==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-MAR-12 4E2D . COMPND 2 MOLECULE: OLD YELLOW PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR M.T.MURAKAMI,N.C.RODRIGUES,L.M.GAVA,F.CANDURI,G.OLIVA,L.R.S. . 1507 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 941 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 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 . 80 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 377 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.9 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 7 4 9 2 4 8 0 0 4 0 4 0 4 0 0 3 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 8 12 8 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 . 5 3 4 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 . 11 0 0 0 0 0 0 0 4 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 2 A A 0 0 129 0, 0.0 349,-0.1 0, 0.0 348,-0.1 0.000 360.0 360.0 360.0 133.7 6.7 0.1 29.7 2 3 A T + 0 0 54 347,-0.4 347,-0.1 1,-0.3 348,-0.1 0.911 360.0 4.6 -56.8 -56.9 6.6 3.1 27.3 3 4 A F S > S+ 0 0 13 1,-0.1 4,-2.2 345,-0.1 -1,-0.3 -0.665 74.9 174.3-133.4 79.4 6.6 1.3 24.0 4 5 A P T 4 S+ 0 0 43 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.781 76.7 46.5 -63.8 -34.6 6.4 -2.4 24.9 5 6 A E T 4 S+ 0 0 46 2,-0.2 3,-0.5 1,-0.2 15,-0.1 0.875 114.9 46.9 -75.9 -31.9 6.0 -3.9 21.4 6 7 A L T 4 S+ 0 0 0 1,-0.2 14,-2.6 -3,-0.2 -1,-0.2 0.835 112.7 49.1 -79.9 -33.7 8.8 -1.7 19.9 7 8 A L S < S+ 0 0 28 -4,-2.2 -1,-0.2 12,-0.2 -2,-0.2 0.460 88.6 109.1 -82.7 -1.6 11.2 -2.5 22.8 8 9 A R S S- 0 0 113 -3,-0.5 9,-0.1 -4,-0.4 12,-0.0 -0.477 76.4-101.4 -80.2 143.2 10.7 -6.3 22.6 9 10 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.079 36.6-155.0 -55.9 161.4 13.4 -8.7 21.3 10 11 A L E -A 17 0A 14 7,-1.4 7,-3.5 9,-0.2 2,-0.6 -0.963 16.8-130.3-147.1 127.1 13.1 -10.1 17.8 11 12 A K E +A 16 0A 156 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.666 34.0 173.8 -72.3 121.0 14.4 -13.2 16.1 12 13 A L E > -A 15 0A 0 3,-2.4 3,-2.7 -2,-0.6 2,-0.1 -0.959 57.8 -53.6-137.9 114.7 16.1 -12.0 12.8 13 14 A G T 3 S- 0 0 25 267,-0.5 231,-0.2 -2,-0.4 230,-0.1 -0.369 122.3 -18.7 50.7-120.9 18.0 -14.6 10.8 14 15 A R T 3 S+ 0 0 127 229,-1.4 -1,-0.3 -2,-0.1 2,-0.2 0.422 128.1 77.6 -92.1 1.3 20.5 -16.3 13.1 15 16 A Y E < -A 12 0A 38 -3,-2.7 -3,-2.4 228,-0.3 2,-0.5 -0.608 66.5-142.6-107.5 165.4 20.3 -13.4 15.7 16 17 A T E -A 11 0A 97 -5,-0.2 -5,-0.3 -2,-0.2 2,-0.2 -0.983 25.9-142.7-120.7 115.8 17.9 -12.3 18.4 17 18 A L E -A 10 0A 1 -7,-3.5 -7,-1.4 -2,-0.5 37,-0.1 -0.521 10.7-132.8 -71.0 146.7 17.8 -8.5 18.4 18 19 A R S S- 0 0 103 36,-0.4 2,-0.3 -9,-0.2 -1,-0.1 0.753 85.5 -8.1 -65.5 -22.2 17.6 -6.8 21.9 19 20 A N - 0 0 4 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.957 70.0-106.6-167.1 168.0 14.8 -4.5 20.6 20 21 A R S S+ 0 0 32 -14,-2.6 312,-1.9 -2,-0.3 2,-1.0 0.108 77.6 113.1 -98.7 21.6 12.9 -3.5 17.3 21 22 A I E -b 332 0B 0 310,-0.2 33,-1.9 -15,-0.1 34,-0.6 -0.806 52.1-167.5 -96.5 101.8 14.5 -0.1 17.0 22 23 A I E -bc 333 55B 0 310,-2.8 312,-2.7 -2,-1.0 2,-0.8 -0.683 20.3-130.7 -96.0 138.7 16.6 -0.4 13.9 23 24 A M E -bc 334 56B 1 32,-2.9 34,-1.9 -2,-0.3 312,-0.2 -0.812 28.3-134.7 -88.6 114.0 19.2 2.1 12.7 24 25 A A - 0 0 2 310,-2.2 2,-0.3 -2,-0.8 33,-0.1 -0.152 29.8 -91.7 -59.3 153.6 18.6 2.9 9.0 25 26 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.559 49.8-173.1 -72.0 134.4 21.6 2.9 6.5 26 27 A L - 0 0 29 31,-0.3 33,-0.4 -2,-0.3 2,-0.4 -0.886 21.1-143.5-144.2 105.2 22.9 6.5 6.3 27 28 A T + 0 0 26 -2,-0.4 46,-0.1 1,-0.1 34,-0.0 -0.528 29.1 162.0 -64.2 119.6 25.5 7.8 4.0 28 29 A R - 0 0 3 -2,-0.4 337,-0.5 44,-0.1 -1,-0.1 0.380 44.4-128.7-125.4 -4.7 27.6 10.3 5.9 29 30 A C + 0 0 0 1,-0.1 2,-0.3 335,-0.1 44,-0.1 0.739 56.1 143.3 66.1 36.1 30.7 10.4 3.5 30 31 A Q + 0 0 3 2,-0.0 9,-2.2 6,-0.0 2,-0.3 -0.297 40.7 96.5-102.1 45.1 33.5 9.8 6.2 31 32 A A B S-K 38 0C 3 41,-1.6 2,-0.2 -2,-0.3 5,-0.1 -0.812 84.9 -85.0-120.3 171.6 35.8 7.7 4.0 32 33 A T > - 0 0 50 5,-2.2 4,-1.3 -2,-0.3 5,-0.1 -0.505 25.6-135.8 -78.5 141.8 38.8 8.8 2.0 33 34 A E T 4 S+ 0 0 85 -2,-0.2 -1,-0.1 2,-0.1 40,-0.1 0.793 100.0 52.1 -61.6 -28.0 38.3 10.2 -1.6 34 35 A D T 4 S+ 0 0 149 1,-0.1 -1,-0.1 3,-0.1 32,-0.1 0.983 130.2 4.5 -76.7 -62.9 41.2 8.1 -2.9 35 36 A G T 4 S- 0 0 27 2,-0.1 40,-0.2 30,-0.0 -2,-0.1 0.284 91.9-119.6-113.1 10.0 40.6 4.5 -1.8 36 37 A H < + 0 0 2 -4,-1.3 39,-2.0 1,-0.2 -3,-0.1 0.898 54.9 166.9 54.2 41.5 37.2 4.9 -0.2 37 38 A V - 0 0 29 37,-0.2 -5,-2.2 -5,-0.1 -1,-0.2 -0.782 42.4-108.7 -88.8 133.0 38.7 3.7 3.1 38 39 A P B -K 31 0C 4 0, 0.0 2,-1.4 0, 0.0 -7,-0.2 -0.307 25.0-126.5 -57.8 135.4 36.7 4.2 6.2 39 40 A R >> - 0 0 94 -9,-2.2 4,-2.3 1,-0.2 3,-0.9 -0.761 27.0-164.2 -85.5 94.6 38.2 7.0 8.4 40 41 A T H 3> S+ 0 0 19 -2,-1.4 4,-2.6 1,-0.3 5,-0.4 0.824 77.0 67.5 -53.3 -38.5 38.3 4.8 11.5 41 42 A E H 3> S+ 0 0 179 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.890 116.2 22.4 -52.5 -48.4 38.8 7.7 13.9 42 43 A S H <> S+ 0 0 17 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.904 122.5 52.5 -85.9 -46.2 35.4 9.1 13.3 43 44 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 -13,-0.3 5,-0.3 0.860 106.4 54.7 -65.4 -35.1 33.3 6.1 12.0 44 45 A L H X S+ 0 0 44 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.960 112.7 42.8 -62.3 -48.7 34.3 3.9 14.9 45 46 A K H X S+ 0 0 87 -4,-0.8 4,-2.4 -5,-0.4 -2,-0.2 0.933 113.5 53.0 -59.7 -49.5 33.0 6.5 17.4 46 47 A Y H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.935 117.1 35.3 -52.6 -55.1 29.9 7.3 15.4 47 48 A Y H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 4,-0.2 0.887 114.9 54.4 -71.3 -39.9 28.8 3.6 15.2 48 49 A E H >< S+ 0 0 57 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.891 104.7 56.3 -63.8 -32.9 29.9 2.5 18.6 49 50 A D T 3< S+ 0 0 54 -4,-2.4 -1,-0.3 1,-0.2 3,-0.2 0.692 110.5 45.5 -67.8 -18.4 27.9 5.4 20.1 50 51 A R T X S+ 0 0 3 -3,-1.2 3,-1.9 -4,-0.4 -1,-0.2 0.253 77.4 112.3-109.0 12.0 24.8 3.9 18.4 51 52 A A T < + 0 0 2 -3,-1.3 -1,-0.1 1,-0.3 47,-0.1 0.458 58.7 77.1 -71.2 -3.0 25.4 0.3 19.3 52 53 A S T 3 S+ 0 0 26 290,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.679 72.7 110.9 -75.5 -18.0 22.3 0.1 21.6 53 54 A A S < S- 0 0 1 -3,-1.9 45,-0.5 289,-0.2 -35,-0.2 -0.209 84.6-116.6 -47.3 143.4 20.1 -0.1 18.5 54 55 A G S S- 0 0 0 -33,-1.9 -36,-0.4 1,-0.2 2,-0.3 0.882 97.6 -11.8 -42.6 -46.4 18.4 -3.4 17.8 55 56 A L E -c 22 0B 0 -34,-0.6 -32,-2.9 -38,-0.1 2,-0.5 -0.954 66.6-138.5-158.0 139.4 20.5 -3.6 14.7 56 57 A I E -cd 23 99B 1 42,-2.9 44,-2.6 -2,-0.3 2,-0.7 -0.898 7.7-158.7 -99.0 131.8 22.7 -1.2 12.9 57 58 A I E - d 0 100B 1 -34,-1.9 -31,-0.3 -2,-0.5 44,-0.2 -0.944 24.1-138.8-102.9 108.6 22.5 -1.2 9.1 58 59 A A E - d 0 101B 0 42,-3.3 44,-1.3 -2,-0.7 3,-0.1 -0.327 32.2 -81.3 -67.1 152.2 25.8 0.5 8.1 59 60 A E E - 0 0 0 -33,-0.4 43,-0.3 1,-0.2 -1,-0.1 0.022 61.2 -70.5 -49.4 152.9 25.8 3.0 5.2 60 61 A A E - 0 0 1 43,-0.1 2,-0.4 41,-0.1 43,-0.2 -0.247 57.2-166.8 -47.0 120.7 25.8 2.1 1.5 61 62 A T E - d 0 103B 0 41,-1.7 43,-1.9 -3,-0.1 14,-0.3 -0.982 21.4-106.7-123.8 130.3 29.2 0.8 0.8 62 63 A M E -ed 75 104B 2 12,-2.5 14,-1.9 -2,-0.4 15,-0.2 -0.156 25.3-177.2 -58.3 140.8 30.7 0.3 -2.7 63 64 A V S S+ 0 0 2 41,-1.4 -1,-0.1 12,-0.2 42,-0.1 0.702 71.2 64.9-104.1 -28.4 31.1 -3.2 -4.3 64 65 A Q S > S- 0 0 4 40,-0.4 3,-1.8 3,-0.2 -1,-0.1 -0.831 98.1-102.2-100.5 127.0 32.8 -2.1 -7.6 65 66 A P T 3 S- 0 0 43 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.234 97.2 -11.1 -48.7 126.8 36.2 -0.4 -7.4 66 67 A N T 3 S+ 0 0 53 1,-0.2 2,-2.1 61,-0.1 52,-0.1 0.383 88.0 134.9 66.4 2.5 35.9 3.4 -7.8 67 68 A Y < + 0 0 7 -3,-1.8 39,-0.5 43,-0.1 2,-0.4 -0.563 37.6 176.1 -84.3 80.0 32.3 3.4 -8.8 68 69 A T + 0 0 1 -2,-2.1 43,-2.5 43,-0.2 47,-0.2 -0.724 30.1 169.1 -99.2 133.6 31.5 6.3 -6.5 69 70 A G S S+ 0 0 4 -2,-0.4 -1,-0.1 41,-0.3 -2,-0.0 0.504 86.1 39.1-105.6 -16.5 28.1 7.9 -6.2 70 71 A F S S- 0 0 6 41,-0.1 2,-2.8 1,-0.0 78,-0.1 0.195 96.0-129.7-128.5 10.2 28.8 9.9 -3.1 71 72 A L S S+ 0 0 6 1,-0.2 -35,-0.1 -38,-0.1 76,-0.1 -0.284 98.5 34.0 75.5 -57.5 32.4 11.1 -3.6 72 73 A T S S+ 0 0 6 -2,-2.8 -41,-1.6 -36,-0.1 -1,-0.2 -0.198 81.6 130.1-126.5 47.5 33.6 9.9 -0.2 73 74 A E - 0 0 2 -43,-0.1 -12,-0.1 -44,-0.1 2,-0.1 -0.540 58.8-104.0 -90.2 160.9 31.6 6.7 0.7 74 75 A P - 0 0 0 0, 0.0 -12,-2.5 0, 0.0 2,-0.3 -0.374 27.9-147.7 -81.0 162.8 33.4 3.6 1.9 75 76 A G B -e 62 0B 0 -39,-2.0 -12,-0.2 -14,-0.3 -40,-0.0 -0.747 13.1-156.8-115.5 173.3 34.0 0.4 -0.1 76 77 A I S S+ 0 0 0 -14,-1.9 106,-0.1 -2,-0.3 105,-0.1 0.026 75.2 86.7-133.2 23.1 34.2 -3.2 0.9 77 78 A Y S S+ 0 0 50 -15,-0.2 2,-0.3 104,-0.1 -14,-0.1 0.609 76.7 65.5 -98.9 -14.1 36.3 -4.4 -2.1 78 79 A S S > S- 0 0 32 -43,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.746 78.1-123.6-118.1 160.4 39.9 -3.8 -0.9 79 80 A D H > S+ 0 0 131 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.862 113.1 56.3 -70.3 -33.8 42.1 -5.2 1.9 80 81 A A H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.887 108.7 46.9 -57.7 -48.5 42.6 -1.6 3.2 81 82 A Q H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.940 110.3 52.1 -60.6 -52.3 38.8 -1.1 3.6 82 83 A I H X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.818 106.0 55.4 -53.4 -41.0 38.3 -4.5 5.3 83 84 A E H X S+ 0 0 81 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.891 111.1 42.8 -64.5 -37.0 40.9 -3.8 7.9 84 85 A E H X S+ 0 0 41 -4,-1.3 4,-1.6 -3,-0.4 3,-0.3 0.933 114.0 50.8 -78.7 -41.9 39.3 -0.5 9.0 85 86 A W H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.867 102.6 60.4 -56.2 -40.3 35.8 -2.0 8.9 86 87 A R H X S+ 0 0 83 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.906 106.3 47.9 -58.1 -40.3 37.0 -4.9 11.1 87 88 A K H X S+ 0 0 82 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.845 112.3 48.9 -67.0 -36.5 37.9 -2.3 13.8 88 89 A I H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.914 112.3 46.8 -69.3 -46.3 34.6 -0.6 13.5 89 90 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.910 108.8 55.7 -62.1 -46.4 32.6 -3.9 13.8 90 91 A D H X S+ 0 0 81 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.908 106.0 52.2 -52.9 -43.4 34.7 -5.0 16.8 91 92 A A H X S+ 0 0 11 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.914 110.4 46.6 -64.7 -40.8 33.7 -1.8 18.6 92 93 A V H <>S+ 0 0 0 -4,-1.7 5,-2.5 2,-0.2 3,-0.5 0.943 113.1 50.4 -61.7 -44.6 29.9 -2.3 18.0 93 94 A H H ><5S+ 0 0 60 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.882 102.3 60.3 -64.9 -37.3 30.3 -6.0 19.1 94 95 A K H 3<5S+ 0 0 186 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.889 105.1 49.1 -53.6 -40.8 32.1 -4.9 22.3 95 96 A K T 3<5S- 0 0 124 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.421 124.4-108.1 -77.8 3.0 28.9 -2.9 23.2 96 97 A G T < 5S+ 0 0 45 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.614 73.8 140.0 78.3 13.1 26.9 -6.0 22.5 97 98 A G < - 0 0 2 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.348 46.8-129.9 -87.1 171.3 25.4 -4.6 19.2 98 99 A L - 0 0 27 -45,-0.5 -42,-2.9 -47,-0.1 2,-0.4 -0.953 20.5-169.0-122.5 140.9 24.6 -6.1 15.8 99 100 A I E -d 56 0B 0 -2,-0.4 90,-2.2 -44,-0.2 91,-1.0 -0.992 10.6-173.0-140.3 122.6 25.7 -4.7 12.5 100 101 A F E -df 57 190B 0 -44,-2.6 -42,-3.3 -2,-0.4 2,-0.5 -0.858 25.0-132.8-103.8 144.4 24.8 -5.5 8.8 101 102 A L E -df 58 191B 0 89,-2.3 91,-2.3 -2,-0.3 2,-0.4 -0.892 14.3-134.6-100.3 127.7 26.7 -3.7 6.0 102 103 A Q E - f 0 192B 5 -44,-1.3 -41,-1.7 -2,-0.5 2,-0.5 -0.694 18.5-150.9 -80.2 132.8 24.6 -2.3 3.2 103 104 A L E -df 61 193B 0 89,-2.4 91,-2.2 -2,-0.4 2,-0.3 -0.925 19.8-177.0-107.5 126.3 26.1 -3.1 -0.3 104 105 A I E -d 62 0B 4 -43,-1.9 -41,-1.4 -2,-0.5 -40,-0.4 -0.906 29.8-168.0-129.1 147.2 25.5 -0.7 -3.2 105 106 A H - 0 0 6 -2,-0.3 95,-3.2 89,-0.3 96,-0.3 -0.967 19.6-151.4-123.5 119.8 26.1 -0.1 -6.9 106 107 A A > - 0 0 2 -39,-0.5 3,-2.5 -2,-0.4 4,-0.1 0.620 25.8-178.2 -68.7 -12.7 25.3 3.5 -7.8 107 108 A G G > S- 0 0 0 1,-0.3 3,-1.4 2,-0.2 24,-0.5 -0.269 70.8 -1.9 55.3-125.1 24.3 2.6 -11.4 108 109 A R G 3 S+ 0 0 12 1,-0.3 30,-0.4 90,-0.2 -1,-0.3 0.473 126.8 71.8 -79.6 -1.4 23.3 5.7 -13.4 109 110 A A G < + 0 0 3 -3,-2.5 -1,-0.3 89,-0.1 -2,-0.2 0.291 69.3 126.5 -98.9 12.4 23.9 7.8 -10.3 110 111 A G S < S- 0 0 0 -3,-1.4 47,-0.5 21,-0.2 -41,-0.3 -0.344 72.8-105.6 -63.9 150.0 27.6 7.4 -10.5 111 112 A I >> - 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0 0 70 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.513 23.1-112.9 -78.3 157.4 25.1 -6.6 -21.4 164 165 A D H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.899 120.7 53.8 -52.6 -39.0 23.3 -9.7 -20.0 165 166 A D H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 106.7 49.5 -67.0 -37.5 26.8 -11.2 -19.7 166 167 A E H >>S+ 0 0 36 3,-0.2 5,-2.3 2,-0.2 4,-1.7 0.870 110.8 51.3 -68.8 -35.6 28.3 -8.3 -17.7 167 168 A V H <>S+ 0 0 0 -4,-2.2 5,-2.6 3,-0.2 4,-0.3 0.988 118.5 35.7 -62.5 -53.9 25.3 -8.4 -15.3 168 169 A R H <5S+ 0 0 154 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 133.9 25.3 -68.2 -40.7 25.7 -12.1 -14.6 169 170 A N H <5S+ 0 0 107 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.434 132.5 31.8-110.9 1.5 29.4 -12.3 -14.8 170 171 A G T X5S+ 0 0 18 -4,-1.7 4,-0.7 -5,-0.2 -3,-0.2 0.689 124.0 30.4-124.7 -53.5 30.5 -8.8 -13.9 171 172 A I H >>> S+ 0 0 53 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.819 103.8 59.1 -64.3 -27.7 30.2 -11.5 -8.4 174 175 A L H S+ 0 0 65 -4,-2.6 4,-2.5 2,-0.2 5,-0.9 0.921 113.3 49.3 -60.8 -42.3 32.1 -12.4 1.7 181 182 A N H X>S+ 0 0 11 -4,-2.8 5,-2.8 -5,-0.2 4,-1.1 0.960 113.0 47.1 -58.4 -54.5 34.6 -9.6 2.5 182 183 A A H <5S+ 0 0 0 -4,-2.6 6,-2.3 3,-0.2 -2,-0.2 0.942 126.3 26.6 -47.6 -53.5 32.0 -7.9 4.8 183 184 A I H X5S+ 0 0 8 -4,-2.6 4,-0.5 4,-0.2 -3,-0.2 0.957 126.6 37.0 -86.3 -50.3 31.1 -11.1 6.7 184 185 A F H <5S+ 0 0 114 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.769 131.0 23.3 -79.8 -30.2 34.1 -13.5 6.6 185 186 A K T < + 0 0 0 53,-0.3 3,-1.8 1,-0.1 6,-0.4 -0.659 64.2 44.0-129.1 174.9 16.2 1.0 -3.4 197 198 A N T 3 S- 0 0 24 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 0.628 116.5 -59.2 67.3 23.3 16.4 4.8 -4.0 198 199 A G T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -3,-0.1 -90,-0.2 0.494 97.3 134.2 90.3 6.1 17.3 4.8 -7.7 199 200 A Y S <> S- 0 0 32 -3,-1.8 4,-2.7 -92,-0.1 5,-0.2 -0.003 75.1 -71.8 -82.1-173.1 20.5 2.8 -7.5 200 201 A L H > S+ 0 0 1 -95,-3.2 4,-1.0 1,-0.2 -67,-0.2 0.884 131.1 41.3 -52.7 -49.1 21.6 -0.1 -9.8 201 202 A L H >> S+ 0 0 1 -7,-0.6 4,-1.3 -96,-0.3 3,-0.5 0.903 115.6 47.6 -67.6 -43.6 19.2 -2.6 -8.5 202 203 A D H 3> S+ 0 0 0 -6,-0.4 4,-2.6 -8,-0.3 -1,-0.2 0.847 107.1 61.2 -59.6 -36.5 16.1 -0.3 -8.1 203 204 A A H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.767 108.3 41.7 -65.9 -26.3 16.9 0.9 -11.7 204 205 A F H << S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.783 114.9 54.2 -83.7 -30.0 16.4 -2.7 -13.0 205 206 A F H < S+ 0 0 0 -4,-1.3 2,-0.3 -5,-0.1 -2,-0.2 0.858 99.7 61.3 -75.4 -42.8 13.3 -3.2 -10.8 206 207 A R S >X S- 0 0 0 -4,-2.6 3,-1.0 1,-0.1 4,-0.8 -0.706 79.2-126.6 -97.7 145.2 11.1 -0.2 -11.7 207 208 A E G >4 S+ 0 0 58 -2,-0.3 3,-0.8 1,-0.2 53,-0.2 0.827 98.4 64.8 -51.0 -45.9 9.7 0.6 -15.2 208 209 A S G 34 S+ 0 0 29 51,-2.0 -1,-0.2 1,-0.2 52,-0.1 0.764 113.0 30.8 -58.3 -29.3 10.9 4.1 -15.7 209 210 A S G <4 S+ 0 0 3 -3,-1.0 2,-0.6 -7,-0.2 -75,-0.2 0.495 108.8 70.3-109.6 -7.7 14.6 3.2 -15.7 210 211 A N << + 0 0 2 -4,-0.8 -1,-0.2 -3,-0.8 -76,-0.1 -0.911 43.0 150.6-113.2 101.4 14.5 -0.2 -17.2 211 212 A K + 0 0 109 -2,-0.6 -1,-0.1 -3,-0.1 7,-0.1 0.106 22.1 146.8-110.0 19.3 13.6 -0.3 -21.0 212 213 A R - 0 0 11 5,-0.2 7,-2.5 1,-0.2 8,-0.6 -0.366 36.6-156.3 -60.1 131.4 15.6 -3.4 -21.9 213 214 A Q + 0 0 147 5,-0.2 2,-0.3 6,-0.1 -1,-0.2 0.686 62.3 14.9 -89.1 -13.8 13.7 -5.2 -24.6 214 215 A S S S+ 0 0 90 3,-0.1 3,-0.3 5,-0.0 5,-0.1 -0.882 83.2 49.3-151.6 172.3 14.9 -8.8 -24.1 215 216 A G S > S- 0 0 37 -2,-0.3 3,-1.6 1,-0.2 9,-0.0 -0.021 95.3 -50.0 84.5 179.7 16.7 -11.3 -21.9 216 217 A P T 3 S+ 0 0 65 0, 0.0 11,-0.2 0, 0.0 -1,-0.2 0.660 135.8 46.4 -67.2 -15.3 16.4 -12.3 -18.3 217 218 A Y T 3 S+ 0 0 2 -3,-0.3 -5,-0.2 10,-0.1 -2,-0.1 0.072 81.2 149.6-112.7 21.2 16.6 -8.7 -17.0 218 219 A A < - 0 0 3 -3,-1.6 3,-0.4 1,-0.1 -5,-0.2 -0.106 48.4-139.6 -56.7 153.5 14.1 -7.1 -19.5 219 220 A G S S+ 0 0 8 -7,-2.5 -1,-0.1 1,-0.2 -6,-0.1 0.462 86.1 87.2 -87.7 -0.6 12.0 -4.1 -18.5 220 221 A T S S+ 0 0 77 -8,-0.6 2,-0.3 2,-0.0 -1,-0.2 0.542 89.1 34.6 -88.3 -12.4 9.0 -5.6 -20.2 221 222 A T S > S- 0 0 67 -3,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.976 74.0-122.4-139.5 156.3 7.6 -7.7 -17.4 222 223 A I H > S+ 0 0 49 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.879 111.3 51.9 -60.4 -40.4 7.3 -7.6 -13.6 223 224 A D H > S+ 0 0 63 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.895 110.0 45.7 -70.9 -39.8 9.2 -10.9 -13.2 224 225 A T H >> S+ 0 0 28 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.864 110.2 54.7 -72.1 -32.8 12.2 -10.0 -15.3 225 226 A R H 3< S+ 0 0 4 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.885 108.9 50.6 -64.5 -33.5 12.5 -6.6 -13.7 226 227 A C H 3X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.637 91.2 84.2 -71.6 -13.2 12.6 -8.5 -10.3 227 228 A Q H S+ 0 0 0 -4,-0.5 4,-1.9 -28,-0.3 -2,-0.2 0.911 116.9 46.1 -46.3 -46.8 17.3 -8.1 -7.3 230 231 A Y H X S+ 0 0 50 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.935 112.4 46.5 -63.5 -51.7 16.7 -11.9 -7.1 231 232 A D H X S+ 0 0 26 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.897 114.1 48.3 -65.5 -40.1 19.9 -13.1 -8.7 232 233 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.974 115.5 43.6 -60.8 -51.4 22.1 -10.8 -6.6 233 234 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.4 -2,-0.2 0.942 115.2 49.2 -62.2 -45.5 20.4 -11.7 -3.3 234 235 A K H X S+ 0 0 75 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.904 111.6 47.8 -60.8 -45.2 20.4 -15.5 -4.2 235 236 A S H X S+ 0 0 31 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.905 113.9 48.6 -67.7 -35.2 24.1 -15.6 -5.1 236 237 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.942 110.9 49.8 -66.0 -48.1 24.9 -13.7 -1.9 237 238 A C H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.814 107.7 55.2 -58.1 -37.1 22.8 -16.0 0.2 238 239 A D H < S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.4 39.4 -66.8 -36.7 24.5 -19.0 -1.3 239 240 A A H < S+ 0 0 37 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.790 132.9 19.9 -84.2 -30.9 27.9 -17.8 -0.4 240 241 A V H < S- 0 0 3 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.580 111.5 -94.3-117.7 -9.4 27.1 -16.4 3.1 241 242 A G >< - 0 0 24 -4,-2.2 3,-1.8 -5,-0.3 -3,-0.2 0.392 25.5-112.3 96.2 128.3 23.9 -18.0 4.3 242 243 A S G > S+ 0 0 31 1,-0.3 3,-1.8 -5,-0.2 38,-1.2 0.766 112.4 70.6 -63.4 -24.1 20.4 -16.4 3.9 243 244 A D G 3 S+ 0 0 39 1,-0.3 -229,-1.4 36,-0.2 -1,-0.3 0.436 100.4 47.3 -74.7 -2.6 20.2 -15.9 7.7 244 245 A R G < S+ 0 0 40 -3,-1.8 -53,-2.1 -231,-0.2 2,-0.4 0.068 98.8 89.0-118.9 19.8 22.8 -13.2 7.3 245 246 A V E < +g 191 0B 0 -3,-1.8 35,-2.1 -55,-0.2 36,-0.9 -0.968 46.7 179.5-128.9 124.2 21.2 -11.4 4.3 246 247 A G E -gh 192 281B 0 -55,-3.3 -53,-3.1 -2,-0.4 2,-0.4 -0.749 14.3-147.3-110.5 165.7 18.6 -8.5 4.2 247 248 A L E -gh 193 282B 0 34,-1.3 36,-3.4 -2,-0.3 2,-0.4 -1.000 5.5-158.0-132.4 134.7 17.1 -6.7 1.2 248 249 A R E +gh 194 283B 13 -55,-2.6 -53,-1.3 -2,-0.4 2,-0.3 -0.947 16.6 169.4-112.7 134.3 16.0 -3.1 1.0 249 250 A I E -gh 195 284B 0 34,-2.0 36,-1.9 -2,-0.4 -53,-0.3 -0.875 23.2-162.5-131.9 163.9 13.5 -1.8 -1.6 250 251 A S > + 0 0 0 -55,-0.6 3,-1.5 -2,-0.3 -53,-0.2 -0.519 12.6 174.2-146.9 78.0 11.5 1.5 -2.1 251 252 A P T 3 S+ 0 0 0 0, 0.0 9,-0.4 0, 0.0 35,-0.1 0.650 82.3 36.2 -66.6 -13.4 8.6 0.8 -4.4 252 253 A L T 3 S+ 0 0 2 33,-0.4 2,-0.7 35,-0.3 41,-0.4 0.350 82.1 121.2-116.4 4.5 7.2 4.3 -4.0 253 254 A N < - 0 0 0 -3,-1.5 35,-0.1 35,-0.1 5,-0.1 -0.598 42.9-164.8 -87.8 112.0 10.3 6.5 -3.8 254 255 A G > + 0 0 14 -2,-0.7 3,-1.5 3,-0.1 4,-0.4 0.293 35.3 140.5 -80.3 9.6 10.3 9.1 -6.5 255 256 A V G > S+ 0 0 34 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 -0.176 76.7 9.7 -52.9 146.5 14.0 10.2 -6.3 256 257 A H G 3 S- 0 0 22 1,-0.3 -117,-0.3 -116,-0.1 -1,-0.3 0.727 132.5 -66.7 54.4 25.1 15.6 10.8 -9.7 257 258 A G G < S+ 0 0 44 -3,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.772 84.3 167.4 70.0 23.7 12.2 10.5 -11.4 258 259 A M < + 0 0 1 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.2 -0.559 6.1 156.0 -71.1 131.8 11.9 6.8 -10.5 259 260 A I - 0 0 84 -2,-0.3 -51,-2.0 3,-0.0 2,-0.4 -0.928 30.3-160.5-156.3 138.8 8.4 5.5 -11.0 260 261 A D - 0 0 4 -9,-0.4 -54,-0.1 -2,-0.3 -2,-0.0 -0.952 20.3-139.8-110.9 140.6 6.7 2.2 -11.7 261 262 A S S S+ 0 0 91 -2,-0.4 -1,-0.1 1,-0.2 -55,-0.0 0.601 100.3 28.6 -74.5 -12.0 3.2 2.2 -13.2 262 263 A N > + 0 0 77 1,-0.1 4,-2.4 2,-0.1 -1,-0.2 -0.356 66.1 162.2-140.8 68.6 2.1 -0.7 -10.9 263 264 A P H > S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.787 75.8 54.9 -63.6 -26.4 4.0 -0.6 -7.6 264 265 A E H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 111.5 42.3 -71.4 -48.7 1.6 -2.8 -5.7 265 266 A A H > S+ 0 0 33 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.881 116.4 50.4 -62.7 -37.6 1.7 -5.7 -8.2 266 267 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.930 112.9 45.2 -64.2 -47.5 5.6 -5.3 -8.5 267 268 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.3 50.7 -63.5 -45.5 6.1 -5.3 -4.7 268 269 A K H X S+ 0 0 75 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.870 112.1 47.4 -65.3 -39.5 3.8 -8.3 -4.1 269 270 A H H X S+ 0 0 62 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.915 108.1 54.3 -66.4 -47.6 5.5 -10.3 -6.8 270 271 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.937 107.6 53.1 -46.9 -49.0 8.9 -9.4 -5.5 271 272 A C H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.898 110.4 43.8 -54.5 -51.1 7.8 -10.7 -2.1 272 273 A K H < S+ 0 0 126 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.897 112.8 55.3 -65.0 -35.7 6.6 -14.1 -3.4 273 274 A K H < S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.818 113.0 39.2 -68.6 -32.1 9.8 -14.4 -5.5 274 275 A I H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 5,-0.5 0.550 91.1 91.6 -99.1 -7.6 12.2 -13.9 -2.5 275 276 A E G >< S+ 0 0 54 -4,-1.3 3,-1.9 1,-0.2 -1,-0.2 0.907 82.8 54.3 -43.9 -53.0 10.1 -16.0 -0.1 276 277 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.586 95.9 69.9 -66.7 -7.4 12.0 -19.2 -0.9 277 278 A L G < S- 0 0 14 -3,-1.4 -2,-0.2 -35,-0.0 -35,-0.1 0.696 91.9-144.7 -79.6 -19.7 15.3 -17.5 -0.1 278 279 A S < - 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