==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-AUG-08 3E1H . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA; . AUTHOR A.GOYAL,A.RAHMAN,R.SANKARANARAYANAN . 766 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 0 0 0 6 3 5 0 0 1 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 2 1 0 0 2 2 4 2 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 . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 8 A G 0 0 97 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -54.8 2.9 -26.6 -39.9 2 9 A E - 0 0 168 1,-0.2 227,-0.1 2,-0.1 0, 0.0 -0.941 360.0-179.8-110.1 108.1 5.2 -24.4 -41.8 3 10 A L - 0 0 26 -2,-0.7 -1,-0.2 225,-0.2 3,-0.1 0.809 24.3-148.6 -75.3 -29.8 7.6 -22.8 -39.3 4 11 A G + 0 0 45 1,-0.2 2,-0.4 -3,-0.1 212,-0.1 0.829 43.9 147.1 62.0 33.6 9.4 -20.8 -42.0 5 12 A L E +A 228 0A 3 223,-0.6 223,-2.4 210,-0.1 2,-0.3 -0.870 20.7 172.7-100.6 134.6 12.6 -21.0 -40.1 6 13 A S E -AB 227 213A 9 207,-2.0 207,-2.8 -2,-0.4 2,-0.9 -0.993 38.4-132.2-151.3 136.6 15.8 -21.2 -42.2 7 14 A I E +AB 226 212A 0 219,-3.7 218,-2.5 -2,-0.3 219,-1.4 -0.783 30.6 171.8 -83.7 105.1 19.6 -21.1 -41.9 8 15 A T E + 0 0 18 203,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.572 61.7 20.7 -97.2 -12.4 20.5 -18.6 -44.6 9 16 A G E - B 0 211A 0 202,-0.7 202,-1.7 89,-0.1 2,-0.3 -0.973 55.3-176.4-148.7 165.1 24.1 -18.4 -43.7 10 17 A L E + B 0 210A 5 83,-0.3 2,-0.3 -2,-0.3 200,-0.2 -0.968 5.6 176.9-155.1 157.0 27.0 -20.2 -41.9 11 18 A G E - B 0 209A 3 198,-1.7 198,-2.9 -2,-0.3 2,-0.3 -0.944 8.0-165.8-165.9 143.7 30.6 -19.3 -41.1 12 19 A V E - B 0 208A 14 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.980 0.8-171.0-136.3 139.9 33.5 -21.0 -39.2 13 20 A Q E - B 0 207A 52 194,-2.8 194,-0.8 -2,-0.3 77,-0.1 -0.844 5.4-170.2-139.9 102.6 36.8 -19.5 -38.0 14 21 A Y - 0 0 28 -2,-0.3 192,-0.2 192,-0.2 -2,-0.0 -0.565 34.8 -96.8 -84.9 151.5 39.5 -21.7 -36.5 15 22 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.205 33.1-110.3 -66.1 161.7 42.6 -20.2 -34.9 16 23 A P S S+ 0 0 107 0, 0.0 3,-0.2 0, 0.0 40,-0.1 0.897 118.0 42.4 -61.7 -47.3 45.9 -19.8 -36.8 17 24 A Y S S+ 0 0 126 38,-0.6 39,-0.2 1,-0.2 40,-0.0 0.654 80.1 138.8 -76.0 -14.4 47.9 -22.4 -35.0 18 25 A S + 0 0 13 37,-0.5 35,-0.3 -3,-0.2 -1,-0.2 0.330 47.4 76.7 11.4-101.3 44.9 -24.6 -35.2 19 26 A L + 0 0 109 -3,-0.2 35,-0.2 -4,-0.2 -1,-0.1 0.103 64.0 178.4 -33.6 87.4 46.8 -27.8 -36.2 20 27 A G B -R 53 0B 9 33,-1.3 33,-0.8 38,-0.1 -1,-0.1 -0.928 23.5-137.4 -97.0 110.9 48.1 -28.6 -32.7 21 28 A P > - 0 0 60 0, 0.0 3,-1.1 0, 0.0 4,-0.2 -0.009 22.1-103.3 -63.9 171.0 50.0 -31.9 -33.2 22 29 A D T 3> S+ 0 0 38 1,-0.2 4,-0.5 29,-0.2 3,-0.4 0.767 116.6 68.9 -67.2 -23.6 49.9 -34.8 -30.8 23 30 A A H 3> S+ 0 0 46 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.661 77.9 93.2 -66.1 -17.2 53.4 -33.9 -29.4 24 31 A I H <> S+ 0 0 24 -3,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.865 89.4 30.3 -47.1 -65.3 51.8 -30.8 -27.8 25 32 A D H 4 S+ 0 0 1 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.699 115.6 62.5 -76.6 -19.4 50.8 -31.8 -24.3 26 33 A I H >< S+ 0 0 65 -4,-0.5 3,-1.5 1,-0.2 -2,-0.2 0.960 110.0 38.3 -62.4 -53.0 53.7 -34.3 -24.1 27 34 A L H 3< S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.755 100.4 77.1 -73.9 -19.5 56.3 -31.6 -24.5 28 35 A S T 3< S+ 0 0 5 -4,-1.1 2,-0.5 -5,-0.3 3,-0.4 0.477 70.6 92.3 -70.2 0.3 54.1 -29.4 -22.3 29 36 A K < + 0 0 45 -3,-1.5 -1,-0.3 1,-0.2 5,-0.1 -0.324 42.0 106.6 -89.1 48.9 55.5 -31.5 -19.4 30 37 A R S S+ 0 0 119 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.192 85.2 54.1 -89.4 8.4 58.3 -29.0 -18.9 31 38 A Y S S+ 0 0 61 -3,-0.4 -2,-0.2 1,-0.3 -1,-0.1 0.589 108.6 36.0-120.2 -19.1 56.0 -28.5 -15.9 32 39 A H S S- 0 0 24 159,-0.0 -1,-0.3 3,-0.0 2,-0.2 -1.000 71.2-126.3-141.2 137.9 55.5 -31.9 -14.3 33 40 A P - 0 0 90 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.528 53.5 -79.1 -73.9 152.1 57.8 -34.9 -13.7 34 41 A E + 0 0 149 -2,-0.2 3,-0.1 -5,-0.1 157,-0.0 -0.135 57.6 170.9 -53.6 145.4 56.3 -38.2 -14.9 35 42 A S > - 0 0 17 1,-0.1 4,-3.1 -3,-0.1 5,-0.2 -0.961 44.9-103.3-150.0 160.6 53.7 -39.9 -12.7 36 43 A P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.960 120.1 43.2 -52.5 -57.9 51.3 -42.9 -13.1 37 44 A A H > S+ 0 0 8 1,-0.2 4,-0.8 2,-0.2 154,-0.1 0.799 115.6 51.3 -62.3 -29.1 48.1 -40.9 -13.7 38 45 A M H >> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 3,-0.9 0.934 106.9 51.6 -71.5 -48.3 50.1 -38.6 -16.1 39 46 A K H 3X S+ 0 0 146 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.880 108.1 55.1 -53.4 -37.7 51.5 -41.5 -18.1 40 47 A K H 3X S+ 0 0 122 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.765 108.1 46.5 -70.5 -27.0 47.9 -42.8 -18.5 41 48 A V H < S+ 0 0 30 -4,-1.4 3,-1.4 -5,-0.3 -1,-0.2 0.935 110.0 47.7 -73.3 -50.9 48.6 -42.7 -23.5 44 51 A I H >X S+ 0 0 46 -4,-1.8 3,-2.9 1,-0.3 4,-0.7 0.881 100.4 69.8 -58.0 -38.8 44.9 -41.9 -23.9 45 52 A N T 3< S+ 0 0 6 -4,-3.2 3,-0.5 1,-0.3 5,-0.3 0.817 100.3 47.4 -42.8 -37.3 46.0 -38.8 -25.8 46 53 A R T <4 S+ 0 0 133 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.300 106.9 56.7 -95.8 11.7 47.1 -41.2 -28.6 47 54 A Y T <4 S+ 0 0 171 -3,-2.9 -1,-0.2 -4,-0.1 -2,-0.2 0.409 80.5 86.4-115.8 -3.6 43.8 -43.3 -28.6 48 55 A T S < S- 0 0 11 -4,-0.7 -2,-0.1 -3,-0.5 3,-0.1 0.772 89.6-130.2 -70.9 -27.5 41.3 -40.5 -29.2 49 56 A G + 0 0 52 1,-0.3 2,-0.6 -4,-0.2 -3,-0.1 0.737 60.1 140.5 77.5 23.6 41.7 -40.7 -33.0 50 57 A I - 0 0 18 -5,-0.3 -1,-0.3 1,-0.2 277,-0.2 -0.911 31.2-173.9 -97.0 121.0 42.2 -37.0 -33.2 51 58 A D + 0 0 97 276,-2.1 2,-0.3 -2,-0.6 277,-0.2 0.980 68.4 5.4 -73.6 -71.1 44.9 -36.1 -35.7 52 59 A Q - 0 0 44 275,-1.5 2,-0.4 -31,-0.1 -1,-0.2 -0.755 65.9-149.9-114.5 163.6 45.2 -32.3 -35.2 53 60 A R B -R 20 0B 19 -33,-0.8 -33,-1.3 -35,-0.3 277,-0.2 -0.987 20.4-118.6-141.4 128.0 43.6 -29.9 -32.6 54 61 A S + 0 0 0 275,-1.8 151,-3.0 -2,-0.4 2,-0.3 -0.415 38.8 167.9 -73.7 129.5 42.7 -26.3 -33.1 55 62 A S - 0 0 16 -2,-0.2 -38,-0.6 149,-0.2 -37,-0.5 -1.000 44.2-136.6-145.1 141.2 44.4 -23.8 -30.8 56 63 A I S S+ 0 0 5 -2,-0.3 2,-0.3 -39,-0.2 -1,-0.1 0.555 95.4 20.4 -67.5 -12.6 44.9 -20.0 -30.5 57 64 A G S S- 0 0 7 -39,-0.1 123,-0.0 -42,-0.1 0, 0.0 -0.949 76.5-115.0-145.4 169.0 48.5 -20.7 -29.7 58 65 A N > - 0 0 73 -2,-0.3 3,-1.8 -38,-0.0 -38,-0.1 -0.430 53.6 -84.4 -90.5 175.8 51.3 -23.2 -30.0 59 66 A P T 3 S+ 0 0 32 0, 0.0 -39,-0.0 0, 0.0 5,-0.0 0.705 126.4 60.7 -52.6 -23.3 53.0 -24.9 -26.9 60 67 A D T 3 S+ 0 0 103 3,-0.0 5,-0.1 5,-0.0 -3,-0.0 0.538 71.8 131.8 -84.8 -6.0 55.3 -21.9 -26.5 61 68 A H X - 0 0 45 -3,-1.8 3,-0.9 1,-0.1 -4,-0.1 -0.147 63.5-126.1 -49.3 136.0 52.5 -19.3 -25.9 62 69 A P G > S+ 0 0 97 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.799 102.9 64.0 -56.5 -35.5 53.3 -17.1 -22.9 63 70 A L G 3 S+ 0 0 14 1,-0.3 3,-0.4 2,-0.2 -2,-0.1 0.853 109.2 38.9 -60.2 -36.1 50.0 -17.7 -21.1 64 71 A V G < S+ 0 0 13 -3,-0.9 -1,-0.3 1,-0.2 -3,-0.1 0.091 109.4 63.0-104.6 22.7 50.7 -21.4 -20.7 65 72 A N S < S+ 0 0 42 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.165 72.6 116.1-131.2 16.5 54.4 -21.0 -19.9 66 73 A K S S- 0 0 70 -3,-0.4 -3,-0.0 2,-0.3 0, 0.0 -0.259 82.9-102.7 -77.4 170.6 54.2 -19.0 -16.6 67 74 A P S S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.862 108.4 29.6 -65.7 -32.0 55.5 -20.5 -13.3 68 75 A N S S- 0 0 112 1,-0.1 -2,-0.3 3,-0.0 117,-0.1 -0.749 103.3 -84.3-116.6 164.1 51.9 -21.2 -12.4 69 76 A P - 0 0 11 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 -0.442 61.0 -96.1 -60.2 144.7 48.8 -22.0 -14.3 70 77 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 115,-0.1 -0.329 40.0-113.9 -64.0 146.3 47.2 -18.7 -15.5 71 78 A T > - 0 0 48 1,-0.1 4,-2.2 -3,-0.1 3,-0.3 -0.342 27.1-107.1 -71.9 163.7 44.4 -17.3 -13.4 72 79 A V H > S+ 0 0 1 177,-2.6 4,-2.0 1,-0.3 44,-0.2 0.785 123.7 58.3 -60.7 -29.3 40.8 -17.2 -14.7 73 80 A K H > S+ 0 0 92 176,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.882 106.6 46.9 -64.9 -41.5 41.3 -13.4 -14.9 74 81 A E H > S+ 0 0 42 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.865 108.5 55.1 -72.0 -37.3 44.3 -14.0 -17.3 75 82 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.936 105.1 53.9 -57.1 -47.9 42.3 -16.6 -19.3 76 83 A H H X S+ 0 0 31 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.892 103.8 56.8 -54.1 -42.4 39.6 -13.9 -19.9 77 84 A E H X S+ 0 0 97 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.934 112.8 38.2 -57.5 -51.0 42.2 -11.5 -21.2 78 85 A V H X>S+ 0 0 18 -4,-1.6 4,-2.9 2,-0.2 5,-0.8 0.724 111.1 60.8 -72.7 -26.0 43.3 -13.9 -23.9 79 86 A F H X>S+ 0 0 4 -4,-2.5 5,-1.3 3,-0.2 4,-0.9 0.903 113.8 37.4 -63.0 -41.9 39.7 -15.0 -24.5 80 87 A M H <5S+ 0 0 37 -4,-2.6 4,-0.4 3,-0.2 -2,-0.2 0.918 121.3 46.0 -69.8 -45.8 39.1 -11.3 -25.4 81 88 A S H <5S+ 0 0 73 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.855 134.4 10.1 -69.5 -38.1 42.4 -10.9 -27.1 82 89 A D H <5S+ 0 0 50 -4,-2.9 4,-0.4 -5,-0.1 -3,-0.2 0.608 125.0 54.2-121.4 -21.7 42.3 -14.1 -29.2 83 90 A G T X S+ 0 0 73 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.869 107.2 52.8 -51.0 -29.3 38.5 -12.0 -33.3 86 93 A L H > S+ 0 0 12 -3,-0.5 4,-2.8 -4,-0.4 -2,-0.2 0.935 108.0 46.9 -68.1 -47.7 37.4 -15.5 -34.1 87 94 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.839 112.4 52.0 -63.2 -34.1 33.7 -14.9 -33.2 88 95 A V H X S+ 0 0 21 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.904 112.5 44.0 -67.5 -42.4 33.8 -11.7 -35.3 89 96 A E H X S+ 0 0 58 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.920 113.0 51.3 -72.7 -41.7 35.1 -13.4 -38.3 90 97 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 3,-0.2 0.960 114.3 43.8 -53.4 -55.1 32.8 -16.4 -38.0 91 98 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.900 109.9 55.9 -60.7 -46.6 29.8 -14.1 -37.7 92 99 A R H X S+ 0 0 126 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.881 109.2 47.6 -50.1 -44.8 31.1 -11.8 -40.6 93 100 A K H X S+ 0 0 75 -4,-2.2 4,-2.0 -3,-0.2 -83,-0.3 0.853 109.9 51.8 -69.9 -38.1 31.2 -14.9 -42.9 94 101 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.908 112.3 45.2 -62.6 -43.9 27.7 -16.1 -41.9 95 102 A M H X>S+ 0 0 12 -4,-2.3 5,-2.7 2,-0.2 4,-0.7 0.841 109.1 57.0 -71.0 -35.1 26.1 -12.7 -42.7 96 103 A A H ><5S+ 0 0 57 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.945 110.0 43.3 -60.9 -50.5 28.0 -12.4 -45.9 97 104 A E H 3<5S+ 0 0 73 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.918 112.9 53.2 -60.3 -43.6 26.6 -15.7 -47.2 98 105 A A H 3<5S- 0 0 17 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.645 109.0-129.4 -65.5 -14.3 23.1 -14.6 -45.9 99 106 A R T <<5 + 0 0 226 -3,-0.9 2,-0.4 -4,-0.7 -3,-0.2 0.953 56.1 153.9 57.4 51.5 23.6 -11.4 -47.8 100 107 A L < - 0 0 24 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.911 40.9-143.9-119.9 143.7 22.7 -9.5 -44.7 101 108 A V > - 0 0 90 -2,-0.4 3,-2.7 -3,-0.1 4,-0.4 -0.790 30.7-112.8-103.4 140.2 23.6 -6.0 -43.5 102 109 A P G > S+ 0 0 44 0, 0.0 3,-2.3 0, 0.0 30,-0.5 0.841 113.7 61.1 -40.8 -51.2 24.3 -5.4 -39.8 103 110 A A G 3 S+ 0 0 84 1,-0.3 28,-0.1 28,-0.1 27,-0.0 0.539 97.7 62.9 -57.8 -8.0 21.2 -3.2 -39.2 104 111 A Q G < S+ 0 0 87 -3,-2.7 2,-0.5 65,-0.0 -1,-0.3 0.626 74.4 102.1 -92.8 -17.7 19.0 -6.2 -40.3 105 112 A I < + 0 0 4 -3,-2.3 27,-0.4 -4,-0.4 66,-0.2 -0.605 43.8 176.3 -74.1 120.5 20.1 -8.5 -37.4 106 113 A T + 0 0 36 64,-1.7 30,-1.3 -2,-0.5 2,-0.3 0.653 61.6 21.1-100.5 -25.7 17.3 -8.4 -34.9 107 114 A H E -cd 136 171A 0 63,-1.4 65,-2.2 28,-0.2 2,-0.4 -0.979 56.7-158.4-139.4 158.2 18.6 -10.9 -32.3 108 115 A M E -cd 137 172A 0 28,-2.3 30,-2.5 -2,-0.3 2,-0.5 -0.988 6.9-176.0-134.5 128.7 21.8 -12.4 -31.2 109 116 A V E +cd 138 173A 0 63,-2.7 65,-2.6 -2,-0.4 2,-0.3 -0.986 15.2 173.0-122.5 120.6 22.1 -15.7 -29.3 110 117 A S E -cd 139 174A 0 28,-3.2 30,-3.7 -2,-0.5 2,-0.3 -0.876 11.4-165.8-126.4 157.5 25.6 -16.7 -28.1 111 118 A T E +cd 140 175A 0 63,-1.5 65,-1.8 -2,-0.3 2,-0.3 -0.968 14.9 151.0-140.8 155.1 27.2 -19.4 -26.0 112 119 A T - 0 0 2 28,-0.9 30,-0.2 -2,-0.3 31,-0.2 -0.865 23.7-171.7-173.5 149.4 30.5 -20.3 -24.3 113 120 A C S S+ 0 0 3 -2,-0.3 64,-0.1 63,-0.2 32,-0.1 0.327 83.1 73.1-121.1 -2.0 31.7 -22.2 -21.3 114 121 A T S S+ 0 0 13 62,-0.4 2,-0.3 30,-0.1 63,-0.1 0.189 98.0 42.0-102.2 20.1 35.3 -21.0 -21.5 115 122 A D - 0 0 6 -36,-0.0 2,-0.3 2,-0.0 -3,-0.1 -0.987 52.6-162.2-157.4 150.1 34.7 -17.4 -20.3 116 123 A S + 0 0 0 -2,-0.3 515,-0.6 -44,-0.2 2,-0.3 -0.996 30.2 151.4-130.9 140.6 32.8 -15.3 -17.8 117 124 A A - 0 0 3 -2,-0.3 409,-0.3 513,-0.1 3,-0.2 -0.993 39.6-123.7-165.0 147.2 32.4 -11.6 -18.3 118 125 A N S S+ 0 0 3 1,-0.5 511,-1.3 -2,-0.3 2,-0.2 -0.894 114.8 28.1-141.5 114.1 30.3 -8.4 -17.6 119 126 A P S S- 0 0 5 0, 0.0 -1,-0.5 0, 0.0 408,-0.2 0.617 115.4-128.9 -61.9 152.6 29.5 -7.2 -20.2 120 127 A G >> - 0 0 1 406,-1.1 3,-1.9 -3,-0.2 4,-0.6 -0.197 23.6 -97.1 -74.4 169.9 29.7 -10.7 -21.7 121 128 A Y H 3> S+ 0 0 1 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.706 117.0 70.4 -66.6 -20.8 31.8 -11.4 -24.8 122 129 A D H 3> S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.705 92.4 61.0 -68.0 -18.6 28.7 -11.1 -27.1 123 130 A H H <> S+ 0 0 11 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.896 104.7 45.5 -71.3 -42.8 28.7 -7.4 -26.5 124 131 A Y H X S+ 0 0 73 -4,-0.6 4,-2.6 -3,-0.3 -2,-0.2 0.867 112.3 53.2 -72.0 -33.6 32.1 -6.8 -27.9 125 132 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.946 108.2 48.7 -64.4 -49.7 31.2 -9.0 -30.9 126 133 A A H X>S+ 0 0 8 -4,-2.1 5,-2.8 2,-0.2 4,-0.6 0.912 112.5 49.6 -56.5 -45.0 28.1 -7.0 -31.6 127 134 A K H ><5S+ 0 0 110 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.974 109.6 50.3 -57.0 -56.9 30.1 -3.7 -31.4 128 135 A E H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 111.5 48.6 -51.6 -38.7 32.8 -5.0 -33.8 129 136 A L H 3<5S- 0 0 21 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.577 113.1-120.0 -78.7 -8.2 30.2 -6.1 -36.3 130 137 A G T <<5 + 0 0 51 -3,-2.2 -3,-0.2 -4,-0.6 -2,-0.1 0.859 50.1 175.5 67.1 40.9 28.5 -2.7 -36.1 131 138 A L < - 0 0 16 -5,-2.8 -28,-0.1 -6,-0.1 -1,-0.1 -0.325 35.2 -80.4 -77.4 162.0 25.2 -4.3 -34.9 132 139 A S > - 0 0 50 -30,-0.5 3,-0.6 -27,-0.4 -1,-0.1 -0.071 24.3-130.8 -61.8 159.4 22.2 -2.2 -33.9 133 140 A D T 3 S+ 0 0 77 1,-0.2 486,-1.0 -3,-0.1 -1,-0.1 0.778 108.6 57.1 -76.9 -31.9 21.8 -0.5 -30.5 134 141 A R T 3 S+ 0 0 119 484,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.020 80.3 137.9 -88.9 27.9 18.3 -2.0 -30.1 135 142 A L < - 0 0 5 -3,-0.6 2,-0.7 -4,-0.1 -28,-0.2 -0.561 50.9-139.0 -75.2 133.2 19.6 -5.5 -30.6 136 143 A E E -c 107 0A 22 -30,-1.3 -28,-2.3 -2,-0.3 2,-0.3 -0.870 26.8-169.0 -94.5 112.3 18.2 -8.2 -28.2 137 144 A K E -c 108 0A 31 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.751 16.5-167.5-104.2 145.6 21.1 -10.4 -27.1 138 145 A V E -c 109 0A 3 -30,-2.5 -28,-3.2 -2,-0.3 2,-0.7 -0.983 3.3-167.0-127.9 120.9 21.0 -13.7 -25.2 139 146 A L E -c 110 0A 6 -2,-0.4 386,-2.1 386,-0.4 2,-0.2 -0.926 17.9-149.1-105.8 106.9 24.3 -15.0 -23.8 140 147 A L E -cE 111 524A 4 -30,-3.7 -28,-0.9 -2,-0.7 2,-0.2 -0.554 18.6-179.7 -81.8 139.3 23.8 -18.6 -22.8 141 148 A H + 0 0 3 382,-1.8 382,-0.3 -2,-0.2 363,-0.2 -0.770 50.7 36.0-125.4 170.1 25.7 -20.2 -19.9 142 149 A G S S+ 0 0 2 -2,-0.2 362,-1.0 -30,-0.2 -1,-0.1 0.540 89.3 90.4 72.6 12.9 25.9 -23.6 -18.1 143 150 A I > + 0 0 21 -31,-0.2 3,-1.7 360,-0.2 4,-0.2 0.370 52.2 177.9-129.0 4.7 25.6 -25.8 -21.1 144 151 A G G > S+ 0 0 1 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.098 70.7 15.5 36.3-119.1 29.0 -26.5 -22.5 145 152 A C G 3 S+ 0 0 11 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.700 123.4 55.6 -63.3 -30.3 29.0 -28.9 -25.5 146 153 A S G <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.248 79.0 104.7 -86.1 15.1 25.3 -28.8 -26.3 147 154 A G H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.2 5,-0.3 0.892 70.7 56.3 -66.0 -43.1 25.5 -25.0 -26.6 148 155 A G H > S+ 0 0 0 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.929 114.6 36.9 -54.5 -53.0 25.5 -24.8 -30.4 149 156 A L H > S+ 0 0 5 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.788 114.6 55.9 -75.2 -29.0 22.2 -26.7 -30.8 150 157 A A H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.915 108.0 48.3 -66.7 -45.2 20.7 -25.1 -27.7 151 158 A A H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.874 111.3 51.9 -61.3 -38.1 21.3 -21.6 -29.1 152 159 A L H X S+ 0 0 1 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.954 111.8 45.3 -60.7 -50.9 19.7 -22.8 -32.4 153 160 A R H X S+ 0 0 12 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.880 114.6 48.3 -59.1 -43.6 16.7 -24.0 -30.5 154 161 A T H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.923 111.4 49.2 -65.7 -47.4 16.5 -20.8 -28.5 155 162 A A H X S+ 0 0 0 -4,-3.0 4,-3.4 2,-0.2 -2,-0.2 0.848 107.3 58.1 -55.7 -36.5 16.9 -18.7 -31.7 156 163 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.949 109.0 42.9 -60.3 -51.5 14.1 -20.9 -33.2 157 164 A N H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.886 114.5 51.2 -58.2 -43.2 11.7 -19.9 -30.4 158 165 A L H X S+ 0 0 2 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.949 106.5 54.5 -62.6 -47.0 12.9 -16.3 -30.7 159 166 A C H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.873 109.9 47.2 -50.1 -44.0 12.3 -16.3 -34.4 160 167 A L H X S+ 0 0 4 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.798 102.7 61.8 -72.7 -31.8 8.7 -17.4 -33.9 161 168 A G H X S+ 0 0 0 -4,-1.7 4,-0.6 -3,-0.3 -1,-0.2 0.889 109.5 43.3 -58.8 -39.3 8.0 -14.8 -31.2 162 169 A H H ><>S+ 0 0 16 -4,-1.6 5,-2.4 2,-0.2 3,-1.0 0.902 111.1 54.9 -72.3 -43.8 8.7 -12.2 -33.9 163 170 A T H ><5S+ 0 0 42 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.880 102.0 57.3 -53.0 -44.6 6.6 -14.2 -36.4 164 171 A A H 3<5S+ 0 0 45 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.791 110.7 45.3 -57.8 -27.6 3.7 -14.2 -34.0 165 172 A R T <<5S- 0 0 91 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.171 117.3-111.9-104.1 11.5 4.0 -10.3 -34.1 166 173 A G T < 5S+ 0 0 53 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.610 73.3 133.6 72.2 13.9 4.4 -10.1 -37.9 167 174 A K < - 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0 0 6 67,-1.9 69,-0.3 -2,-0.3 33,-0.1 -0.852 30.3-158.9 -84.6 118.1 28.7 -33.4 -32.0 299 306 A P + 0 0 3 0, 0.0 68,-0.2 0, 0.0 -1,-0.2 0.845 36.9 142.7 -66.6-113.8 31.9 -35.5 -31.4 300 307 A G S S+ 0 0 13 -98,-0.1 4,-0.2 4,-0.0 -98,-0.1 0.911 79.7 27.8 60.8 93.7 34.0 -35.0 -28.3 301 308 A G S > S- 0 0 11 2,-0.1 4,-0.6 1,-0.1 3,-0.2 0.279 79.9-126.5 89.0 133.1 35.0 -38.6 -27.7 302 309 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.737 106.3 71.6 -77.8 -25.8 35.2 -41.1 -30.5 303 310 A T H > S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.793 89.0 60.4 -60.1 -33.7 32.9 -43.3 -28.5 304 311 A I H > S+ 0 0 12 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.946 109.5 41.7 -58.9 -48.7 30.0 -41.0 -29.2 305 312 A L H X S+ 0 0 0 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.900 119.1 43.6 -67.3 -43.0 30.4 -41.6 -33.0 306 313 A S H X S+ 0 0 57 -4,-2.3 4,-1.4 2,-0.2 5,-0.2 0.887 114.3 52.4 -69.5 -34.7 30.9 -45.3 -32.6 307 314 A G H X S+ 0 0 7 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.891 109.7 48.4 -64.7 -41.2 28.1 -45.4 -30.0 308 315 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 6,-0.4 0.883 103.9 61.6 -67.5 -37.8 25.8 -43.7 -32.5 309 316 A E H X>S+ 0 0 33 -4,-1.9 5,-3.0 1,-0.2 4,-0.7 0.888 117.2 27.4 -57.3 -44.5 26.7 -46.1 -35.3 310 317 A S H <5S+ 0 0 83 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.816 116.7 59.0 -90.4 -32.1 25.4 -49.2 -33.5 311 318 A A H <5S+ 0 0 35 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.908 125.0 22.0 -59.9 -41.8 22.7 -47.6 -31.3 312 319 A M H <5S- 0 0 15 -4,-2.2 -21,-0.3 -5,-0.2 -1,-0.2 0.581 112.9-109.2-103.0 -13.9 20.9 -46.3 -34.4 313 320 A G T <5 + 0 0 51 -4,-0.7 -3,-0.2 -5,-0.4 2,-0.2 0.858 66.1 149.3 84.3 42.8 22.3 -48.7 -37.0 314 321 A L < - 0 0 16 -5,-3.0 -1,-0.2 -6,-0.4 -23,-0.1 -0.512 44.6-129.2-105.4 169.0 24.6 -46.2 -38.9 315 322 A T > - 0 0 51 -2,-0.2 3,-1.1 -24,-0.1 4,-0.5 -0.851 34.1-110.5-107.6 151.5 27.8 -46.3 -40.8 316 323 A P G > S+ 0 0 47 0, 0.0 3,-1.7 0, 0.0 7,-0.3 0.843 119.1 60.2 -45.3 -37.3 30.6 -43.9 -40.0 317 324 A E G > S+ 0 0 91 1,-0.3 3,-2.3 2,-0.2 36,-0.3 0.819 85.2 74.4 -69.1 -32.2 29.9 -42.1 -43.3 318 325 A H G < S+ 0 0 16 -3,-1.1 -23,-2.3 1,-0.3 -1,-0.3 0.755 112.6 29.9 -44.3 -28.8 26.3 -41.4 -42.2 319 326 A M G <> S+ 0 0 2 -3,-1.7 4,-1.7 -4,-0.5 3,-0.4 -0.327 78.7 143.8-129.2 51.6 28.2 -38.8 -40.1 320 327 A R H <> S+ 0 0 15 -3,-2.3 4,-2.0 1,-0.2 -2,-0.1 0.800 71.4 55.2 -61.2 -31.3 31.2 -38.1 -42.4 321 328 A A H > S+ 0 0 2 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 103.2 55.4 -75.2 -34.7 31.2 -34.4 -41.4 322 329 A S H > S+ 0 0 0 -27,-0.4 4,-2.2 -3,-0.4 -2,-0.2 0.945 109.5 46.9 -57.7 -49.8 31.4 -35.2 -37.8 323 330 A Y H X S+ 0 0 58 -4,-1.7 4,-3.3 -7,-0.3 5,-0.4 0.918 107.5 56.3 -61.0 -44.5 34.6 -37.3 -38.4 324 331 A D H X S+ 0 0 26 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.880 113.2 40.6 -56.9 -42.1 36.2 -34.7 -40.5 325 332 A R H X>S+ 0 0 23 -4,-1.8 4,-1.3 2,-0.2 5,-0.6 0.850 117.5 47.5 -73.2 -38.3 35.9 -32.1 -37.7 326 333 A Y H X5S+ 0 0 5 -4,-2.2 4,-1.7 3,-0.2 3,-0.4 0.965 115.9 43.1 -68.1 -51.8 36.9 -34.5 -34.9 327 334 A I H <5S+ 0 0 60 -4,-3.3 -276,-2.1 1,-0.2 -275,-1.5 0.917 125.1 33.9 -59.5 -46.1 39.9 -35.9 -36.7 328 335 A N H <5S+ 0 0 52 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.435 136.1 14.2 -97.0 -3.9 41.2 -32.6 -38.0 329 336 A H H <5S- 0 0 24 -4,-1.3 -275,-1.8 -3,-0.4 -3,-0.2 0.480 88.7-136.7-144.1 -12.9 40.2 -30.2 -35.2 330 337 A G << - 0 0 0 -4,-1.7 2,-0.8 -5,-0.6 -127,-0.2 -0.385 55.6 -31.7 76.1-160.6 39.3 -32.1 -32.0 331 338 A N B -s 203 0C 5 -129,-2.4 -127,-1.9 1,-0.1 3,-0.1 -0.828 50.2-176.8-101.1 106.6 36.3 -31.2 -29.9 332 339 A S > - 0 0 0 -2,-0.8 3,-2.0 1,-0.3 -126,-0.2 -0.012 35.0-132.2 -95.1 32.7 35.5 -27.4 -29.9 333 340 A S G > S- 0 0 2 1,-0.3 3,-1.2 2,-0.2 4,-0.4 -0.334 80.5 -3.2 55.1-129.8 32.7 -27.7 -27.4 334 341 A S G 3 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.525 130.2 65.9 -66.1 -9.0 29.6 -25.7 -28.5 335 342 A A G <> S+ 0 0 0 -3,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.639 84.2 73.1 -89.7 -12.8 31.4 -24.4 -31.6 336 343 A T H <> S+ 0 0 0 -3,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.864 85.4 62.5 -70.7 -38.0 31.9 -27.8 -33.3 337 344 A I H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.891 103.9 44.5 -61.2 -49.4 28.3 -28.4 -34.4 338 345 A F H > S+ 0 0 1 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.808 113.7 53.4 -67.6 -29.1 27.9 -25.4 -36.8 339 346 A S H X S+ 0 0 0 -4,-0.9 4,-2.8 2,-0.2 5,-0.3 0.909 107.0 51.1 -67.2 -42.1 31.3 -26.4 -38.1 340 347 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.938 113.5 45.5 -58.4 -45.3 30.0 -29.9 -38.7 341 348 A L H X S+ 0 0 2 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.832 112.1 51.3 -66.2 -37.9 27.0 -28.4 -40.6 342 349 A N H < S+ 0 0 22 -4,-2.2 3,-0.3 1,-0.2 4,-0.2 0.947 114.2 42.6 -64.3 -48.6 29.1 -26.0 -42.6 343 350 A R H >< S+ 0 0 58 -4,-2.8 3,-1.6 1,-0.2 5,-0.5 0.847 105.0 67.6 -64.9 -34.5 31.5 -28.8 -43.7 344 351 A L H 3< S+ 0 0 6 -4,-2.1 4,-0.3 1,-0.3 -1,-0.2 0.890 99.6 47.2 -53.5 -49.5 28.6 -31.1 -44.4 345 352 A R T 3< S+ 0 0 45 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.374 99.1 84.6 -79.2 1.0 27.2 -29.1 -47.3 346 353 A E S X S- 0 0 79 -3,-1.6 3,-1.8 -4,-0.2 2,-1.2 -0.139 115.2 -63.1 -81.0-168.7 30.7 -28.7 -49.0 347 354 A K T 3 S+ 0 0 152 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 -0.083 113.2 99.3 -74.8 37.9 32.1 -31.4 -51.3 348 355 A D T > + 0 0 16 -2,-1.2 2,-2.3 -5,-0.5 3,-2.2 0.525 60.8 89.6 -79.6 -21.5 32.0 -33.7 -48.2 349 356 A M T < S+ 0 0 25 -3,-1.8 9,-0.2 1,-0.3 -1,-0.1 -0.195 70.2 70.4 -76.5 48.3 28.9 -34.7 -50.1 350 357 A D T 3 S+ 0 0 112 -2,-2.3 -1,-0.3 -3,-0.1 -2,-0.1 0.292 86.9 59.8-141.8 -8.6 30.9 -37.3 -52.0 351 358 A A S < S+ 0 0 49 -3,-2.2 -2,-0.1 -34,-0.1 -31,-0.1 -0.014 82.4 168.0-103.5 23.5 31.5 -39.7 -49.1 352 359 A L - 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