-0.2 2,-0.5 -2,-0.1 24,-0.1 0.400 62.7 106.1-112.6 -2.6 49.2 11.7 72.6 62 73 A D > - 0 0 28 224,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.630 67.6-142.2 -81.2 123.2 51.9 9.7 74.5 63 74 A W G > S+ 0 0 41 20,-0.5 3,-1.6 -2,-0.5 -1,-0.1 0.711 96.1 76.3 -62.4 -13.4 53.0 6.7 72.6 64 75 A R G 3 S+ 0 0 224 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.788 96.2 51.9 -61.6 -23.1 53.4 4.7 75.9 65 76 A N G < S+ 0 0 63 -3,-2.3 2,-0.3 221,-0.1 -1,-0.3 0.391 96.3 88.7 -95.1 -1.7 49.5 4.6 75.7 66 77 A S < - 0 0 16 -3,-1.6 236,-0.2 -4,-0.2 235,-0.1 -0.735 63.7-151.8-101.3 145.1 49.5 3.2 72.2 67 78 A T S S+ 0 0 102 234,-2.1 235,-0.1 -2,-0.3 -1,-0.1 0.387 70.7 102.9 -89.2 -1.8 49.6 -0.5 71.2 68 79 A T S S- 0 0 60 233,-0.4 -2,-0.1 -5,-0.1 2,-0.1 -0.746 73.4-127.2 -85.6 129.2 51.3 0.4 67.9 69 80 A P - 0 0 112 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.362 17.7-139.0 -68.7 146.1 55.1 -0.3 67.8 70 81 A L - 0 0 57 -2,-0.1 2,-0.1 4,-0.0 0, 0.0 -0.900 10.9-126.6-105.5 143.7 57.6 2.4 66.9 71 82 A T > - 0 0 53 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.390 33.3-107.9 -69.3 164.8 60.7 2.0 64.7 72 83 A E H > S+ 0 0 182 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.884 121.5 53.0 -63.1 -37.5 63.9 3.1 66.2 73 84 A A H > S+ 0 0 19 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.886 110.1 47.3 -67.4 -39.0 63.9 6.1 63.8 74 85 A E H >> S+ 0 0 59 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.931 111.0 51.7 -64.9 -45.1 60.4 7.1 64.9 75 86 A A H >< S+ 0 0 36 -4,-2.7 3,-1.0 1,-0.3 4,-0.3 0.850 98.9 63.6 -62.8 -36.1 61.2 6.8 68.6 76 87 A A H 3< S+ 0 0 37 -4,-1.7 -1,-0.3 1,-0.2 3,-0.2 0.713 110.5 39.9 -56.3 -27.2 64.3 9.0 68.3 77 88 A L H << S+ 0 0 7 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.456 92.3 85.5-105.5 -4.5 62.1 12.0 67.3 78 89 A N << + 0 0 20 -3,-1.0 2,-1.9 -4,-0.6 -15,-0.2 0.468 54.1 98.0 -91.1 2.5 59.0 11.5 69.6 79 90 A H + 0 0 37 141,-0.3 2,-0.3 -4,-0.3 145,-0.2 -0.370 63.5 115.7 -80.8 66.7 60.2 13.3 72.8 80 91 A N S > S- 0 0 3 -2,-1.9 3,-1.0 144,-0.1 145,-0.1 -0.812 81.0-104.7-135.6 164.6 58.3 16.5 71.7 81 92 A M G > S+ 0 0 10 1,-0.3 3,-1.0 -2,-0.3 12,-0.1 0.825 115.9 58.4 -64.5 -27.3 55.3 18.5 73.2 82 93 A L G 3 S+ 0 0 51 1,-0.3 -1,-0.3 7,-0.0 -3,-0.1 0.809 107.3 45.5 -72.8 -26.0 52.9 17.2 70.5 83 94 A E G < S+ 0 0 50 -3,-1.0 -20,-0.5 -5,-0.1 2,-0.3 -0.271 107.3 80.5-109.5 42.3 53.5 13.5 71.4 84 95 A S < - 0 0 0 -3,-1.0 -22,-0.0 -22,-0.2 -5,-0.0 -0.937 61.0-148.0-138.0 163.5 53.2 14.2 75.1 85 96 A D >> - 0 0 38 -2,-0.3 4,-2.6 -24,-0.1 3,-0.6 -0.802 49.4 -41.8-118.8 169.0 50.6 14.6 77.8 86 97 A P T 34 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.427 118.5 31.3 -61.0 144.1 50.8 16.8 81.0 87 98 A P T 3> S+ 0 0 111 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.992 129.8 38.8 -87.9 -14.5 53.0 17.2 82.9 88 99 A R H <> S+ 0 0 56 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.944 117.9 51.5 -58.5 -38.2 55.7 16.7 80.2 89 100 A H H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.935 109.8 50.3 -63.9 -42.7 53.6 18.6 77.7 90 101 A T H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 112.4 45.6 -59.7 -46.1 53.2 21.5 80.1 91 102 A R H X S+ 0 0 78 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.910 114.5 48.0 -69.8 -42.7 56.9 21.7 80.9 92 103 A L H >< S+ 0 0 1 -4,-2.9 3,-0.6 -5,-0.2 4,-0.5 0.933 110.8 48.3 -66.1 -45.0 58.0 21.5 77.2 93 104 A R H >X S+ 0 0 57 -4,-2.6 4,-1.8 -5,-0.2 3,-1.6 0.873 104.4 61.0 -65.5 -33.1 55.6 24.1 75.8 94 105 A K H 3< S+ 0 0 145 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.820 93.1 66.3 -62.3 -29.4 56.5 26.6 78.5 95 106 A L T << S+ 0 0 22 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.769 119.9 17.4 -63.2 -23.6 60.1 26.5 77.3 96 107 A V T X> S+ 0 0 0 -3,-1.6 3,-1.5 -4,-0.5 4,-0.5 0.473 91.1 101.5-131.9 0.3 59.1 28.2 74.0 97 108 A A G >< S+ 0 0 40 -4,-1.8 3,-1.6 1,-0.3 4,-0.5 0.897 82.8 57.5 -56.1 -37.9 55.6 29.7 74.4 98 109 A R G >4 S+ 0 0 150 -4,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.779 99.8 59.4 -63.0 -25.4 57.2 33.2 74.8 99 110 A E G <4 S+ 0 0 48 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.667 109.6 41.2 -75.6 -14.9 58.9 32.9 71.4 100 111 A F G << S+ 0 0 11 -3,-1.6 248,-0.3 -4,-0.5 -1,-0.2 0.328 77.8 125.4-126.4 4.1 55.6 32.5 69.5 101 112 A T S <> S- 0 0 40 -3,-0.5 4,-2.9 -4,-0.5 5,-0.3 -0.256 74.0-106.7 -60.7 158.3 53.1 35.0 71.0 102 113 A M H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.918 120.4 50.1 -50.7 -46.0 51.4 37.4 68.6 103 114 A R H > S+ 0 0 175 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.926 112.0 44.7 -68.3 -39.5 53.5 40.3 70.0 104 115 A R H 4 S+ 0 0 95 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.946 115.7 49.9 -68.9 -38.9 56.9 38.5 69.6 105 116 A V H >< S+ 0 0 3 -4,-2.9 3,-2.5 1,-0.2 4,-0.3 0.907 100.3 63.9 -64.1 -36.7 55.8 37.3 66.1 106 117 A E H >< S+ 0 0 89 -4,-2.7 3,-2.5 1,-0.3 -1,-0.2 0.896 92.5 63.8 -58.0 -40.1 54.7 40.8 65.2 107 118 A L T 3< S+ 0 0 138 -4,-1.3 4,-0.4 1,-0.3 -1,-0.3 0.686 95.9 59.6 -53.9 -19.0 58.4 41.9 65.5 108 119 A L T <> S+ 0 0 57 -3,-2.5 4,-2.6 -4,-0.3 -1,-0.3 0.571 76.9 97.0 -86.7 -6.9 59.2 39.5 62.6 109 120 A R H <> S+ 0 0 93 -3,-2.5 4,-3.0 -4,-0.3 5,-0.3 0.912 80.4 50.3 -53.6 -50.8 56.8 41.4 60.2 110 121 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.931 115.3 43.7 -52.3 -47.9 59.6 43.6 58.5 111 122 A R H > S+ 0 0 91 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.920 113.6 48.8 -66.5 -36.8 61.7 40.6 57.9 112 123 A V H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.941 112.7 50.4 -66.8 -41.7 58.8 38.4 56.6 113 124 A Q H X S+ 0 0 61 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.893 109.6 51.1 -61.9 -38.8 57.8 41.2 54.3 114 125 A E H X S+ 0 0 118 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.890 109.2 49.1 -68.9 -37.2 61.3 41.5 53.1 115 126 A I H X S+ 0 0 14 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.940 114.2 45.7 -67.8 -43.9 61.5 37.7 52.3 116 127 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.929 108.8 55.6 -64.3 -51.7 58.2 37.7 50.4 117 128 A D H X S+ 0 0 58 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.897 112.3 44.5 -42.4 -46.3 59.1 40.9 48.5 118 129 A G H X S+ 0 0 36 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.823 111.2 51.1 -75.2 -34.4 62.3 39.2 47.3 119 130 A L H X S+ 0 0 36 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.909 113.8 44.6 -70.4 -40.7 60.6 35.9 46.4 120 131 A V H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.946 109.5 55.9 -68.2 -50.2 58.0 37.7 44.3 121 132 A D H X S+ 0 0 82 -4,-2.7 4,-0.8 -5,-0.3 -2,-0.2 0.929 112.2 44.6 -38.9 -55.6 60.6 40.0 42.6 122 133 A A H < S+ 0 0 71 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.844 113.7 49.7 -63.5 -34.5 62.3 36.7 41.6 123 134 A M H >< S+ 0 0 5 -4,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.930 107.4 53.4 -68.7 -46.6 59.0 35.2 40.6 124 135 A L H 3< S+ 0 0 50 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.567 92.0 74.6 -67.7 -13.4 58.0 38.2 38.4 125 136 A A T 3< + 0 0 77 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.1 0.520 64.9 118.4 -78.8 -4.5 61.2 38.1 36.5 126 137 A A X - 0 0 27 -3,-1.7 3,-1.3 1,-0.2 5,-0.0 -0.482 64.0-143.0 -64.3 125.2 60.0 35.0 34.6 127 138 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.892 98.3 47.5 -60.9 -38.9 59.9 36.2 30.8 128 139 A D T 3 S- 0 0 96 2,-0.2 266,-0.2 1,-0.1 268,-0.2 0.465 107.5-123.5 -83.7 0.3 56.7 34.2 30.1 129 140 A G S < S+ 0 0 0 -3,-1.3 265,-2.0 1,-0.2 2,-0.4 0.851 72.8 120.9 61.2 31.5 54.9 35.5 33.2 130 141 A R E +F 393 0C 119 263,-0.2 2,-0.3 -7,-0.1 263,-0.2 -0.978 32.7 161.2-125.8 141.0 54.3 31.8 34.3 131 142 A A E -F 392 0C 19 261,-2.3 261,-2.7 -2,-0.4 2,-0.6 -0.963 43.5-116.1-149.3 162.3 55.4 30.1 37.6 132 143 A D E > -F 391 0C 42 -2,-0.3 4,-2.5 259,-0.2 5,-0.2 -0.949 26.9-156.2 -94.4 116.9 54.9 27.3 39.9 133 144 A L H >>S+ 0 0 1 257,-2.7 5,-2.3 -2,-0.6 4,-1.8 0.828 88.6 60.3 -67.6 -29.1 53.7 29.0 43.1 134 145 A M H 4>S+ 0 0 10 3,-0.2 5,-2.5 1,-0.2 -1,-0.2 0.928 113.8 36.2 -60.2 -45.0 54.8 26.0 45.3 135 146 A E H 45S+ 0 0 122 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.855 120.7 45.2 -76.8 -39.9 58.4 26.4 44.2 136 147 A S H <5S- 0 0 32 -4,-2.5 -1,-0.2 3,-0.1 -2,-0.2 0.726 137.0 -15.8 -82.5 -25.1 58.6 30.2 43.9 137 148 A L T X5S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -3,-0.2 0.546 117.8 66.0-145.2 -51.6 56.9 31.1 47.1 138 149 A A T 4 S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.835 104.8 60.6 -64.7 -28.5 60.7 28.9 50.3 141 152 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.957 107.8 39.5 -61.6 -56.2 59.0 31.4 52.5 142 153 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.935 116.7 50.7 -63.7 -44.8 58.1 29.2 55.6 143 154 A I H X S+ 0 0 7 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.862 110.8 49.4 -59.8 -33.9 61.5 27.4 55.5 144 155 A T H X S+ 0 0 27 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.921 112.8 45.7 -71.7 -46.0 63.4 30.6 55.3 145 156 A V H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.942 117.5 42.9 -59.1 -46.0 61.5 32.2 58.3 146 157 A I H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.853 111.7 54.8 -76.7 -35.8 61.8 29.1 60.5 147 158 A S H X>S+ 0 0 2 -4,-2.2 5,-2.6 -5,-0.3 4,-0.6 0.862 109.9 46.5 -60.9 -42.4 65.5 28.5 59.6 148 159 A E H ><5S+ 0 0 74 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.931 112.9 50.3 -63.3 -46.9 66.4 32.0 60.6 149 160 A L H 3<5S+ 0 0 37 -4,-2.1 53,-2.6 1,-0.3 54,-0.3 0.895 122.0 32.0 -55.6 -46.5 64.5 31.7 63.9 150 161 A L H 3<5S- 0 0 0 -4,-2.3 -1,-0.3 51,-0.2 -2,-0.2 0.381 111.9-114.3 -96.3 -3.6 66.1 28.4 64.8 151 162 A G T <<5 + 0 0 15 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.891 50.4 163.2 69.9 43.8 69.5 29.0 63.2 152 163 A V < - 0 0 2 -5,-2.6 -1,-0.2 -6,-0.1 5,-0.1 -0.837 44.8-114.0 -89.4 121.1 69.6 26.4 60.4 153 164 A P >> - 0 0 53 0, 0.0 3,-2.8 0, 0.0 4,-0.6 -0.324 19.2-119.5 -60.0 135.4 72.4 27.5 58.0 154 165 A E G >4 S+ 0 0 133 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.866 112.4 55.1 -38.7 -44.1 71.3 28.5 54.5 155 166 A P G 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.729 104.5 55.2 -68.0 -14.9 73.3 25.7 52.8 156 167 A D G <4 S+ 0 0 54 -3,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.557 88.1 79.7 -91.2 -11.8 71.7 23.0 55.0 157 168 A R S XX S+ 0 0 34 -3,-1.3 3,-1.2 -4,-0.6 4,-0.8 0.762 73.6 69.8 -75.9 -29.5 68.1 23.9 54.1 158 169 A A H >> S+ 0 0 76 -4,-0.4 4,-1.3 1,-0.3 3,-0.9 0.939 91.9 63.3 -58.0 -49.5 67.7 22.2 50.6 159 170 A A H 3> S+ 0 0 37 -4,-0.3 4,-3.3 1,-0.2 -1,-0.3 0.792 94.1 64.0 -36.7 -37.1 67.8 18.7 52.4 160 171 A F H <> S+ 0 0 2 -3,-1.2 4,-2.8 -4,-0.4 5,-0.3 0.902 97.2 51.4 -68.0 -41.8 64.6 19.6 54.3 161 172 A R H X S+ 0 0 26 -4,-3.3 4,-4.2 1,-0.2 3,-0.8 0.880 115.5 47.9 -62.5 -32.6 63.2 15.0 53.9 164 175 A T H 3<>S+ 0 0 4 -4,-2.8 5,-1.9 1,-0.3 -1,-0.2 0.946 99.8 61.6 -78.1 -44.6 59.6 16.4 54.0 165 176 A D T 3<5S+ 0 0 61 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 0.269 122.2 33.5 -58.2 19.0 58.6 15.1 50.5 166 177 A A T <45S+ 0 0 8 -3,-0.8 -2,-0.3 10,-0.1 -1,-0.2 0.463 118.6 41.8-137.7 -58.5 59.5 12.0 52.6 167 178 A F T <5S+ 0 0 30 -4,-4.2 -3,-0.2 2,-0.2 -2,-0.1 0.980 131.7 27.0 -54.8 -76.5 58.5 12.3 56.4 168 179 A V T 5S+ 0 0 29 1,-0.2 -3,-0.2 -5,-0.1 215,-0.1 0.936 140.2 20.4 -50.8 -65.8 55.2 14.0 55.6 169 180 A F S > S- 0 0 80 -6,-0.1 4,-0.9 1,-0.1 3,-0.5 -0.681 76.2-129.1 170.6 122.0 58.0 4.1 49.8 173 184 A P H >> S+ 0 0 104 0, 0.0 4,-1.5 0, 0.0 3,-1.0 0.910 105.1 51.0 -54.5 -52.2 58.0 3.1 53.5 174 185 A A H 3> S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.773 107.3 56.4 -59.4 -27.5 61.7 2.4 54.0 175 186 A Q H <> S+ 0 0 82 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.716 101.8 54.0 -81.5 -23.5 62.6 5.8 52.5 176 187 A A H X S+ 0 0 7 -4,-2.7 3,-1.7 1,-0.2 4,-0.6 0.972 110.9 48.6 -59.2 -50.4 72.7 20.9 68.1 192 203 A D H >< S+ 0 0 98 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.845 103.5 61.8 -59.6 -36.6 76.3 20.0 68.9 193 204 A S H 3< S+ 0 0 66 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.696 100.5 54.9 -64.9 -16.9 77.6 22.8 66.5 194 205 A K H X< S+ 0 0 29 -3,-1.7 3,-2.2 -4,-0.7 5,-0.4 0.717 79.7 113.1 -84.1 -26.8 75.9 25.4 68.7 195 206 A R T << S- 0 0 89 -3,-1.0 9,-0.0 -4,-0.6 -3,-0.0 -0.323 90.9 -1.2 -60.0 130.6 77.5 24.5 71.9 196 207 A G T 3 S+ 0 0 71 8,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.529 103.4 105.9 72.3 13.1 79.9 27.1 73.2 197 208 A Q S < S- 0 0 137 -3,-2.2 -2,-0.1 7,-0.1 -1,-0.1 0.443 78.5-131.1-105.2 -0.4 79.3 29.4 70.3 198 209 A D + 0 0 137 -4,-0.3 -3,-0.1 1,-0.2 -4,-0.0 0.757 40.7 173.5 57.8 28.9 77.2 32.1 72.0 199 210 A G - 0 0 19 -5,-0.4 -1,-0.2 1,-0.1 -3,-0.1 -0.279 29.7-151.3 -62.4 151.4 74.5 32.1 69.3 200 211 A E + 0 0 195 4,-0.1 -1,-0.1 5,-0.0 -49,-0.0 0.370 61.1 109.0-109.2 2.0 71.4 34.2 69.9 201 212 A D S > S- 0 0 34 1,-0.1 4,-1.6 -51,-0.1 -51,-0.2 -0.245 84.3-103.7 -73.4 169.5 69.1 32.0 67.7 202 213 A L H > S+ 0 0 8 -53,-2.6 4,-2.5 1,-0.2 -52,-0.2 0.855 118.8 53.5 -69.3 -36.3 66.4 29.8 69.4 203 214 A L H > S+ 0 0 1 -54,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.925 107.8 50.3 -64.9 -40.8 68.2 26.6 69.0 204 215 A S H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.866 111.0 50.5 -61.5 -37.5 71.4 28.0 70.7 205 216 A A H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.887 110.9 49.0 -69.3 -39.2 69.1 29.2 73.6 206 217 A L H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.895 107.5 54.7 -67.8 -41.5 67.6 25.7 73.9 207 218 A V H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.929 109.7 46.8 -52.3 -48.5 71.0 24.1 73.9 208 219 A R H X S+ 0 0 89 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.888 110.6 54.2 -66.4 -40.3 72.1 26.3 76.8 209 220 A T H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.952 112.5 42.0 -48.5 -53.4 68.9 25.4 78.6 210 221 A S H < S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 7,-0.2 0.902 115.6 49.3 -65.5 -44.1 69.5 21.8 78.2 211 222 A D H < S+ 0 0 84 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.2 0.861 109.6 52.2 -67.5 -31.6 73.2 22.1 79.1 212 223 A E H < S+ 0 0 159 -4,-2.8 2,-0.2 1,-0.3 -1,-0.2 0.871 132.3 5.0 -71.1 -34.9 72.4 24.2 82.3 213 224 A D >X - 0 0 68 -4,-1.9 3,-1.4 -5,-0.2 4,-1.1 -0.704 56.8-167.0-156.9 105.6 69.9 21.6 83.5 214 225 A G T 34 S+ 0 0 42 -3,-0.3 -3,-0.1 1,-0.3 -4,-0.1 0.622 90.6 60.8 -65.9 -18.9 69.2 18.2 81.9 215 226 A S T 34 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.728 102.7 51.8 -81.8 -20.8 66.0 17.7 83.9 216 227 A R T <4 S+ 0 0 123 -3,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.865 134.1 1.6 -79.9 -32.7 64.4 20.8 82.5 217 228 A L S < S- 0 0 0 -4,-1.1 -1,-0.3 -8,-0.2 -4,-0.2 -0.844 79.2-148.0-156.1 103.2 65.1 19.7 78.8 218 229 A T > - 0 0 41 -2,-0.3 4,-2.6 -3,-0.2 3,-0.3 -0.341 29.3-107.7 -71.8 164.6 66.7 16.4 78.2 219 230 A S H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.900 123.2 50.5 -60.1 -38.9 69.1 15.8 75.2 220 231 A E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -141,-0.3 0.842 112.5 47.2 -58.3 -40.5 66.3 13.7 73.6 221 232 A E H > S+ 0 0 12 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.780 107.5 56.4 -74.8 -29.5 63.7 16.5 74.2 222 233 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.940 111.1 42.3 -66.6 -46.8 66.2 19.0 72.8 223 234 A L H X S+ 0 0 14 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.920 114.7 53.0 -65.3 -42.3 66.4 17.0 69.6 224 235 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -145,-0.2 -2,-0.2 0.832 108.7 49.5 -57.0 -38.6 62.6 16.5 69.7 225 236 A M H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.898 110.3 48.8 -73.1 -42.2 62.0 20.2 70.0 226 237 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.923 114.5 48.7 -58.4 -44.1 64.3 21.2 67.1 227 238 A H H X S+ 0 0 29 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.950 112.4 44.1 -62.9 -54.1 62.5 18.6 65.0 228 239 A I H X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.906 114.3 48.7 -64.1 -40.8 58.9 19.5 65.8 229 240 A L H X S+ 0 0 16 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.879 116.5 44.3 -67.1 -33.8 59.5 23.3 65.4 230 241 A L H < S+ 0 0 2 -4,-1.8 4,-0.4 -5,-0.2 -2,-0.2 0.886 118.2 39.4 -79.0 -45.0 61.3 22.8 62.1 231 242 A V H >X S+ 0 0 18 -4,-2.8 3,-1.9 -5,-0.2 4,-1.2 0.923 96.9 79.7 -71.5 -47.1 58.9 20.3 60.4 232 243 A A H >X S+ 0 0 51 -4,-2.2 3,-0.9 -5,-0.3 4,-0.8 0.790 101.9 34.0 -30.6 -66.7 55.6 21.8 61.6 233 244 A G H 3<>S+ 0 0 18 -4,-0.6 5,-1.7 1,-0.2 -1,-0.3 0.643 107.0 68.0 -66.2 -17.9 55.4 24.6 59.0 234 245 A H H <45S+ 0 0 5 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.837 113.0 33.2 -69.0 -29.2 57.0 22.6 56.1 235 246 A E H <<5S+ 0 0 7 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.598 133.8 26.8 -95.7 -19.0 54.0 20.5 56.1 236 247 A T T X5S+ 0 0 39 -4,-0.8 4,-2.5 -5,-0.3 -3,-0.2 0.846 116.1 42.6-117.2 -58.7 51.5 23.1 57.0 237 248 A T H >5S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 113.0 56.5 -62.2 -40.3 52.2 26.8 56.2 238 249 A V H > S+ 0 0 5 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.817 108.8 55.5 -74.5 -28.7 50.1 24.1 52.1 240 251 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.917 110.5 46.7 -64.9 -41.2 48.0 26.8 53.6 241 252 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.944 119.8 39.7 -67.9 -46.5 49.6 29.3 51.2 242 253 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.953 119.0 44.4 -69.2 -47.5 49.2 27.0 48.2 243 254 A N H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.884 115.9 50.1 -59.9 -39.1 45.7 25.6 49.1 244 255 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.2 0.885 110.2 47.2 -70.7 -39.1 44.5 29.1 49.9 245 256 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.903 112.3 51.3 -70.6 -35.1 45.7 30.7 46.7 246 257 A Y H X S+ 0 0 33 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 107.6 53.7 -62.7 -47.3 44.1 27.8 44.8 247 258 A A H < S+ 0 0 1 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.922 113.7 41.8 -48.4 -51.5 40.9 28.5 46.7 248 259 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 7,-0.6 0.901 114.4 49.6 -68.4 -42.8 41.0 32.2 45.6 249 260 A L H 3< S+ 0 0 6 -4,-2.8 120,-0.4 1,-0.2 -1,-0.2 0.781 112.7 48.7 -68.2 -25.2 42.1 31.5 42.0 250 261 A S T 3< S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.384 110.5 51.6 -98.8 2.6 39.3 28.9 41.6 251 262 A H S X> S+ 0 0 42 -3,-0.9 4,-2.0 -4,-0.4 3,-1.9 -0.601 70.6 177.1-133.1 70.9 36.6 31.2 43.0 252 263 A P H 3> S+ 0 0 23 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.694 76.6 57.6 -48.4 -34.8 37.2 34.3 40.8 253 264 A D H 3> S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.832 107.6 47.5 -71.7 -32.5 34.4 36.3 42.4 254 265 A Q H <> S+ 0 0 11 -3,-1.9 4,-2.3 2,-0.2 5,-0.2 0.923 112.1 50.8 -71.5 -44.4 36.0 35.9 45.8 255 266 A L H X S+ 0 0 15 -4,-2.0 4,-2.6 -7,-0.6 -2,-0.2 0.947 110.1 49.1 -52.4 -46.8 39.3 36.9 44.4 256 267 A A H X S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.955 110.2 51.6 -60.1 -50.9 37.6 40.0 42.8 257 268 A A H X S+ 0 0 22 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.865 110.1 49.1 -50.9 -43.3 35.9 40.9 46.2 258 269 A L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 6,-0.2 0.887 110.1 50.9 -70.5 -37.9 39.2 40.7 48.0 259 270 A R H < S+ 0 0 91 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.897 110.0 50.3 -61.3 -40.6 40.9 42.9 45.3 260 271 A A H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.720 128.2 21.2 -69.4 -25.1 38.1 45.5 45.7 261 272 A D >< - 0 0 65 -4,-1.3 3,-2.4 -5,-0.2 -1,-0.3 -0.592 59.2-179.8-150.6 87.7 38.6 45.5 49.5 262 273 A M G > S+ 0 0 31 -3,-0.4 3,-1.3 1,-0.3 4,-0.2 0.494 77.6 80.4 -63.6 -4.4 41.9 44.2 51.0 263 274 A T G 3 S+ 0 0 117 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.682 84.0 65.6 -75.1 -13.9 40.5 44.9 54.5 264 275 A L G <> S+ 0 0 29 -3,-2.4 4,-2.1 -6,-0.2 -1,-0.2 0.429 75.5 99.3 -74.4 -2.4 38.8 41.5 53.9 265 276 A L H <> S+ 0 0 5 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 0.923 77.4 47.8 -62.2 -49.5 42.3 39.8 53.8 266 277 A D H > S+ 0 0 78 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.912 113.4 49.4 -59.2 -45.3 42.4 38.4 57.4 267 278 A G H > S+ 0 0 33 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.841 108.5 53.5 -56.6 -36.9 38.9 37.0 57.0 268 279 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.914 107.1 50.9 -67.0 -46.2 39.9 35.4 53.6 269 280 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.914 110.1 50.7 -55.1 -43.8 42.9 33.7 55.3 270 281 A E H X S+ 0 0 22 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.917 110.6 48.3 -59.1 -42.1 40.6 32.3 58.0 271 282 A E H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.832 106.2 57.2 -75.1 -27.3 38.2 31.0 55.4 272 283 A M H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.937 109.8 46.6 -62.0 -38.8 41.2 29.4 53.5 273 284 A L H X S+ 0 0 3 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.908 116.9 42.9 -63.3 -46.2 41.9 27.6 56.8 274 285 A R H < S+ 0 0 1 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.952 120.9 39.2 -66.2 -47.9 38.3 26.5 57.2 275 286 A Y H < S- 0 0 34 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.937 140.5 -3.0 -77.0 -48.5 37.6 25.5 53.6 276 287 A E H < S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 -0.237 77.0 168.3-145.5 55.8 40.8 23.9 52.7 277 288 A G < - 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0 0 0 -3,-1.1 -23,-0.0 -22,-0.2 -5,-0.0 -0.915 61.6-146.3-138.1 164.7 21.5 14.1 -0.3 480 96 B D > - 0 0 37 -2,-0.3 4,-2.0 -24,-0.1 3,-0.4 -0.825 49.8 -47.2-120.9 161.7 24.2 15.0 -2.9 481 97 B P T 4 S+ 0 0 72 0, 0.0 -1,-0.0 0, 0.0 2,-0.0 -0.424 119.4 35.8 -57.8 146.1 23.9 17.6 -5.8 482 98 B P T > S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.957 130.5 36.6 -81.9 -20.2 21.7 18.1 -7.7 483 99 B R H > S+ 0 0 34 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.902 118.4 51.0 -63.1 -38.1 19.1 17.2 -5.1 484 100 B H H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.907 110.1 51.9 -60.0 -38.0 21.1 18.8 -2.2 485 101 B T H > S+ 0 0 57 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.908 111.6 44.4 -68.8 -44.9 21.4 22.0 -4.3 486 102 B R H X S+ 0 0 79 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.926 115.4 48.1 -65.7 -48.8 17.6 22.3 -5.0 487 103 B L H >< S+ 0 0 0 -4,-2.5 3,-0.6 -5,-0.2 4,-0.5 0.902 110.9 48.1 -62.2 -43.7 16.6 21.5 -1.3 488 104 B R H >X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 3,-1.3 0.848 104.9 60.7 -70.2 -35.4 19.0 23.9 0.3 489 105 B K H 3< S+ 0 0 144 -4,-1.5 4,-0.4 1,-0.3 -1,-0.2 0.792 94.0 66.0 -61.4 -26.7 17.9 26.9 -2.1 490 106 B L T << S+ 0 0 16 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.805 120.0 16.9 -63.7 -30.3 14.4 26.6 -0.8 491 107 B V T X> S+ 0 0 0 -3,-1.3 3,-1.8 -4,-0.5 4,-0.7 0.477 92.3 101.3-121.6 -4.1 15.5 27.7 2.7 492 108 B A G >< S+ 0 0 40 -4,-1.9 3,-1.5 1,-0.3 4,-0.2 0.872 82.4 54.8 -52.7 -40.9 18.9 29.4 2.4 493 109 B R G >4 S+ 0 0 151 -4,-0.4 3,-0.6 1,-0.3 -1,-0.3 0.729 100.7 61.5 -66.4 -22.7 17.4 33.0 2.5 494 110 B E G <4 S+ 0 0 64 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.721 108.2 42.3 -77.7 -17.8 15.6 32.2 5.8 495 111 B F G << S+ 0 0 14 -3,-1.5 248,-0.2 -4,-0.7 -1,-0.2 0.223 79.2 125.1-119.0 16.0 18.9 31.5 7.7 496 112 B T S <> S- 0 0 35 -3,-0.6 4,-3.0 -4,-0.2 5,-0.2 -0.291 72.9-108.2 -69.8 161.0 21.3 34.2 6.6 497 113 B M H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.924 119.1 48.6 -52.5 -45.7 23.1 36.3 9.2 498 114 B R H > S+ 0 0 184 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.911 113.9 45.3 -70.9 -38.9 21.0 39.4 8.2 499 115 B R H >4 S+ 0 0 92 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.913 113.3 51.2 -66.9 -37.1 17.7 37.6 8.3 500 116 B V H >< S+ 0 0 3 -4,-3.0 3,-1.9 1,-0.2 4,-0.4 0.892 100.3 64.2 -68.0 -32.0 18.7 35.9 11.7 501 117 B E H >< S+ 0 0 89 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.800 90.0 65.0 -69.7 -25.8 19.6 39.2 13.2 502 118 B L T << S+ 0 0 137 -4,-0.8 4,-0.3 -3,-0.7 -1,-0.3 0.723 97.2 58.5 -63.5 -22.2 15.9 40.4 12.9 503 119 B L T <> S+ 0 0 45 -3,-1.9 4,-3.4 -4,-0.4 5,-0.3 0.600 77.4 98.2 -78.6 -13.0 15.2 37.6 15.4 504 120 B R H <> S+ 0 0 92 -3,-1.2 4,-3.6 -4,-0.4 5,-0.2 0.883 81.6 46.9 -41.8 -55.6 17.5 39.2 18.0 505 121 B P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.912 116.4 45.3 -59.2 -41.0 14.8 41.0 20.0 506 122 B R H > S+ 0 0 91 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.946 114.4 46.6 -68.3 -44.7 12.6 38.0 20.1 507 123 B V H X S+ 0 0 1 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.952 112.8 52.0 -61.2 -43.6 15.5 35.7 21.0 508 124 B Q H X S+ 0 0 64 -4,-3.6 4,-2.6 -5,-0.3 -2,-0.2 0.909 109.9 50.1 -57.5 -38.7 16.5 38.4 23.7 509 125 B E H X S+ 0 0 116 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.915 109.3 49.5 -68.9 -43.1 13.0 38.3 25.1 510 126 B I H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.933 114.4 44.2 -60.2 -48.5 12.8 34.5 25.4 511 127 B V H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.947 112.2 53.6 -65.6 -45.6 16.2 34.3 27.2 512 128 B D H X S+ 0 0 62 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.902 112.1 45.6 -48.8 -50.4 15.2 37.3 29.5 513 129 B G H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.899 113.4 48.3 -62.4 -44.8 12.0 35.4 30.4 514 130 B L H X S+ 0 0 40 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.869 114.1 45.0 -66.4 -41.2 13.7 32.1 31.0 515 131 B V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.915 109.6 56.8 -70.0 -41.4 16.5 33.6 33.2 516 132 B D H X S+ 0 0 82 -4,-2.5 4,-0.6 -5,-0.3 -2,-0.2 0.935 111.9 43.9 -48.4 -50.3 13.8 35.7 35.1 517 133 B A H >< S+ 0 0 68 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.863 111.5 51.7 -66.3 -34.5 12.1 32.4 35.9 518 134 B M H >< S+ 0 0 9 -4,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.886 106.1 56.3 -72.8 -33.3 15.3 30.6 36.7 519 135 B L H 3< S+ 0 0 50 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.593 87.7 77.2 -72.5 -13.7 16.2 33.5 39.1 520 136 B A T << + 0 0 79 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.609 66.1 116.7 -69.7 -13.5 13.0 33.0 41.1 521 137 B A X - 0 0 26 -3,-1.3 3,-1.9 -4,-0.2 -3,-0.0 -0.427 59.3-152.4 -63.1 116.4 14.6 30.0 42.7 522 138 B P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 269,-0.1 0.905 96.1 47.5 -62.9 -41.3 14.8 30.7 46.5 523 139 B D T 3 S- 0 0 98 2,-0.1 266,-0.1 1,-0.1 3,-0.1 0.304 110.9-123.3 -76.0 14.9 17.9 28.5 47.1 524 140 B G S < S+ 0 0 1 -3,-1.9 265,-2.0 1,-0.2 2,-0.3 0.889 70.5 127.3 37.1 48.3 19.5 30.1 44.0 525 141 B R E +P 788 0I 120 263,-0.2 2,-0.3 -7,-0.1 263,-0.2 -0.899 26.9 151.8-124.6 159.8 19.9 26.6 42.4 526 142 B A E -P 787 0I 22 261,-1.9 261,-3.1 -2,-0.3 2,-0.7 -0.957 47.8-109.6-173.0 157.7 18.8 25.1 39.0 527 143 B D E > -P 786 0I 35 -2,-0.3 4,-2.9 259,-0.2 5,-0.2 -0.920 28.5-155.2 -93.9 111.0 19.5 22.6 36.3 528 144 B L H >>S+ 0 0 1 257,-2.4 5,-2.3 -2,-0.7 4,-2.1 0.811 91.3 58.2 -58.3 -30.5 20.7 24.8 33.4 529 145 B M H 4>S+ 0 0 4 3,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.944 113.5 35.9 -63.4 -49.6 19.6 22.2 30.9 530 146 B E H 45S+ 0 0 129 1,-0.2 -2,-0.2 4,-0.1 -1,-0.2 0.877 123.5 44.4 -72.5 -34.4 15.9 22.3 32.0 531 147 B S H <5S- 0 0 29 -4,-2.9 -2,-0.2 3,-0.1 -1,-0.2 0.765 136.2 -14.1 -82.9 -29.5 15.9 26.0 32.7 532 148 B L T X5S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -3,-0.2 0.580 119.7 60.8-139.2 -56.4 17.7 27.4 29.7 533 149 B A T 4 S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.770 104.6 62.5 -59.4 -32.1 13.8 25.4 26.2 536 152 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.1 0.960 107.3 39.5 -63.6 -54.7 15.5 28.3 24.4 537 153 B P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.893 115.9 50.5 -64.5 -40.9 16.3 26.6 21.0 538 154 B I H X S+ 0 0 8 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.917 110.5 51.4 -63.0 -37.0 12.9 24.7 20.8 539 155 B T H X S+ 0 0 27 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.942 112.7 44.7 -64.0 -47.7 11.0 27.9 21.5 540 156 B V H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 3,-0.3 0.972 118.1 41.3 -62.0 -54.9 12.9 29.8 18.7 541 157 B I H X S+ 0 0 15 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.873 111.7 56.6 -67.9 -33.6 12.6 27.0 16.0 542 158 B S H <>S+ 0 0 2 -4,-2.6 5,-2.4 -5,-0.3 4,-0.3 0.892 107.8 48.5 -62.1 -38.2 9.0 26.2 17.0 543 159 B E H ><5S+ 0 0 73 -4,-1.9 3,-0.7 -3,-0.3 -2,-0.2 0.928 114.3 47.6 -70.3 -36.4 8.1 29.9 16.3 544 160 B L H 3<5S+ 0 0 42 -4,-2.1 53,-2.6 1,-0.2 54,-0.5 0.926 119.3 36.8 -62.8 -45.5 9.9 29.7 13.0 545 161 B L T 3<5S- 0 0 0 -4,-3.3 -1,-0.2 52,-0.2 -2,-0.2 0.265 110.9-115.1-101.8 14.4 8.4 26.4 11.9 546 162 B G T < 5 + 0 0 14 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.868 52.3 164.2 61.7 40.0 5.0 27.1 13.3 547 163 B V < - 0 0 0 -5,-2.4 -1,-0.2 -6,-0.2 5,-0.1 -0.823 41.2-119.7 -92.0 116.7 4.9 24.2 15.9 548 164 B P >> - 0 0 55 0, 0.0 3,-2.6 0, 0.0 4,-0.5 -0.314 21.7-116.5 -58.4 136.4 2.0 25.0 18.4 549 165 B E G >4 S+ 0 0 132 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.809 111.9 54.6 -40.2 -46.9 3.2 25.4 22.0 550 166 B P G 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.616 105.0 54.6 -73.9 -9.8 1.3 22.4 23.4 551 167 B D G <4 S+ 0 0 54 -3,-2.6 4,-0.4 1,-0.1 -2,-0.2 0.470 90.4 81.1 -89.3 -9.5 2.9 20.1 20.8 552 168 B R S XX S+ 0 0 45 -3,-1.7 3,-1.1 -4,-0.5 4,-0.7 0.808 78.6 59.8 -76.9 -29.7 6.4 21.1 21.8 553 169 B A H >> S+ 0 0 75 -4,-0.4 4,-1.3 1,-0.3 3,-0.8 0.874 92.4 67.3 -72.2 -33.9 7.1 19.0 24.9 554 170 B A H 3> S+ 0 0 43 -4,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.831 94.9 62.2 -49.0 -30.0 6.6 15.8 23.0 555 171 B F H <> S+ 0 0 2 -3,-1.1 4,-3.0 -4,-0.4 5,-0.3 0.869 94.9 56.1 -71.2 -34.8 9.9 16.8 21.1 556 172 B R H X S+ 0 0 6 -4,-3.0 4,-3.1 1,-0.2 3,-1.0 0.970 108.2 53.1 -53.1 -53.4 15.2 13.9 21.2 560 176 B D H 3X S+ 0 0 52 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.870 109.7 50.3 -47.6 -36.8 15.9 11.9 24.4 561 177 B A H 3< S+ 0 0 8 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.732 114.8 41.3 -79.5 -22.9 15.0 8.8 22.4 562 178 B F H << S+ 0 0 35 -4,-1.5 -2,-0.2 -3,-1.0 -1,-0.2 0.823 124.0 38.3 -85.5 -35.8 17.3 9.6 19.4 563 179 B V H < S+ 0 0 3 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.916 134.1 14.1 -84.9 -50.7 20.2 10.8 21.7 564 180 B F S < S- 0 0 46 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.1 -0.511 78.9-175.8-128.5 71.0 20.1 8.3 24.6 565 181 B P - 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