==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-FEB-11 3QST . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOMONAS VAGINALIS; . AUTHOR S.LARA-GONZALEZ,H.SALGADO-LUGO,L.G.BRIEBA . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 16 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 4 2 1 0 0 0 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 R 0 0 123 0, 0.0 2,-0.4 0, 0.0 203,-0.1 0.000 360.0 360.0 360.0 136.3 -13.1 4.8 -21.6 2 3 A T - 0 0 55 201,-0.2 33,-0.1 1,-0.1 225,-0.0 -0.658 360.0-109.7 -81.0 130.7 -15.8 7.4 -21.4 3 4 A F - 0 0 11 31,-0.5 33,-2.9 -2,-0.4 2,-0.4 -0.300 37.7-154.8 -56.2 142.4 -14.8 10.8 -22.6 4 5 A F E -ab 36 228A 0 223,-2.5 225,-1.5 31,-0.2 2,-0.5 -0.980 16.1-176.2-133.6 127.8 -14.4 13.3 -19.8 5 6 A V E -ab 37 229A 0 31,-2.8 33,-2.1 -2,-0.4 2,-0.5 -0.960 3.2-172.4-129.3 115.0 -14.7 17.1 -19.7 6 7 A G E -ab 38 230A 2 223,-2.8 225,-3.1 -2,-0.5 2,-0.7 -0.907 13.9-148.9-102.9 131.4 -14.0 19.1 -16.6 7 8 A G E -ab 39 231A 0 31,-2.8 33,-3.2 -2,-0.5 2,-0.9 -0.896 10.3-161.5 -97.4 112.4 -14.8 22.9 -16.7 8 9 A N E -a 40 0A 6 223,-2.8 227,-0.2 -2,-0.7 33,-0.2 -0.814 10.8-176.5 -94.5 99.8 -12.3 24.6 -14.4 9 10 A W - 0 0 3 31,-2.6 -1,-0.2 -2,-0.9 32,-0.1 0.681 21.9-167.2 -64.9 -16.2 -13.8 28.0 -13.6 10 11 A K - 0 0 61 30,-0.2 2,-1.6 1,-0.2 -1,-0.2 -0.323 65.1 -16.6 55.8-143.4 -10.6 28.8 -11.6 11 12 A A S S+ 0 0 86 -3,-0.1 -1,-0.2 30,-0.1 30,-0.1 -0.458 110.2 156.2 -89.7 65.1 -11.1 32.0 -9.4 12 13 A N + 0 0 66 -2,-1.6 2,-0.1 2,-0.0 -3,-0.1 -0.957 23.3 26.9-151.9 159.6 -14.2 33.1 -11.4 13 14 A P - 0 0 16 0, 0.0 6,-0.0 0, 0.0 -4,-0.0 0.712 63.5-133.9 -78.8-173.9 -16.7 34.6 -11.7 14 15 A K S S+ 0 0 175 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.796 81.8 37.9 -71.3 -28.1 -16.6 37.5 -9.4 15 16 A T S > S- 0 0 50 1,-0.1 4,-2.2 30,-0.0 5,-0.2 -0.902 70.2-128.2-132.7 153.5 -20.1 37.1 -7.9 16 17 A V H > S+ 0 0 50 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.848 112.4 60.0 -63.8 -30.5 -22.6 34.5 -6.9 17 18 A Q H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 107.0 45.0 -64.8 -41.2 -25.1 36.2 -9.1 18 19 A E H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.876 110.1 55.0 -65.6 -41.2 -22.8 35.5 -12.1 19 20 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.920 108.0 49.8 -57.1 -44.2 -22.2 32.0 -11.0 20 21 A E H X S+ 0 0 66 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.891 108.8 51.4 -63.5 -39.7 -26.0 31.4 -10.9 21 22 A K H X S+ 0 0 63 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.895 109.4 51.4 -63.3 -40.4 -26.4 32.8 -14.5 22 23 A L H X S+ 0 0 27 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.903 108.3 50.9 -62.0 -44.0 -23.6 30.5 -15.7 23 24 A V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 31,-0.3 0.915 107.5 53.5 -60.8 -42.2 -25.4 27.5 -14.2 24 25 A E H X S+ 0 0 120 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.919 110.1 48.4 -59.6 -40.8 -28.6 28.5 -15.9 25 26 A M H >< S+ 0 0 72 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.930 112.5 47.3 -62.1 -48.0 -26.7 28.6 -19.2 26 27 A L H >< S+ 0 0 5 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.849 104.1 62.3 -64.1 -35.4 -25.2 25.2 -18.7 27 28 A N H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 104.7 47.0 -66.3 -22.9 -28.5 23.6 -17.6 28 29 A G T << S+ 0 0 67 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.428 84.6 121.1 -95.5 0.7 -30.0 24.3 -21.0 29 30 A A < - 0 0 19 -3,-1.4 2,-0.8 -4,-0.3 -3,-0.0 -0.425 60.9-134.1 -71.4 133.6 -27.0 23.0 -23.0 30 31 A K - 0 0 134 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.777 20.3-153.9 -90.7 109.6 -27.8 20.1 -25.4 31 32 A V - 0 0 34 -2,-0.8 2,-0.3 2,-0.0 211,-0.1 -0.643 7.0-161.4 -85.2 132.2 -25.1 17.4 -25.0 32 33 A E + 0 0 92 -2,-0.4 215,-0.2 2,-0.0 216,-0.1 -0.843 53.4 1.1-107.1 151.1 -24.4 15.1 -27.9 33 34 A G S S- 0 0 58 -2,-0.3 2,-0.5 214,-0.1 212,-0.1 -0.389 103.5 -47.7 78.8-151.8 -22.7 11.7 -27.7 34 35 A N S S+ 0 0 114 -2,-0.1 -31,-0.5 211,-0.1 2,-0.3 -0.991 70.1 146.9-128.6 120.2 -21.5 10.1 -24.5 35 36 A V - 0 0 23 -2,-0.5 2,-0.6 -33,-0.1 -31,-0.2 -0.990 42.9-132.9-158.5 142.3 -19.4 12.2 -22.0 36 37 A E E -a 4 0A 51 -33,-2.9 -31,-2.8 -2,-0.3 2,-0.4 -0.908 30.8-163.9 -98.7 120.2 -18.8 12.6 -18.3 37 38 A V E +a 5 0A 4 -2,-0.6 21,-2.1 19,-0.4 2,-0.4 -0.912 12.0 178.4-115.9 130.2 -19.0 16.3 -17.4 38 39 A V E -ac 6 58A 1 -33,-2.1 -31,-2.8 -2,-0.4 2,-0.5 -0.971 13.2-154.7-128.4 141.5 -17.7 17.9 -14.2 39 40 A V E -ac 7 59A 1 19,-2.7 21,-2.7 -2,-0.4 2,-0.4 -0.976 6.8-162.5-123.0 118.6 -17.8 21.6 -13.2 40 41 A A E +ac 8 60A 3 -33,-3.2 -31,-2.6 -2,-0.5 -30,-0.2 -0.873 18.4 165.7-104.3 132.9 -15.2 23.0 -10.8 41 42 A A - 0 0 0 19,-1.5 21,-0.4 -2,-0.4 5,-0.1 -0.875 43.2 -68.8-140.1 165.8 -15.9 26.4 -9.1 42 43 A P >> - 0 0 24 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.238 52.4-109.6 -56.6 146.8 -14.7 28.5 -6.2 43 44 A F G >4 S+ 0 0 75 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.823 115.8 56.1 -49.4 -43.4 -15.5 27.1 -2.7 44 45 A V G 34 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.672 109.0 47.6 -70.5 -14.5 -18.1 29.8 -1.9 45 46 A F G <> S+ 0 0 14 -3,-2.1 4,-2.3 1,-0.1 -1,-0.3 0.454 87.1 90.2 -99.0 -5.1 -20.1 29.0 -5.0 46 47 A L H S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.942 111.5 45.2 -61.7 -41.9 -23.2 25.1 -2.5 48 49 A T H > S+ 0 0 17 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.912 113.6 50.1 -70.8 -36.4 -25.2 26.9 -5.1 49 50 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.932 110.0 50.6 -60.6 -45.2 -23.8 24.8 -7.9 50 51 A Q H < S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 116.4 41.8 -61.2 -40.5 -24.6 21.6 -6.0 51 52 A Q H < S+ 0 0 138 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.905 127.7 27.8 -69.6 -41.4 -28.2 22.8 -5.5 52 53 A K H < S+ 0 0 67 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.680 90.0 102.2-104.2 -23.4 -28.8 24.3 -9.0 53 54 A L S < S- 0 0 6 -4,-2.9 6,-0.1 -5,-0.3 -29,-0.1 -0.428 85.9 -89.2 -71.4 138.5 -26.6 22.4 -11.6 54 55 A R > - 0 0 42 -31,-0.3 3,-1.5 1,-0.1 -1,-0.1 -0.112 36.5-130.5 -40.8 134.0 -28.2 19.8 -13.8 55 56 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.586 100.0 70.6 -80.5 -8.4 -27.9 16.5 -12.0 56 57 A D T 3 S+ 0 0 103 2,-0.0 -19,-0.4 -20,-0.0 -1,-0.3 0.568 99.6 58.7 -79.9 -7.8 -26.5 14.6 -15.0 57 58 A W S < S- 0 0 13 -3,-1.5 2,-0.4 -21,-0.1 -19,-0.2 -0.748 83.2-130.3-112.2 165.3 -23.3 16.6 -14.4 58 59 A K E -c 38 0A 82 -21,-2.1 -19,-2.7 -2,-0.3 2,-0.3 -0.904 9.6-127.9-121.8 146.3 -21.2 16.7 -11.2 59 60 A V E -c 39 0A 4 -2,-0.4 29,-1.0 -21,-0.2 28,-0.6 -0.663 25.4-164.7 -87.6 145.2 -19.7 19.6 -9.2 60 61 A S E -cd 40 88A 0 -21,-2.7 -19,-1.5 -2,-0.3 29,-0.3 -0.978 16.8-131.2-130.5 143.3 -16.0 19.6 -8.2 61 62 A A E - d 0 89A 0 27,-2.5 29,-1.9 -2,-0.4 3,-0.1 -0.495 18.1-135.1 -77.0 164.4 -13.9 21.6 -5.7 62 63 A E S S- 0 0 41 -21,-0.4 2,-0.3 1,-0.3 31,-0.3 0.446 80.5 -10.3 -98.6 -3.9 -10.8 23.2 -7.1 63 64 A N - 0 0 6 28,-0.1 -1,-0.3 29,-0.1 2,-0.3 -0.915 59.1-162.7-179.7 158.1 -8.6 22.1 -4.2 64 65 A V - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 50,-0.1 -0.960 24.3-111.2-148.4 164.1 -8.8 20.4 -0.7 65 66 A F - 0 0 27 11,-2.1 13,-0.3 -2,-0.3 49,-0.1 -0.160 29.1-110.3 -86.4-175.6 -6.5 20.1 2.3 66 67 A T S S+ 0 0 21 11,-0.1 11,-0.1 47,-0.1 -1,-0.1 0.506 90.4 58.8 -95.4 -7.1 -4.9 17.0 3.6 67 68 A K S S- 0 0 108 1,-0.1 11,-0.4 5,-0.0 -2,-0.2 -0.772 81.1-117.9-125.8 164.0 -6.8 16.5 6.9 68 69 A P S S- 0 0 53 0, 0.0 2,-0.3 0, 0.0 12,-0.3 0.848 85.0 -44.1 -71.6 -29.3 -10.4 16.0 7.9 69 70 A N S S+ 0 0 108 10,-0.1 2,-0.3 7,-0.1 7,-0.1 -0.936 81.3 101.5 178.2 169.3 -10.6 19.2 9.9 70 71 A G S S- 0 0 56 -2,-0.3 2,-2.3 -3,-0.1 -3,-0.0 -0.930 74.1 -6.4 138.3-154.7 -8.6 21.1 12.5 71 72 A A S S+ 0 0 99 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.402 84.1 116.5 -83.6 65.9 -6.3 24.0 13.1 72 73 A F > - 0 0 75 -2,-2.3 3,-2.4 3,-0.1 -1,-0.1 -0.625 53.8-155.2-135.2 67.4 -5.8 25.0 9.4 73 74 A T T 3 S+ 0 0 152 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.201 78.4 16.9 -52.3 130.5 -7.3 28.5 9.1 74 75 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.143 99.3 118.8 94.2 -18.2 -8.4 29.2 5.6 75 76 A E < - 0 0 65 -3,-2.4 2,-0.4 -11,-0.0 -1,-0.3 -0.568 51.1-149.1 -88.8 145.3 -8.5 25.6 4.4 76 77 A V - 0 0 30 -2,-0.2 -11,-2.1 -3,-0.1 2,-0.2 -0.904 19.4-150.8-107.8 139.4 -11.4 23.5 3.2 77 78 A T > - 0 0 3 -2,-0.4 4,-1.8 -13,-0.2 3,-0.4 -0.678 25.0-108.9-113.5 163.2 -11.5 19.8 3.8 78 79 A V H > S+ 0 0 0 -11,-0.4 4,-2.8 -13,-0.3 5,-0.2 0.899 115.4 54.0 -53.7 -48.7 -12.9 16.7 2.2 79 80 A P H > S+ 0 0 52 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.878 106.8 53.4 -58.3 -33.4 -15.6 16.0 4.8 80 81 A M H 4 S+ 0 0 83 -3,-0.4 4,-0.3 -12,-0.3 -2,-0.2 0.937 111.7 44.2 -65.9 -48.3 -16.9 19.6 4.3 81 82 A I H ><>S+ 0 0 7 -4,-1.8 3,-1.6 1,-0.2 5,-1.5 0.921 112.9 51.6 -56.9 -49.0 -17.2 19.2 0.6 82 83 A K H ><5S+ 0 0 82 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.770 94.9 70.7 -63.4 -26.8 -18.8 15.7 0.9 83 84 A S T 3<5S+ 0 0 92 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.684 100.4 48.1 -67.1 -15.2 -21.4 17.1 3.4 84 85 A F T < 5S- 0 0 106 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.509 124.1-105.3 -95.6 -9.0 -23.0 18.9 0.4 85 86 A G T < 5 + 0 0 34 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.536 68.9 152.0 93.2 10.3 -22.9 15.7 -1.7 86 87 A I < - 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.618 22.4-176.3 -79.1 133.5 -20.0 17.0 -3.8 87 88 A E + 0 0 60 -28,-0.6 33,-2.6 -2,-0.3 2,-0.3 0.540 51.4 61.6-110.8 -13.4 -17.9 14.0 -5.2 88 89 A W E +de 60 120A 2 -29,-1.0 -27,-2.5 31,-0.2 2,-0.3 -0.862 45.5 178.8-123.1 151.4 -14.9 15.6 -7.0 89 90 A T E -de 61 121A 0 31,-1.7 33,-2.3 -2,-0.3 2,-0.3 -0.990 24.6-131.6-143.8 148.5 -11.9 17.7 -6.5 90 91 A I E - e 0 122A 1 -29,-1.9 2,-0.3 -2,-0.3 33,-0.2 -0.710 29.6-170.2 -81.7 144.1 -9.1 19.0 -8.7 91 92 A L E + e 0 123A 1 31,-2.7 33,-2.6 -2,-0.3 -28,-0.1 -0.996 56.9 12.2-134.5 142.2 -5.6 18.5 -7.2 92 93 A G S S+ 0 0 1 -2,-0.3 5,-0.1 31,-0.2 31,-0.1 0.655 70.1 177.5 75.9 17.9 -2.1 19.8 -8.2 93 94 A H >> - 0 0 12 -31,-0.3 4,-2.4 1,-0.1 3,-1.1 -0.247 41.5-115.3 -51.4 141.2 -3.2 22.4 -10.7 94 95 A S H 3> S+ 0 0 5 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.817 115.7 58.4 -49.5 -37.1 -0.2 24.2 -12.1 95 96 A E H 3>>S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 5,-1.1 0.872 110.0 42.4 -66.1 -35.3 -1.5 27.5 -10.6 96 97 A R H <45S+ 0 0 65 -3,-1.1 6,-2.2 3,-0.2 -2,-0.2 0.869 114.9 49.7 -78.2 -36.6 -1.4 25.9 -7.1 97 98 A R H <5S+ 0 0 23 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.885 125.1 28.9 -65.4 -37.8 1.9 24.2 -7.6 98 99 A D H <5S+ 0 0 75 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.949 130.6 29.1 -93.1 -57.3 3.5 27.4 -8.8 99 100 A I T <5S+ 0 0 133 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.931 131.5 34.9 -71.8 -45.1 1.7 30.4 -7.2 100 101 A L S - 0 0 92 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.424 29.2-100.8 -95.6 171.3 4.8 20.4 -3.7 104 105 A D H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.809 119.9 54.8 -62.2 -34.6 4.5 16.8 -4.7 105 106 A E H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 110.5 46.0 -63.1 -45.1 4.6 15.5 -1.1 106 107 A F H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.919 115.1 48.2 -60.6 -46.4 1.7 17.8 -0.2 107 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.876 108.7 51.8 -67.7 -40.0 -0.2 16.7 -3.3 108 109 A A H X S+ 0 0 20 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.898 109.3 51.4 -59.7 -41.3 0.4 13.0 -2.8 109 110 A A H X S+ 0 0 45 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.882 110.2 49.4 -66.4 -37.9 -1.0 13.3 0.7 110 111 A K H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.915 110.4 50.0 -63.1 -45.1 -4.1 15.1 -0.6 111 112 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.932 113.1 46.1 -62.6 -43.9 -4.7 12.4 -3.3 112 113 A K H X S+ 0 0 96 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.945 115.4 45.1 -63.8 -50.4 -4.4 9.6 -0.7 113 114 A F H X S+ 0 0 32 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.916 114.2 49.3 -60.4 -44.9 -6.7 11.3 1.9 114 115 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 3,-0.4 0.946 114.6 43.5 -61.3 -51.0 -9.3 12.3 -0.8 115 116 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.8 -5,-0.2 -1,-0.2 0.901 110.2 55.2 -63.1 -41.7 -9.5 8.8 -2.3 116 117 A E H 3<5S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 108.5 51.9 -60.7 -25.7 -9.5 7.1 1.1 117 118 A N T 3<5S- 0 0 63 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.133 126.6 -97.1-103.5 19.6 -12.5 9.3 1.9 118 119 A G T < 5S+ 0 0 37 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.551 76.6 137.1 86.4 9.8 -14.5 8.5 -1.1 119 120 A M < - 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0 0 31 -2,-0.3 2,-0.2 -7,-0.2 3,-0.0 -0.678 19.5-143.1 -90.7 142.1 1.2 23.6 -28.1 177 178 A S > - 0 0 53 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.561 28.0-110.2 -92.9 167.2 0.2 21.6 -31.1 178 179 A T H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 122.5 55.5 -58.7 -42.1 -2.4 18.9 -31.3 179 180 A Q H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.882 103.3 54.5 -59.6 -39.1 0.5 16.5 -31.8 180 181 A D H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 108.1 49.8 -60.6 -42.7 2.1 17.7 -28.5 181 182 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 5,-0.2 0.936 112.2 46.9 -60.5 -50.4 -1.1 17.0 -26.6 182 183 A Q H X S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.934 110.7 52.8 -58.1 -47.1 -1.3 13.5 -28.0 183 184 A E H X S+ 0 0 111 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.889 111.3 44.5 -59.6 -42.6 2.3 12.7 -27.3 184 185 A M H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.842 111.3 51.8 -76.7 -32.1 2.2 13.7 -23.7 185 186 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 112.2 48.0 -66.7 -40.3 -1.1 11.9 -22.9 186 187 A K H X S+ 0 0 85 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.903 107.6 56.5 -61.2 -42.7 0.5 8.8 -24.5 187 188 A V H X S+ 0 0 26 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.937 109.7 45.4 -53.3 -46.9 3.6 9.4 -22.3 188 189 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 110.9 51.8 -66.0 -44.1 1.4 9.3 -19.2 189 190 A R H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.900 110.6 49.5 -59.0 -39.7 -0.5 6.2 -20.3 190 191 A D H X S+ 0 0 76 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.840 107.7 53.1 -69.5 -35.7 2.8 4.4 -20.9 191 192 A I H X S+ 0 0 17 -4,-1.9 4,-2.3 -5,-0.2 5,-0.3 0.929 110.7 47.9 -62.6 -45.5 4.1 5.4 -17.5 192 193 A L H X>S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-1.1 0.939 111.6 50.1 -59.9 -45.7 1.0 4.0 -16.0 193 194 A A H X5S+ 0 0 38 -4,-2.4 4,-0.8 1,-0.2 5,-0.2 0.929 114.2 44.6 -59.2 -45.5 1.3 0.7 -18.0 194 195 A A H <5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.859 124.2 33.5 -66.5 -36.5 4.9 0.3 -17.0 195 196 A K H <5S+ 0 0 118 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.838 137.1 11.7 -95.0 -36.1 4.4 1.1 -13.3 196 197 A V H <5S- 0 0 45 -4,-3.2 4,-0.3 -5,-0.3 -3,-0.2 0.395 110.7 -98.9-126.3 -2.0 0.9 -0.2 -12.4 197 198 A G X< - 0 0 26 -5,-1.1 4,-2.3 -4,-0.8 3,-0.2 -0.018 31.1 -77.7 106.4 157.5 -0.1 -2.3 -15.4 198 199 A A H > S+ 0 0 56 1,-0.2 4,-2.7 -5,-0.2 5,-0.2 0.842 119.1 61.3 -60.4 -38.7 -2.1 -2.3 -18.7 199 200 A D H > S+ 0 0 139 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.941 111.5 39.0 -57.4 -46.3 -5.5 -2.8 -17.0 200 201 A I H >> S+ 0 0 31 -4,-0.3 4,-2.1 -3,-0.2 3,-1.3 0.949 114.8 53.1 -67.3 -46.5 -5.1 0.4 -15.1 201 202 A A H 3< S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.844 108.1 52.9 -56.9 -36.0 -3.5 2.3 -18.0 202 203 A N H 3< S+ 0 0 97 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.673 114.8 38.5 -74.8 -17.8 -6.4 1.2 -20.2 203 204 A K H << S+ 0 0 88 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.695 89.7 98.7-106.3 -21.5 -9.2 2.6 -17.9 204 205 A V < - 0 0 1 -4,-2.1 2,-0.4 -5,-0.1 -43,-0.1 -0.496 69.7-133.7 -74.6 126.6 -7.7 5.8 -16.6 205 206 A R E -g 161 0A 29 -45,-0.6 -43,-2.4 -2,-0.3 2,-0.5 -0.688 18.4-163.3 -78.3 129.4 -8.9 8.9 -18.4 206 207 A I E -g 162 0A 0 -2,-0.4 21,-2.9 19,-0.3 22,-0.4 -0.978 11.5-159.2-115.1 120.7 -6.0 11.2 -19.3 207 208 A L E -g 163 0A 0 -45,-3.4 -43,-3.1 -2,-0.5 2,-0.6 -0.726 19.1-124.7-102.9 153.0 -7.1 14.8 -20.2 208 209 A Y E -gh 164 229A 10 20,-2.7 22,-1.7 -2,-0.3 -43,-0.2 -0.850 26.4-179.5 -90.5 124.5 -5.5 17.6 -22.1 209 210 A G + 0 0 12 -45,-3.3 -44,-0.1 -2,-0.6 3,-0.1 0.034 45.8 99.0-117.8 26.1 -5.4 20.6 -19.9 210 211 A G S S- 0 0 10 1,-0.2 2,-0.5 -46,-0.2 22,-0.3 -0.005 94.5 -36.2 -84.7-159.7 -3.7 23.2 -22.1 211 212 A S + 0 0 78 -45,-0.1 2,-0.5 20,-0.1 -1,-0.2 -0.517 66.9 178.0 -68.4 117.0 -5.7 25.8 -24.1 212 213 A V + 0 0 6 -2,-0.5 22,-0.4 -3,-0.1 20,-0.2 -0.986 8.8 154.1-125.2 124.8 -8.9 24.2 -25.3 213 214 A K >> - 0 0 99 -2,-0.5 4,-1.7 20,-0.1 3,-1.5 -0.851 59.5 -91.2-138.7 171.5 -11.5 26.3 -27.2 214 215 A P T 34 S+ 0 0 55 0, 0.0 4,-0.4 0, 0.0 -1,-0.0 0.820 121.1 60.8 -57.8 -26.8 -14.2 25.6 -29.7 215 216 A N T 34 S+ 0 0 126 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.614 119.3 21.8 -80.0 -10.2 -11.7 26.1 -32.6 216 217 A N T <> S+ 0 0 39 -3,-1.5 4,-2.0 2,-0.1 5,-0.2 0.463 94.2 93.6-131.9 -2.7 -9.4 23.2 -31.5 217 218 A C H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.841 84.9 52.6 -66.0 -34.4 -11.5 20.8 -29.4 218 219 A N H > S+ 0 0 72 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.920 111.4 45.0 -69.8 -42.6 -12.5 18.5 -32.2 219 220 A E H > S+ 0 0 125 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.894 116.0 47.7 -66.3 -41.0 -9.0 17.9 -33.5 220 221 A L H >< S+ 0 0 3 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.927 108.4 54.2 -64.2 -45.2 -7.7 17.4 -30.0 221 222 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 100.6 61.8 -58.5 -34.5 -10.6 15.0 -29.1 222 223 A A H 3< S+ 0 0 56 -4,-1.5 -1,-0.3 28,-0.2 29,-0.3 0.696 76.6 108.1 -68.5 -19.0 -9.7 12.8 -32.1 223 224 A C S X< S- 0 0 15 -3,-1.5 3,-0.8 -4,-0.5 -44,-0.0 -0.387 75.0-131.5 -60.2 135.6 -6.2 12.1 -30.7 224 225 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.814 101.3 38.9 -66.2 -31.8 -6.2 8.5 -29.5 225 226 A D T 3 S+ 0 0 20 -20,-0.0 2,-0.7 2,-0.0 -19,-0.3 0.474 92.3 95.4 -97.9 -2.4 -4.7 9.0 -26.0 226 227 A V < + 0 0 0 -3,-0.8 -19,-0.2 -6,-0.2 3,-0.1 -0.811 48.4 178.2 -87.4 112.9 -6.6 12.3 -25.3 227 228 A D - 0 0 9 -21,-2.9 -223,-2.5 -2,-0.7 2,-0.3 0.294 58.2 -54.8-101.3 8.1 -9.7 11.2 -23.3 228 229 A G E -b 4 0A 0 -22,-0.4 -20,-2.7 -225,-0.2 2,-0.3 -0.976 63.3 -78.0 146.3-161.1 -11.0 14.7 -22.7 229 230 A F E -bh 5 208A 0 -225,-1.5 -223,-2.8 -2,-0.3 2,-0.6 -0.962 4.4-145.1-142.8 147.6 -10.1 18.1 -21.3 230 231 A L E -b 6 0A 9 -22,-1.7 2,-0.3 -2,-0.3 -223,-0.2 -0.952 43.8-153.4-107.9 104.8 -9.6 20.1 -18.2 231 232 A V E -b 7 0A 0 -225,-3.1 -223,-2.8 -2,-0.6 -20,-0.1 -0.614 17.0-173.0 -90.5 135.4 -10.9 23.4 -19.7 232 233 A G > - 0 0 17 -22,-0.3 3,-2.5 -2,-0.3 4,-0.3 0.595 69.5 -0.7 -89.1-116.3 -9.9 26.9 -18.6 233 234 A G G > S+ 0 0 52 1,-0.3 3,-1.8 2,-0.2 7,-0.1 0.754 123.2 64.4 -50.8 -34.2 -11.4 30.1 -19.8 234 235 A A G > S+ 0 0 7 -22,-0.4 3,-1.6 1,-0.3 6,-0.5 0.680 85.2 74.9 -67.5 -14.9 -13.9 28.5 -22.2 235 236 A S G < S+ 0 0 2 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.690 93.4 54.1 -69.1 -14.9 -15.7 26.9 -19.2 236 237 A L G < S+ 0 0 47 -3,-1.8 -1,-0.3 -4,-0.3 2,-0.2 0.370 106.0 67.0 -95.2 3.2 -17.1 30.3 -18.5 237 238 A E S X S- 0 0 115 -3,-1.6 3,-2.0 -4,-0.1 4,-0.2 -0.738 93.6-104.2-127.2 165.9 -18.5 30.7 -22.0 238 239 A A T > S+ 0 0 69 1,-0.3 3,-1.2 -2,-0.2 4,-0.5 0.749 112.5 75.2 -62.6 -21.3 -21.2 29.3 -24.3 239 240 A G T 3> S+ 0 0 11 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.655 72.2 83.8 -64.7 -16.2 -18.3 27.6 -26.1 240 241 A F H <> S+ 0 0 2 -3,-2.0 4,-2.5 -6,-0.5 -1,-0.3 0.883 86.0 54.7 -55.6 -38.2 -18.0 25.1 -23.2 241 242 A I H <> S+ 0 0 36 -3,-1.2 4,-2.5 -4,-0.2 -1,-0.2 0.863 102.3 56.5 -68.0 -33.8 -20.8 23.0 -24.8 242 243 A N H 4 S+ 0 0 85 -4,-0.5 4,-0.4 -3,-0.4 -1,-0.2 0.919 109.9 46.5 -58.5 -42.2 -18.9 22.8 -28.1 243 244 A I H >< S+ 0 0 0 -4,-1.7 3,-1.2 2,-0.2 4,-0.2 0.923 110.5 51.1 -68.1 -43.7 -16.0 21.3 -26.1 244 245 A V H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.913 111.3 50.4 -55.5 -41.3 -18.2 18.9 -24.2 245 246 A N G >< S+ 0 0 32 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.508 83.3 87.7 -81.5 -3.1 -19.6 17.8 -27.5 246 247 A S G X + 0 0 0 -3,-1.2 3,-2.2 -4,-0.4 -1,-0.3 0.635 65.6 89.4 -68.6 -11.2 -16.2 17.2 -29.1 247 248 A N G X S+ 0 0 12 -3,-1.1 3,-1.7 1,-0.3 -1,-0.3 0.770 71.2 70.5 -54.4 -26.9 -16.5 13.7 -27.6 248 249 A V G < S+ 0 0 83 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.675 95.5 53.8 -69.6 -14.2 -18.2 12.5 -30.8 249 250 A H G < S+ 0 0 92 -3,-2.2 2,-0.6 -4,-0.1 -1,-0.3 0.414 90.9 88.5 -95.7 -2.8 -14.8 12.9 -32.6 250 251 A S < 0 0 32 -3,-1.7 -28,-0.2 -4,-0.3 -247,-0.1 -0.873 360.0 360.0-100.0 123.1 -13.1 10.7 -30.1 251 252 A K 0 0 160 -2,-0.6 -1,-0.2 -29,-0.3 -28,-0.1 0.746 360.0 360.0 -99.7 360.0 -13.2 7.0 -31.0