==== 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 3QSR . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . 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) . 11023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.7 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 . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.5 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 1 1 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 1 A M 0 0 154 0, 0.0 2,-0.4 0, 0.0 203,-0.0 0.000 360.0 360.0 360.0 116.2 -14.0 1.3 -23.6 2 2 A R - 0 0 69 201,-0.1 2,-0.3 203,-0.1 203,-0.1 -0.658 360.0-115.3 -78.3 130.3 -13.2 4.2 -21.2 3 3 A T - 0 0 50 -2,-0.4 33,-0.1 1,-0.1 -1,-0.1 -0.528 34.5-110.4 -66.8 125.3 -16.0 6.7 -20.9 4 4 A F E -a 36 0A 9 31,-0.6 33,-3.4 -2,-0.3 2,-0.4 -0.295 38.1-153.6 -54.5 140.8 -15.0 10.1 -22.3 5 5 A F E -ab 37 229A 0 223,-3.0 225,-1.4 31,-0.2 2,-0.5 -0.977 17.1-176.2-132.1 123.6 -14.5 12.6 -19.4 6 6 A V E -ab 38 230A 0 31,-2.7 33,-2.1 -2,-0.4 2,-0.5 -0.936 4.0-171.1-125.5 112.2 -14.9 16.4 -19.5 7 7 A G E -ab 39 231A 1 223,-3.0 225,-3.5 -2,-0.5 2,-0.8 -0.871 12.3-150.5 -99.5 126.7 -14.1 18.5 -16.4 8 8 A G E -ab 40 232A 1 31,-3.0 33,-3.2 -2,-0.5 2,-0.9 -0.866 10.1-163.9 -97.4 107.8 -15.0 22.1 -16.5 9 9 A N E -a 41 0A 5 223,-3.0 227,-0.2 -2,-0.8 33,-0.2 -0.819 11.2-176.9 -95.6 101.7 -12.6 24.0 -14.2 10 10 A W - 0 0 2 31,-2.5 -1,-0.2 -2,-0.9 32,-0.1 0.642 22.9-166.3 -65.5 -18.0 -14.0 27.5 -13.5 11 11 A K - 0 0 60 30,-0.2 2,-1.9 1,-0.2 -1,-0.2 -0.281 65.4 -15.6 55.8-147.6 -10.9 28.3 -11.6 12 12 A A S S+ 0 0 90 -3,-0.1 -1,-0.2 30,-0.1 30,-0.1 -0.397 110.4 159.1 -83.0 61.8 -11.3 31.5 -9.4 13 13 A N + 0 0 63 -2,-1.9 2,-0.1 2,-0.0 -3,-0.1 -0.963 22.3 25.1-147.7 158.6 -14.4 32.5 -11.4 14 14 A P - 0 0 20 0, 0.0 6,-0.0 0, 0.0 3,-0.0 0.681 59.9-136.8 -84.8-170.7 -16.9 34.0 -11.7 15 15 A K S S+ 0 0 177 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.728 81.0 34.4 -75.9 -24.3 -16.9 37.1 -9.5 16 16 A T S > S- 0 0 51 1,-0.1 4,-1.9 30,-0.0 5,-0.1 -0.956 71.7-124.5-139.8 151.5 -20.4 36.8 -8.1 17 17 A V H > S+ 0 0 56 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.828 113.2 59.6 -61.4 -31.9 -23.0 34.1 -7.1 18 18 A E H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 105.3 46.8 -61.7 -47.7 -25.4 35.8 -9.6 19 19 A E H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 110.9 54.3 -61.6 -36.5 -23.0 35.1 -12.5 20 20 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.901 107.8 48.5 -62.9 -41.6 -22.6 31.5 -11.2 21 21 A E H X S+ 0 0 75 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.874 111.2 49.4 -69.9 -36.3 -26.3 30.9 -11.2 22 22 A K H X S+ 0 0 66 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.904 110.6 51.5 -65.5 -42.6 -26.7 32.3 -14.8 23 23 A L H X S+ 0 0 17 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 109.8 49.8 -59.1 -44.6 -23.8 30.0 -15.8 24 24 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 31,-0.3 0.924 107.6 52.7 -59.5 -48.5 -25.5 27.0 -14.2 25 25 A E H X S+ 0 0 63 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.895 108.7 52.1 -57.1 -40.6 -28.8 27.7 -16.0 26 26 A M H >< S+ 0 0 67 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.943 111.2 45.5 -57.7 -50.8 -26.9 27.8 -19.3 27 27 A L H >< S+ 0 0 4 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.805 105.8 61.4 -63.7 -32.6 -25.3 24.4 -18.6 28 28 A N H 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.756 105.5 47.3 -68.1 -23.0 -28.7 23.0 -17.5 29 29 A G T << S+ 0 0 67 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.508 85.1 118.5 -95.0 -6.3 -30.1 23.7 -21.0 30 30 A A < - 0 0 20 -3,-0.8 2,-0.9 -4,-0.4 -3,-0.0 -0.391 62.2-133.6 -68.3 135.7 -27.1 22.2 -22.9 31 31 A K - 0 0 148 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.787 20.5-153.8 -94.3 104.9 -27.9 19.2 -25.2 32 32 A V - 0 0 37 -2,-0.9 2,-0.3 2,-0.0 211,-0.1 -0.637 7.0-160.1 -82.9 130.9 -25.2 16.5 -24.6 33 33 A E - 0 0 95 -2,-0.4 215,-0.2 2,-0.0 216,-0.1 -0.846 51.7 -1.9-108.5 147.8 -24.5 14.1 -27.5 34 34 A G S S- 0 0 59 -2,-0.3 2,-0.5 214,-0.1 212,-0.0 -0.379 103.6 -42.7 79.2-154.4 -22.9 10.7 -27.2 35 35 A N S S+ 0 0 112 -2,-0.1 -31,-0.6 211,-0.1 2,-0.3 -0.969 71.9 147.6-121.1 113.9 -21.5 9.1 -24.0 36 36 A V E -a 4 0A 22 -2,-0.5 2,-0.6 -33,-0.1 -31,-0.2 -0.990 42.5-135.4-154.2 137.0 -19.6 11.5 -21.7 37 37 A E E -a 5 0A 49 -33,-3.4 -31,-2.7 -2,-0.3 2,-0.5 -0.848 29.5-161.9 -93.9 117.7 -18.9 11.9 -18.0 38 38 A V E +a 6 0A 4 -2,-0.6 21,-2.2 19,-0.4 2,-0.4 -0.888 13.6 175.8-112.4 129.8 -19.2 15.6 -17.1 39 39 A V E -ac 7 59A 1 -33,-2.1 -31,-3.0 -2,-0.5 2,-0.5 -0.963 13.6-155.8-127.7 142.2 -17.8 17.2 -13.9 40 40 A V E -ac 8 60A 1 19,-2.6 21,-2.4 -2,-0.4 2,-0.5 -0.974 5.8-159.8-125.1 118.7 -17.9 21.0 -13.1 41 41 A A E +ac 9 61A 3 -33,-3.2 -31,-2.5 -2,-0.5 -30,-0.2 -0.852 19.2 167.8-101.7 130.3 -15.4 22.4 -10.6 42 42 A A - 0 0 0 19,-1.6 21,-0.4 -2,-0.5 5,-0.1 -0.877 42.3 -72.3-136.2 163.9 -16.1 25.8 -8.9 43 43 A P >> - 0 0 23 0, 0.0 3,-2.0 0, 0.0 4,-0.9 -0.246 50.0-111.9 -55.2 146.6 -14.9 28.0 -6.1 44 44 A F G >4 S+ 0 0 73 1,-0.3 3,-1.2 2,-0.2 -2,-0.0 0.859 115.9 55.7 -47.5 -46.8 -15.6 26.6 -2.6 45 45 A I G 34 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.644 109.6 47.0 -70.7 -14.1 -18.1 29.4 -1.8 46 46 A F G <> S+ 0 0 18 -3,-2.0 4,-2.2 2,-0.1 -1,-0.3 0.528 87.1 90.9 -98.9 -10.6 -20.1 28.6 -4.9 47 47 A L H S+ 0 0 49 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.936 111.9 43.8 -57.0 -47.5 -23.4 24.7 -2.3 49 49 A T H > S+ 0 0 17 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.885 115.2 50.6 -65.3 -36.5 -25.4 26.6 -5.0 50 50 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.939 109.7 48.7 -63.7 -49.9 -23.8 24.4 -7.7 51 51 A Q H < S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.9 44.5 -57.9 -39.2 -24.7 21.2 -6.0 52 52 A Q H < S+ 0 0 144 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.853 124.9 27.8 -73.2 -38.6 -28.2 22.4 -5.5 53 53 A K H < S+ 0 0 84 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.669 90.9 103.2-106.1 -20.7 -28.9 23.8 -9.0 54 54 A L S < S- 0 0 13 -4,-2.6 6,-0.1 -5,-0.3 -29,-0.1 -0.439 85.9 -87.6 -71.7 137.9 -26.7 21.9 -11.5 55 55 A R > - 0 0 44 -31,-0.3 3,-1.5 -2,-0.2 -1,-0.1 -0.073 36.4-129.2 -39.5 134.9 -28.3 19.2 -13.7 56 56 A K T 3 S+ 0 0 95 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.556 102.0 67.1 -76.6 -10.8 -28.2 15.9 -11.8 57 57 A D T 3 S+ 0 0 102 2,-0.1 -19,-0.4 -20,-0.0 2,-0.3 0.521 99.0 61.7 -87.0 -7.1 -26.6 14.0 -14.6 58 58 A W S < S- 0 0 11 -3,-1.5 2,-0.3 -21,-0.1 -19,-0.2 -0.765 82.5-131.2-107.5 163.7 -23.5 16.0 -14.1 59 59 A K E -c 39 0A 86 -21,-2.2 -19,-2.6 -2,-0.3 2,-0.3 -0.888 9.5-126.9-120.2 149.5 -21.3 16.1 -11.0 60 60 A V E -c 40 0A 4 -2,-0.3 29,-1.1 -21,-0.2 28,-0.6 -0.652 25.1-167.5 -92.0 147.9 -19.9 18.9 -8.9 61 61 A S E -cd 41 89A 0 -21,-2.4 -19,-1.6 -2,-0.3 29,-0.3 -0.979 18.7-131.3-134.8 144.8 -16.2 19.1 -8.0 62 62 A A E - d 0 90A 0 27,-2.5 29,-1.9 -2,-0.3 3,-0.1 -0.480 18.5-135.7 -77.2 165.0 -14.1 21.1 -5.6 63 63 A E S S- 0 0 41 -21,-0.4 2,-0.3 1,-0.3 31,-0.2 0.359 82.1 -9.9-101.6 1.1 -10.9 22.7 -7.0 64 64 A N - 0 0 5 28,-0.1 -1,-0.3 29,-0.1 2,-0.3 -0.913 59.4-160.5 177.0 159.8 -8.8 21.6 -4.0 65 65 A V - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 50,-0.1 -0.955 24.7-111.0-149.2 162.0 -9.1 20.1 -0.5 66 66 A F - 0 0 26 11,-2.0 13,-0.2 -2,-0.3 49,-0.1 -0.190 28.5-111.6 -83.9-176.1 -6.8 20.0 2.5 67 67 A T S S+ 0 0 24 11,-0.1 11,-0.1 47,-0.1 -1,-0.1 0.563 90.9 61.9 -94.3 -12.5 -5.1 16.9 4.0 68 68 A K S S- 0 0 106 1,-0.1 11,-0.4 5,-0.0 -2,-0.2 -0.786 78.8-123.5-119.9 158.5 -7.0 16.6 7.2 69 69 A P S S- 0 0 55 0, 0.0 12,-0.3 0, 0.0 2,-0.3 0.837 86.1 -42.7 -66.3 -35.2 -10.7 16.0 8.2 70 70 A N S S+ 0 0 111 10,-0.1 2,-0.3 7,-0.1 7,-0.0 -0.946 81.5 102.4-175.7 176.3 -10.8 19.2 10.2 71 71 A G S S- 0 0 54 -2,-0.3 2,-2.5 -3,-0.1 -3,-0.0 -0.870 74.4 -9.9 133.9-159.9 -8.8 21.2 12.7 72 72 A A S S+ 0 0 98 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.366 83.3 119.0 -80.8 64.1 -6.5 24.2 13.2 73 73 A F > - 0 0 72 -2,-2.5 3,-2.3 3,-0.1 -1,-0.1 -0.591 52.8-155.0-130.2 68.2 -6.1 25.0 9.6 74 74 A T T 3 S+ 0 0 151 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.156 77.6 16.0 -51.6 130.9 -7.5 28.5 9.1 75 75 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.198 98.9 118.1 93.4 -13.5 -8.7 29.1 5.6 76 76 A E < - 0 0 64 -3,-2.3 2,-0.4 -11,-0.0 -1,-0.3 -0.562 51.2-148.0 -92.2 150.8 -8.7 25.5 4.5 77 77 A V - 0 0 32 -2,-0.2 -11,-2.0 -3,-0.1 2,-0.2 -0.936 20.1-150.9-115.2 140.5 -11.7 23.4 3.3 78 78 A T > - 0 0 3 -2,-0.4 4,-1.8 -13,-0.2 3,-0.3 -0.686 25.4-108.1-117.1 164.0 -11.8 19.7 4.0 79 79 A V H > S+ 0 0 1 -11,-0.4 4,-2.8 -2,-0.2 5,-0.2 0.886 114.9 53.2 -56.1 -47.1 -13.1 16.5 2.5 80 80 A P H > S+ 0 0 54 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.895 107.8 52.5 -58.3 -39.4 -15.9 15.9 5.1 81 81 A M H 4 S+ 0 0 85 -3,-0.3 4,-0.4 -12,-0.3 -2,-0.2 0.927 111.9 44.9 -60.1 -48.5 -17.2 19.5 4.5 82 82 A I H ><>S+ 0 0 5 -4,-1.8 5,-1.5 1,-0.2 3,-1.5 0.928 113.5 49.9 -61.6 -47.3 -17.5 19.0 0.8 83 83 A K H ><5S+ 0 0 91 -4,-2.8 3,-2.5 1,-0.3 -1,-0.2 0.838 95.8 70.7 -63.0 -33.1 -19.1 15.5 1.2 84 84 A S T 3<5S+ 0 0 94 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.710 99.9 49.7 -59.9 -17.8 -21.6 16.9 3.6 85 85 A F T < 5S- 0 0 109 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.496 125.9-103.2 -93.3 -6.7 -23.1 18.7 0.6 86 86 A G T < 5S+ 0 0 38 -3,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.578 71.2 150.0 93.5 13.7 -23.2 15.5 -1.5 87 87 A I < + 0 0 3 -5,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.683 22.0 179.2 -87.0 130.3 -20.1 16.5 -3.5 88 88 A E + 0 0 68 -28,-0.6 33,-3.0 -2,-0.4 2,-0.3 0.548 51.4 66.3-110.3 -12.2 -18.0 13.6 -4.7 89 89 A W E +de 61 121A 2 -29,-1.1 -27,-2.5 31,-0.2 2,-0.3 -0.829 45.2 176.4-118.9 150.5 -15.1 15.1 -6.7 90 90 A T E -de 62 122A 0 31,-1.6 33,-2.3 -2,-0.3 2,-0.3 -0.973 25.4-131.5-145.2 143.8 -12.0 17.3 -6.2 91 91 A I E - e 0 123A 1 -29,-1.9 2,-0.3 -2,-0.3 33,-0.2 -0.666 30.1-171.9 -77.8 143.5 -9.2 18.5 -8.4 92 92 A L E + e 0 124A 1 31,-2.6 33,-2.7 -2,-0.3 -28,-0.1 -0.996 55.9 14.3-136.5 144.8 -5.7 18.1 -6.9 93 93 A G + 0 0 1 -2,-0.3 5,-0.1 1,-0.2 31,-0.1 0.609 69.9 176.5 76.2 14.8 -2.3 19.2 -8.0 94 94 A H >> - 0 0 12 -31,-0.2 4,-2.3 1,-0.1 3,-1.4 -0.235 40.9-118.1 -52.9 139.0 -3.4 21.8 -10.5 95 95 A S H 3> S+ 0 0 9 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.798 113.8 59.9 -51.6 -34.8 -0.3 23.7 -11.9 96 96 A E H 3>>S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 5,-1.1 0.860 110.0 41.1 -65.3 -34.1 -1.6 26.9 -10.5 97 97 A R H <45S+ 0 0 66 -3,-1.4 6,-2.3 3,-0.2 -2,-0.2 0.856 114.8 51.1 -79.4 -37.1 -1.6 25.5 -7.0 98 98 A R H <5S+ 0 0 31 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.915 125.5 28.1 -61.7 -42.5 1.8 23.8 -7.5 99 99 A D H ><5S+ 0 0 112 -4,-2.8 3,-0.7 -5,-0.2 -3,-0.2 0.969 131.6 28.3 -84.4 -71.8 3.2 27.1 -8.8 100 100 A I T 3<5S+ 0 0 110 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.930 129.9 37.6 -61.4 -48.6 1.4 30.0 -7.2 101 101 A L T 3 - 0 0 88 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.391 30.5 -99.2 -95.5 177.1 4.7 20.1 -3.5 105 105 A D H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.814 121.2 52.9 -67.0 -32.4 4.3 16.5 -4.4 106 106 A E H > S+ 0 0 132 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 109.8 48.3 -70.1 -41.6 4.4 15.3 -0.8 107 107 A F H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.936 115.7 46.3 -57.9 -45.4 1.5 17.7 0.0 108 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.871 109.3 51.9 -71.7 -39.7 -0.3 16.4 -3.1 109 109 A A H X S+ 0 0 21 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.939 109.8 51.0 -59.9 -46.3 0.3 12.7 -2.4 110 110 A A H X S+ 0 0 44 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.890 110.1 49.8 -57.7 -41.6 -1.1 13.1 1.1 111 111 A K H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.903 110.4 49.1 -64.5 -43.4 -4.2 14.9 -0.3 112 112 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.924 112.7 48.4 -63.7 -44.9 -4.8 12.1 -2.9 113 113 A K H X S+ 0 0 93 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.963 115.5 43.1 -57.2 -55.5 -4.5 9.4 -0.2 114 114 A F H X S+ 0 0 34 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.909 114.5 50.2 -59.9 -45.3 -6.8 11.2 2.3 115 115 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.2 -5,-0.2 3,-0.7 0.952 115.5 41.0 -58.5 -52.7 -9.4 12.1 -0.4 116 116 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.886 111.2 55.5 -66.9 -40.0 -9.7 8.6 -1.8 117 117 A E H 3<5S+ 0 0 99 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.698 107.7 54.4 -65.0 -15.4 -9.6 6.9 1.5 118 118 A N T <<5S- 0 0 59 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.022 126.7 -92.5-112.6 26.6 -12.5 9.1 2.4 119 119 A G T < 5S+ 0 0 40 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.519 81.8 129.9 85.6 8.1 -14.8 8.2 -0.5 120 120 A M < - 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0 0 3 -40,-3.2 2,-2.2 -2,-0.6 3,-0.2 -0.918 17.6-144.6-105.5 118.6 -1.1 20.1 -18.2 167 167 A P > + 0 0 2 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.534 28.4 171.2 -76.6 77.1 1.5 21.3 -20.8 168 168 A I G > S+ 0 0 19 -2,-2.2 3,-2.3 -40,-0.4 -39,-0.2 0.867 72.2 68.1 -59.8 -34.7 2.9 23.9 -18.3 169 169 A W G 3 S+ 0 0 13 -41,-1.6 -1,-0.3 1,-0.3 6,-0.3 0.652 103.6 45.9 -53.5 -17.9 5.7 24.5 -20.8 170 170 A A G < S+ 0 0 24 -3,-2.4 2,-0.7 4,-0.1 -1,-0.3 0.339 92.7 93.3-109.6 4.9 2.9 26.0 -23.0 171 171 A I S < S- 0 0 85 -3,-2.3 -41,-0.1 1,-0.2 5,-0.1 -0.870 110.9 -22.0-105.6 107.3 1.2 28.1 -20.3 172 172 A G S S+ 0 0 89 -2,-0.7 -1,-0.2 3,-0.1 -2,-0.1 0.817 113.2 102.6 68.0 33.1 2.5 31.7 -20.1 173 173 A T S S- 0 0 52 2,-0.3 3,-0.1 -3,-0.2 -2,-0.1 0.559 92.9-109.5-122.8 -15.4 5.7 30.7 -21.9 174 174 A G S S+ 0 0 88 1,-0.4 2,-0.3 -4,-0.2 -4,-0.1 0.517 86.1 107.4 89.9 8.1 5.4 31.9 -25.4 175 175 A K - 0 0 32 -6,-0.3 -1,-0.4 2,-0.0 2,-0.3 -0.906 55.3-150.2-117.3 147.6 5.1 28.3 -26.7 176 176 A V - 0 0 130 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 -0.881 12.7-128.2-116.1 150.6 2.0 26.5 -28.0 177 177 A A - 0 0 30 -2,-0.3 2,-0.2 -7,-0.2 35,-0.0 -0.772 18.0-142.6 -98.4 139.8 1.1 22.8 -27.9 178 178 A S > - 0 0 53 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.508 28.4-108.7 -89.4 165.8 0.1 20.8 -30.9 179 179 A T H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.875 122.5 55.6 -56.8 -40.3 -2.5 18.1 -31.0 180 180 A Q H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.874 102.7 55.5 -63.8 -37.6 0.3 15.6 -31.5 181 181 A D H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.927 107.2 49.4 -57.7 -47.9 2.0 16.9 -28.3 182 182 A A H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.942 112.6 46.7 -59.2 -49.3 -1.2 16.2 -26.3 183 183 A Q H X S+ 0 0 31 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.913 110.5 53.3 -59.5 -45.2 -1.5 12.7 -27.6 184 184 A E H X S+ 0 0 106 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.898 112.2 42.8 -59.1 -43.9 2.2 12.0 -27.0 185 185 A M H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.870 111.1 53.6 -77.5 -35.2 2.1 13.0 -23.3 186 186 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.919 111.6 47.7 -60.4 -41.7 -1.2 11.2 -22.6 187 187 A K H X S+ 0 0 82 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.911 107.8 55.8 -61.7 -45.4 0.4 8.1 -24.1 188 188 A V H X S+ 0 0 28 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 109.4 47.0 -51.8 -47.5 3.5 8.7 -21.9 189 189 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.962 110.8 50.7 -62.4 -50.0 1.3 8.7 -18.8 190 190 A R H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.891 109.9 50.4 -57.2 -41.3 -0.6 5.6 -19.8 191 191 A D H X S+ 0 0 75 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.878 107.6 53.8 -64.8 -39.0 2.7 3.7 -20.4 192 192 A I H X S+ 0 0 22 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.919 110.3 47.4 -59.0 -45.4 4.0 4.8 -17.0 193 193 A L H X>S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.9 0.936 112.2 49.6 -60.9 -46.8 0.8 3.4 -15.4 194 194 A A H X5S+ 0 0 37 -4,-2.6 4,-1.1 3,-0.2 5,-0.2 0.926 114.3 44.6 -60.1 -45.0 1.1 0.1 -17.4 195 195 A A H <5S+ 0 0 92 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.915 124.3 33.4 -65.0 -42.5 4.8 -0.3 -16.4 196 196 A K H <5S+ 0 0 60 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.884 137.0 12.5 -86.2 -41.2 4.3 0.6 -12.7 197 197 A V H <5S- 0 0 43 -4,-3.3 4,-0.3 -5,-0.3 -3,-0.2 0.392 111.2 -90.4-124.0 1.1 0.8 -0.8 -11.9 198 198 A G X< - 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0 0 81 -45,-0.1 2,-0.5 20,-0.1 -1,-0.2 -0.569 65.4-179.0 -73.6 110.5 -5.8 25.0 -24.0 213 213 A V + 0 0 6 -2,-0.7 22,-0.4 -3,-0.1 20,-0.2 -0.954 10.0 157.9-113.5 124.3 -9.0 23.4 -25.1 214 214 A K >> - 0 0 100 -2,-0.5 3,-1.7 20,-0.1 4,-1.6 -0.885 57.6 -96.4-136.5 167.1 -11.5 25.4 -27.2 215 215 A P T 34 S+ 0 0 57 0, 0.0 4,-0.4 0, 0.0 -1,-0.0 0.817 121.2 60.5 -53.2 -28.7 -14.3 24.8 -29.6 216 216 A N T 34 S+ 0 0 109 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.578 119.4 21.7 -80.6 -8.3 -11.7 25.2 -32.5 217 217 A N T <> S+ 0 0 39 -3,-1.7 4,-2.3 2,-0.1 5,-0.2 0.419 94.7 92.6-133.4 0.3 -9.5 22.3 -31.4 218 218 A C H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 5,-0.1 0.859 87.1 51.1 -69.2 -36.0 -11.6 19.9 -29.2 219 219 A N H > S+ 0 0 69 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.932 112.7 45.4 -64.8 -46.7 -12.7 17.6 -32.0 220 220 A E H 4 S+ 0 0 105 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.932 116.5 45.2 -63.1 -47.3 -9.1 17.1 -33.3 221 221 A L H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.869 107.0 59.9 -63.2 -37.7 -7.8 16.5 -29.8 222 222 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.875 97.9 59.5 -60.5 -37.6 -10.7 14.2 -28.9 223 223 A A T 3< S+ 0 0 59 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.678 76.3 112.7 -67.2 -19.4 -9.7 11.8 -31.7 224 224 A X S X S- 0 0 29 -3,-1.3 3,-1.8 -4,-0.5 -3,-0.0 -0.392 73.4-130.8 -56.8 126.2 -6.2 11.3 -30.2 225 225 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.800 101.6 39.3 -54.1 -38.7 -6.2 7.6 -29.1 226 226 A D T 3 S+ 0 0 20 -43,-0.1 2,-0.7 -20,-0.0 -19,-0.2 0.419 91.8 97.4 -95.9 3.2 -4.8 8.2 -25.6 227 227 A V < + 0 0 0 -3,-1.8 -19,-0.2 -6,-0.2 3,-0.1 -0.822 45.2 178.8 -94.7 112.3 -6.8 11.4 -24.8 228 228 A D - 0 0 9 -21,-3.3 -223,-3.0 -2,-0.7 2,-0.3 0.301 60.1 -59.6 -98.2 10.0 -9.9 10.4 -22.8 229 229 A G E -b 5 0A 0 -22,-0.4 -20,-2.7 -225,-0.2 2,-0.3 -0.982 62.1 -76.1 145.1-157.3 -11.2 14.0 -22.5 230 230 A F E -bh 6 209A 0 -225,-1.4 -223,-3.0 -2,-0.3 2,-0.7 -0.979 6.6-141.8-145.4 148.5 -10.3 17.4 -21.0 231 231 A L E -b 7 0A 7 -22,-1.6 2,-0.3 -2,-0.3 -223,-0.2 -0.965 43.7-152.4-103.7 105.6 -9.9 19.5 -18.0 232 232 A V E -b 8 0A 1 -225,-3.5 -223,-3.0 -2,-0.7 -20,-0.1 -0.603 19.6-177.5 -90.4 138.5 -11.2 22.7 -19.5 233 233 A G S > S+ 0 0 18 -22,-0.3 3,-2.0 -2,-0.3 4,-0.3 0.588 70.6 2.4 -94.5-110.1 -10.1 26.2 -18.3 234 234 A G G > S+ 0 0 51 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.800 123.4 62.4 -52.0 -40.9 -11.6 29.4 -19.7 235 235 A A G > S+ 0 0 7 -22,-0.4 3,-1.5 1,-0.3 6,-0.6 0.681 88.0 73.1 -63.1 -17.6 -14.0 27.7 -22.2 236 236 A S G < S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.635 94.3 53.2 -74.8 -11.9 -15.9 26.2 -19.2 237 237 A L G < S+ 0 0 56 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.416 107.5 68.2 -93.5 -1.6 -17.3 29.6 -18.4 238 238 A E S X S- 0 0 105 -3,-1.5 3,-1.8 -4,-0.2 4,-0.2 -0.695 93.3-107.3-120.2 165.4 -18.5 30.0 -22.0 239 239 A P T > S+ 0 0 93 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.739 110.9 76.6 -61.8 -23.2 -21.2 28.4 -24.3 240 240 A G T 3> S+ 0 0 10 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.673 72.5 84.0 -61.9 -16.3 -18.3 26.7 -26.1 241 241 A F H <> S+ 0 0 2 -3,-1.8 4,-2.5 -6,-0.6 -1,-0.3 0.841 84.8 54.8 -55.9 -36.7 -18.2 24.3 -23.2 242 242 A I H <> S+ 0 0 36 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.853 103.4 55.0 -69.9 -34.0 -20.9 22.1 -24.7 243 243 A N H 4 S+ 0 0 82 -4,-0.5 4,-0.5 -3,-0.5 -1,-0.2 0.903 109.7 48.4 -60.4 -40.6 -19.0 21.8 -27.9 244 244 A I H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 4,-0.3 0.933 110.9 48.6 -67.3 -45.0 -16.1 20.4 -25.8 245 245 A V H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.879 112.9 50.1 -59.3 -36.7 -18.4 18.0 -23.9 246 246 A N G >< S+ 0 0 32 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.494 83.8 87.7 -83.4 -3.7 -19.8 16.9 -27.3 247 247 A S G X + 0 0 0 -3,-1.1 3,-2.6 -4,-0.5 -1,-0.2 0.706 65.9 89.6 -64.8 -17.0 -16.3 16.3 -28.8 248 248 A N G X + 0 0 13 -3,-0.9 3,-1.9 1,-0.3 -1,-0.3 0.749 69.7 71.0 -53.1 -28.3 -16.7 12.9 -27.3 249 249 A V G < S+ 0 0 83 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.568 96.0 53.9 -68.2 -8.1 -18.3 11.6 -30.5 250 250 A H G < 0 0 90 -3,-2.6 -1,-0.3 -4,-0.1 -2,-0.2 0.264 360.0 360.0-105.6 9.4 -14.9 11.9 -32.2 251 251 A S < 0 0 83 -3,-1.9 -28,-0.2 -4,-0.1 -247,-0.1 -0.823 360.0 360.0-101.7 360.0 -13.1 9.8 -29.6