==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 02-APR-11 3RE2 . COMPND 2 MOLECULE: PREDICTED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEMATOSTELLA VECTENSIS; . AUTHOR M.J.MURAI,M.CHRUSZCZ,G.REDDY,J.GREMBECKA,T.CIERPICKI . 435 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.2 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 0 0 2 1 1 2 0 4 1 1 4 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 4 A K 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.6 8.9 38.7 -3.5 2 5 A S + 0 0 81 2,-0.0 0, 0.0 14,-0.0 0, 0.0 0.550 360.0 109.3-102.0 -4.6 11.3 35.7 -3.8 3 6 A I - 0 0 32 1,-0.1 2,-1.7 48,-0.0 4,-0.0 -0.559 62.7-140.9 -79.0 119.2 10.1 33.5 -0.9 4 7 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.571 38.4-123.9 -80.6 86.0 8.2 30.3 -2.0 5 8 A F S S+ 0 0 45 -2,-1.7 45,-0.1 2,-0.1 2,-0.1 -0.458 85.5 54.5 -69.6 145.8 5.5 30.1 0.6 6 9 A P - 0 0 55 0, 0.0 2,-0.8 0, 0.0 44,-0.2 0.478 69.8-159.4 -79.6 145.4 4.6 28.0 2.5 7 10 A L B +A 49 0A 0 42,-2.3 42,-2.8 1,-0.1 -2,-0.1 -0.816 31.9 148.6 -86.6 111.5 8.0 27.6 4.2 8 11 A K + 0 0 112 -2,-0.8 2,-0.3 40,-0.2 -1,-0.1 0.137 48.0 53.3-139.6 25.9 7.6 24.2 5.8 9 12 A D S > S- 0 0 76 1,-0.1 4,-1.6 37,-0.1 3,-0.4 -0.989 77.1-115.7-153.7 159.6 11.1 22.6 5.9 10 13 A I H > S+ 0 0 35 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.903 112.9 58.9 -58.1 -46.1 14.6 23.4 7.0 11 14 A K H > S+ 0 0 171 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 105.8 49.4 -53.0 -43.2 16.0 23.4 3.5 12 15 A S H > S+ 0 0 32 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.872 111.0 49.2 -64.9 -38.2 13.5 26.2 2.5 13 16 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.2 -2,-0.2 0.928 109.6 50.7 -66.8 -46.3 14.5 28.3 5.6 14 17 A V H X S+ 0 0 2 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.905 107.5 56.1 -56.3 -40.3 18.2 27.9 4.9 15 18 A E H X S+ 0 0 65 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.916 103.8 52.0 -63.3 -38.3 17.5 29.0 1.3 16 19 A V H X S+ 0 0 7 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.936 113.8 45.1 -61.0 -45.0 15.9 32.3 2.6 17 20 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.908 109.7 54.6 -64.2 -41.5 19.0 32.9 4.6 18 21 A R H X S+ 0 0 83 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.940 111.5 44.4 -56.7 -48.9 21.3 32.0 1.8 19 22 A Q H >< S+ 0 0 56 -4,-2.6 3,-0.6 -5,-0.2 4,-0.5 0.935 115.1 46.9 -63.2 -47.3 19.7 34.5 -0.5 20 23 A E H >< S+ 0 0 35 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.910 106.3 58.9 -64.9 -36.5 19.5 37.4 2.1 21 24 A L H 3< S+ 0 0 11 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.738 95.7 64.2 -66.2 -24.2 23.2 36.8 3.2 22 25 A R T << S+ 0 0 167 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.711 92.6 81.5 -65.7 -25.7 24.4 37.5 -0.4 23 26 A N S < S- 0 0 77 -3,-1.6 -3,-0.0 -4,-0.5 0, 0.0 -0.484 84.8-126.0 -83.2 153.9 23.0 41.0 -0.2 24 27 A D S S+ 0 0 145 1,-0.3 174,-0.2 -2,-0.2 175,-0.1 0.807 110.6 38.4 -60.1 -29.7 24.8 44.1 1.4 25 28 A Q S S- 0 0 75 -5,-0.1 -1,-0.3 173,-0.1 -3,-0.1 -0.684 79.0-165.2-126.6 69.1 21.6 44.6 3.5 26 29 A P - 0 0 0 0, 0.0 2,-1.0 0, 0.0 -5,-0.1 -0.432 39.2-104.1 -52.1 138.6 20.2 41.2 4.6 27 30 A N > - 0 0 57 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.568 39.7-173.0 -76.1 96.5 16.6 41.9 5.8 28 31 A L H > S+ 0 0 0 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.926 80.5 47.4 -60.1 -48.0 17.0 41.7 9.6 29 32 A A H > S+ 0 0 6 99,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.929 113.0 48.5 -57.6 -49.7 13.3 42.0 10.4 30 33 A Q H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 112.8 48.0 -61.8 -44.0 12.3 39.4 7.9 31 34 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.886 111.7 48.9 -66.6 -38.2 14.9 36.9 9.0 32 35 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 77,-0.7 0.863 110.3 51.4 -69.0 -39.7 14.1 37.3 12.7 33 36 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.942 112.6 46.4 -59.6 -48.2 10.3 36.8 12.0 34 37 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.955 115.9 43.8 -62.4 -49.8 11.0 33.6 10.1 35 38 A L H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.884 112.8 52.1 -62.9 -40.6 13.4 32.2 12.6 36 39 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.881 105.8 54.7 -65.2 -38.9 11.2 33.1 15.5 37 40 A F H X S+ 0 0 25 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.931 112.6 43.3 -57.1 -49.1 8.1 31.4 13.9 38 41 A F H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.877 112.8 51.8 -69.0 -36.2 10.0 28.2 13.6 39 42 A E H X S+ 0 0 4 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.954 111.5 46.8 -67.1 -47.2 11.6 28.4 17.0 40 43 A S H < S+ 0 0 26 -4,-2.7 4,-0.5 1,-0.2 3,-0.3 0.946 116.7 43.4 -57.9 -48.4 8.2 29.0 18.6 41 44 A A H >< S+ 0 0 41 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.893 116.1 47.5 -65.6 -39.2 6.5 26.1 16.7 42 45 A S H 3< S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.696 112.4 47.3 -75.0 -22.3 9.4 23.7 17.2 43 46 A T T 3< 0 0 14 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.352 360.0 360.0-108.0 9.0 9.9 24.2 21.0 44 47 A M < 0 0 175 -3,-0.6 -3,-0.0 -4,-0.5 169,-0.0 -0.329 360.0 360.0 -65.2 360.0 6.2 23.9 22.0 45 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 46 55 A T 0 0 157 0, 0.0 2,-0.3 0, 0.0 -37,-0.1 0.000 360.0 360.0 360.0 127.1 4.6 20.2 10.9 47 56 A P + 0 0 43 0, 0.0 2,-0.4 0, 0.0 -9,-0.1 -0.531 360.0 173.1 -70.7 127.2 5.6 23.9 11.2 48 57 A S - 0 0 49 -2,-0.3 2,-0.7 -11,-0.1 -40,-0.2 -0.965 21.5-157.1-140.5 117.2 4.5 25.7 8.1 49 58 A L B -A 7 0A 0 -42,-2.8 -42,-2.3 -2,-0.4 2,-0.1 -0.844 19.0-160.0 -98.6 111.1 4.7 29.5 7.7 50 59 A D > - 0 0 65 -2,-0.7 4,-2.2 -44,-0.2 5,-0.2 -0.394 28.5-109.8 -88.7 169.7 2.2 30.7 5.0 51 60 A E H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 114.4 56.2 -68.4 -38.8 2.3 33.9 3.0 52 61 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 110.9 43.6 -58.7 -47.1 -0.8 35.4 4.8 53 62 A T H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.940 114.5 49.5 -66.8 -47.3 0.8 35.0 8.2 54 63 A F H X S+ 0 0 15 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.929 112.1 48.1 -57.5 -42.2 4.2 36.3 7.1 55 64 A D H X S+ 0 0 74 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.891 108.9 53.7 -68.6 -39.4 2.6 39.4 5.4 56 65 A A H X S+ 0 0 61 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.877 109.8 47.4 -60.0 -40.5 0.5 40.2 8.5 57 66 A L H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.914 113.7 47.4 -68.1 -45.7 3.6 40.2 10.8 58 67 A H H X S+ 0 0 83 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.931 112.5 51.0 -56.7 -50.4 5.6 42.4 8.3 59 68 A C H X S+ 0 0 81 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.929 111.3 47.0 -50.5 -52.2 2.6 44.7 8.0 60 69 A K H X S+ 0 0 78 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.926 112.0 50.2 -63.0 -47.1 2.3 45.0 11.8 61 70 A F H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 3,-0.3 0.956 114.7 44.0 -54.5 -51.6 6.2 45.6 12.2 62 71 A M H X S+ 0 0 60 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.892 109.7 55.8 -62.9 -40.9 6.0 48.4 9.5 63 72 A A H X S+ 0 0 49 -4,-2.8 4,-1.0 -5,-0.3 -1,-0.2 0.836 101.7 57.8 -61.7 -34.8 2.9 49.9 10.9 64 73 A L H < S+ 0 0 19 -4,-1.8 4,-0.5 -3,-0.3 -1,-0.2 0.903 114.8 37.8 -60.8 -40.2 4.5 50.3 14.4 65 74 A L H X S+ 0 0 7 -4,-1.3 4,-1.7 -3,-0.2 3,-0.4 0.857 106.8 63.1 -78.5 -39.4 7.3 52.4 12.7 66 75 A Q H < S+ 0 0 147 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.712 92.0 72.4 -61.3 -22.9 5.1 54.4 10.2 67 76 A R T < S- 0 0 145 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.960 122.3 -3.8 -56.3 -60.9 3.3 55.9 13.2 68 77 A D T 4 S+ 0 0 131 -4,-0.5 2,-0.4 -3,-0.4 -2,-0.2 0.237 118.0 75.4-123.1 10.9 6.0 58.3 14.4 69 78 A F < - 0 0 35 -4,-1.7 2,-0.3 -5,-0.1 13,-0.0 -0.945 55.5-156.5-121.7 151.7 9.1 57.7 12.2 70 79 A T - 0 0 119 -2,-0.4 2,-0.0 63,-0.0 -3,-0.0 -0.891 34.3 -94.3-121.2 154.6 9.9 58.7 8.7 71 80 A F - 0 0 128 -2,-0.3 2,-2.3 1,-0.1 3,-0.2 -0.381 35.0-113.4 -66.0 146.4 12.4 57.0 6.3 72 81 A N > + 0 0 12 61,-3.6 3,-1.6 1,-0.2 -1,-0.1 -0.438 47.3 167.9 -74.2 68.1 16.0 58.4 6.2 73 82 A A T 3 S+ 0 0 93 -2,-2.3 -1,-0.2 1,-0.3 -2,-0.0 0.849 70.6 47.7 -61.9 -36.3 15.6 59.5 2.6 74 83 A G T 3 S- 0 0 71 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.497 108.4-118.8 -81.0 -2.7 18.8 61.6 2.5 75 84 A G < + 0 0 58 -3,-1.6 -2,-0.1 1,-0.1 3,-0.1 0.840 52.7 166.2 66.5 32.2 21.0 58.9 4.1 76 85 A L - 0 0 120 1,-0.1 61,-0.2 77,-0.0 -1,-0.1 -0.351 41.8 -99.4 -68.7 156.0 22.0 61.0 7.1 77 86 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 58,-0.1 -0.473 43.8 -98.6 -70.9 157.6 23.6 59.3 10.1 78 87 A A - 0 0 7 -2,-0.1 2,-0.3 -3,-0.1 75,-0.1 -0.313 36.6-142.7 -68.4 156.7 21.4 58.4 13.0 79 88 A T > - 0 0 65 73,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.776 26.4-108.0-111.4 163.0 21.3 60.7 16.1 80 89 A R H > S+ 0 0 77 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.909 121.4 54.3 -54.0 -44.8 21.1 59.9 19.8 81 90 A E H > S+ 0 0 141 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 109.0 46.8 -56.5 -45.1 17.5 61.2 19.7 82 91 A I H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.947 113.9 47.8 -65.5 -46.5 16.5 58.9 16.9 83 92 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 113.6 46.6 -60.4 -47.5 18.1 55.9 18.5 84 93 A K H X S+ 0 0 84 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.906 110.8 53.8 -61.0 -42.4 16.5 56.6 21.9 85 94 A N H X S+ 0 0 64 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.883 108.9 48.1 -63.0 -37.3 13.2 57.2 20.2 86 95 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.943 111.7 49.6 -70.3 -42.2 13.4 53.8 18.5 87 96 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.917 109.0 53.7 -59.7 -40.5 14.3 52.1 21.8 88 97 A D H X S+ 0 0 43 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.872 106.7 52.5 -62.3 -38.6 11.3 53.9 23.4 89 98 A L H X S+ 0 0 25 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.943 111.4 45.6 -59.3 -52.9 9.0 52.5 20.7 90 99 A V H >X S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.965 115.0 45.9 -55.9 -54.5 10.2 48.9 21.4 91 100 A W H >< S+ 0 0 48 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.889 110.1 55.7 -56.5 -41.9 10.0 49.2 25.1 92 101 A G H 3< S+ 0 0 52 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.736 104.2 54.1 -63.2 -25.5 6.5 50.8 24.9 93 102 A C H << S+ 0 0 27 -4,-1.3 -1,-0.2 -3,-1.1 -2,-0.2 0.570 86.2 106.2 -85.0 -13.6 5.2 47.9 22.8 94 103 A L S << S- 0 0 11 -3,-1.0 22,-0.2 -4,-0.7 21,-0.1 -0.461 77.6-110.7 -73.3 144.8 6.1 45.2 25.4 95 104 A A - 0 0 37 20,-2.9 3,-0.3 19,-0.2 22,-0.1 -0.276 23.5-137.2 -63.9 150.0 3.6 43.5 27.6 96 105 A K S S+ 0 0 169 1,-0.2 -1,-0.1 20,-0.0 -2,-0.1 0.709 87.1 49.6 -88.0 -18.3 3.9 44.6 31.2 97 106 A S S S+ 0 0 117 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.099 78.7 99.7-120.9 30.3 3.5 41.2 33.0 98 107 A Y S S- 0 0 15 -3,-0.3 2,-0.5 4,-0.0 0, 0.0 -0.759 77.3 -98.3-108.7 159.9 5.7 38.5 31.5 99 108 A F > - 0 0 161 -2,-0.3 3,-1.7 1,-0.1 -2,-0.1 -0.635 26.4-147.8 -75.2 123.1 9.0 37.2 32.8 100 109 A K T 3 S+ 0 0 73 -2,-0.5 19,-0.3 1,-0.3 -1,-0.1 0.658 93.4 55.6 -65.8 -23.8 11.8 38.9 30.9 101 110 A D T 3 S+ 0 0 138 17,-0.1 -1,-0.3 18,-0.1 17,-0.1 0.164 75.0 130.2 -98.1 16.9 14.1 35.8 31.0 102 111 A R X - 0 0 116 -3,-1.7 3,-0.5 1,-0.1 2,-0.1 -0.336 61.1-115.1 -56.2 150.8 11.6 33.4 29.5 103 112 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.465 91.5 34.9 -83.5 163.8 13.2 31.4 26.6 104 113 A H T 3 S+ 0 0 31 -2,-0.1 3,-0.1 1,-0.1 6,-0.1 0.690 86.4 101.3 69.9 22.2 12.1 31.7 23.0 105 114 A I < + 0 0 10 -3,-0.5 13,-1.9 1,-0.1 16,-0.1 -0.091 47.4 100.9-125.3 35.7 11.3 35.5 23.2 106 115 A Q S S+ 0 0 11 11,-0.2 2,-0.2 102,-0.1 -1,-0.1 0.352 72.3 64.7 -97.7 0.9 14.5 36.7 21.5 107 116 A N S > S- 0 0 9 9,-0.2 4,-1.5 -3,-0.1 3,-0.4 -0.791 88.4-105.5-132.1 167.1 13.1 37.3 18.1 108 117 A L H > S+ 0 0 0 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.723 111.8 67.2 -70.7 -22.0 10.6 39.6 16.3 109 118 A Y H > S+ 0 0 45 -77,-0.7 4,-2.2 2,-0.2 5,-0.3 0.961 104.9 43.4 -56.4 -50.0 8.0 36.8 15.9 110 119 A S H > S+ 0 0 9 -3,-0.4 4,-2.0 2,-0.2 6,-1.6 0.879 114.0 52.3 -61.0 -42.3 7.5 36.8 19.7 111 120 A F H X S+ 0 0 1 -4,-1.5 4,-1.0 4,-0.3 -1,-0.2 0.925 115.8 39.0 -61.4 -44.1 7.5 40.6 19.7 112 121 A L H < S+ 0 0 4 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.739 122.3 39.0 -83.7 -26.8 4.8 40.9 17.1 113 122 A T H < S+ 0 0 75 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.797 137.3 9.3 -95.1 -34.2 2.6 38.0 18.1 114 123 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360.0-141.1 360.0 44.5 4.5 42.9 350 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 351 367 A N > 0 0 99 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-167.8 47.3 9.7 39.3 352 368 A L G > + 0 0 16 1,-0.3 3,-1.6 2,-0.2 7,-0.3 0.781 360.0 66.7 -63.1 -24.4 46.2 13.4 39.3 353 369 A T G 3 S+ 0 0 19 1,-0.3 44,-2.3 43,-0.1 -1,-0.3 0.634 106.3 42.9 -71.7 -10.5 45.6 13.6 43.1 354 370 A S G < S+ 0 0 71 -3,-2.4 -1,-0.3 42,-0.2 -2,-0.2 0.239 93.7 104.6-107.6 9.0 49.4 13.0 43.6 355 371 A D X> - 0 0 44 -3,-1.6 4,-2.5 -4,-0.2 3,-1.0 -0.815 52.4-164.8-105.0 106.8 50.4 15.5 40.9 356 372 A P H 3> S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.784 92.1 59.6 -54.7 -29.6 51.8 18.9 41.9 357 373 A K H 3> S+ 0 0 129 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.839 109.4 42.2 -68.2 -37.3 51.3 20.2 38.4 358 374 A F H <> S+ 0 0 1 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.918 113.6 50.8 -72.7 -47.9 47.6 19.4 38.6 359 375 A F H X S+ 0 0 2 -4,-2.5 4,-2.4 -7,-0.3 -2,-0.2 0.915 108.1 55.7 -52.8 -41.8 47.3 20.8 42.1 360 376 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.915 105.6 50.6 -58.0 -45.2 49.0 23.9 40.9 361 377 A L H X S+ 0 0 35 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.880 107.6 52.7 -66.0 -40.5 46.4 24.4 38.2 362 378 A V H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.946 111.1 46.7 -57.3 -49.5 43.6 24.1 40.7 363 379 A L H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 109.7 54.7 -59.7 -39.9 45.2 26.8 42.9 364 380 A Q H X S+ 0 0 29 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.800 103.9 55.8 -62.5 -32.5 45.7 29.0 39.8 365 381 A F H X S+ 0 0 0 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.2 0.964 110.9 42.4 -62.3 -51.7 42.0 28.7 39.0 366 382 A Y H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.890 109.2 61.4 -64.4 -33.3 41.1 30.0 42.4 367 383 A D H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.931 104.6 47.3 -54.0 -46.4 43.9 32.6 42.0 368 384 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.910 112.5 48.3 -69.0 -39.8 42.1 34.1 38.9 369 385 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.887 109.8 53.6 -62.8 -40.0 38.7 34.2 40.7 370 386 A C H X S+ 0 0 1 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.905 107.8 50.4 -62.2 -40.0 40.4 35.8 43.7 371 387 A L H >< S+ 0 0 19 -4,-2.2 3,-0.6 2,-0.2 -1,-0.2 0.908 106.8 55.0 -64.4 -43.2 41.8 38.5 41.4 372 388 A W H 3< S+ 0 0 0 -4,-2.0 -53,-2.7 1,-0.2 -1,-0.2 0.887 110.9 45.1 -53.7 -45.3 38.4 39.1 39.9 373 389 A E H >< S+ 0 0 17 -4,-1.9 3,-2.5 -55,-0.2 -1,-0.2 0.656 83.1 128.4 -74.0 -19.0 37.0 39.8 43.4 374 390 A E T << S- 0 0 80 -4,-1.1 -55,-0.1 -3,-0.6 -3,-0.1 -0.140 85.5 -5.5 -53.8 121.2 39.9 42.1 44.5 375 391 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -57,-0.1 -2,-0.1 0.400 95.5 142.8 78.1 -0.4 38.6 45.4 45.9 376 392 A S < - 0 0 21 -3,-2.5 -1,-0.2 1,-0.1 -56,-0.1 -0.451 53.7-138.0 -71.8 145.2 34.9 44.6 45.1 377 393 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -57,-0.1 0.902 95.0 51.4 -65.2 -39.1 32.3 45.7 47.5 378 394 A T S S- 0 0 36 -59,-0.3 -2,-0.1 1,-0.0 2,-0.1 -0.817 90.2-129.3-103.0 133.6 30.5 42.5 47.1 379 395 A P - 0 0 70 0, 0.0 3,-0.1 0, 0.0 58,-0.0 -0.405 14.5-163.6 -79.9 158.4 32.5 39.2 47.4 380 396 A V S S+ 0 0 0 1,-0.2 2,-1.3 -11,-0.1 5,-0.1 0.773 78.7 66.7 -94.3 -52.9 32.6 36.2 45.0 381 397 A L + 0 0 4 55,-0.2 -1,-0.2 -12,-0.1 2,-0.1 -0.589 69.8 176.8 -79.9 95.3 34.1 33.6 47.3 382 398 A H > - 0 0 67 -2,-1.3 4,-2.2 -3,-0.1 3,-0.4 -0.290 49.9 -83.9 -87.2 178.8 31.5 32.9 49.9 383 399 A A H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.857 128.0 55.5 -54.6 -36.3 31.6 30.3 52.8 384 400 A D H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 107.0 47.4 -67.7 -40.8 30.3 27.6 50.4 385 401 A W H > S+ 0 0 1 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.933 112.2 52.1 -61.9 -46.7 33.1 28.1 47.9 386 402 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.903 108.1 50.9 -51.1 -49.0 35.6 28.1 50.8 387 403 A K H X S+ 0 0 102 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.958 112.7 45.8 -55.7 -52.4 34.3 24.7 52.1 388 404 A K H X S+ 0 0 64 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.902 110.4 52.8 -62.8 -43.8 34.6 23.2 48.7 389 405 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.931 111.1 47.0 -58.8 -43.3 38.1 24.6 48.1 390 406 A V H X S+ 0 0 12 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.903 112.7 49.5 -69.3 -37.2 39.4 23.1 51.5 391 407 A Q H X S+ 0 0 85 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.921 112.4 48.8 -61.7 -45.5 37.7 19.7 50.7 392 408 A S H >< S+ 0 0 3 -4,-2.8 3,-1.1 1,-0.2 4,-0.3 0.932 109.5 50.3 -60.0 -46.8 39.3 19.7 47.3 393 409 A I H >< S+ 0 0 10 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.874 106.1 59.0 -59.7 -35.4 42.7 20.6 48.6 394 410 A G H 3< S+ 0 0 49 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.698 93.1 64.8 -68.8 -23.0 42.3 17.7 51.1 395 411 A K T << S+ 0 0 94 -3,-1.1 -1,-0.3 -4,-0.9 2,-0.2 0.541 87.9 87.9 -75.9 -10.2 41.9 15.1 48.4 396 412 A F S < S- 0 0 3 -3,-1.4 -42,-0.2 -4,-0.3 -43,-0.1 -0.589 93.1 -94.1 -86.2 154.7 45.5 15.7 47.2 397 413 A A > - 0 0 16 -44,-2.3 4,-2.0 -2,-0.2 5,-0.2 -0.358 26.2-127.2 -63.7 144.4 48.5 13.8 48.7 398 414 A P H > S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.937 114.0 50.7 -52.8 -44.9 50.2 15.6 51.6 399 415 A E H > S+ 0 0 141 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.785 106.5 56.3 -66.3 -26.2 53.5 15.1 49.7 400 416 A C H > S+ 0 0 3 2,-0.2 4,-1.8 -47,-0.2 -1,-0.2 0.926 109.4 44.4 -67.4 -48.2 51.9 16.6 46.6 401 417 A R H X S+ 0 0 53 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.920 114.1 48.1 -61.8 -47.3 51.0 19.8 48.4 402 418 A S H X S+ 0 0 54 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.848 108.6 55.6 -67.5 -28.7 54.3 20.1 50.1 403 419 A A H >X S+ 0 0 36 -4,-1.5 4,-0.6 -5,-0.2 3,-0.5 0.905 104.0 54.9 -68.3 -39.0 56.0 19.5 46.7 404 420 A F H >< S+ 0 0 5 -4,-1.8 3,-1.0 1,-0.2 6,-0.5 0.905 105.9 51.5 -57.8 -44.2 54.0 22.5 45.3 405 421 A N H 3< S+ 0 0 74 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.761 110.1 50.5 -61.5 -27.3 55.4 24.7 48.1 406 422 A A H << S+ 0 0 88 -4,-1.0 -1,-0.2 -3,-0.5 2,-0.2 0.463 104.0 73.7 -92.8 -4.4 58.9 23.7 47.2 407 423 A N S X< S- 0 0 43 -3,-1.0 3,-1.9 -4,-0.6 4,-0.4 -0.647 92.0-100.4-114.8 170.9 58.6 24.4 43.5 408 424 A T G > S+ 0 0 106 1,-0.3 3,-1.4 -2,-0.2 4,-0.4 0.797 112.7 70.2 -51.5 -39.5 58.5 27.2 41.0 409 425 A D G > S+ 0 0 34 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.740 86.1 72.5 -58.1 -24.2 54.7 27.0 40.7 410 443 A T G X S+ 0 0 15 -3,-1.9 3,-0.8 -6,-0.5 -1,-0.3 0.897 97.0 46.2 -50.9 -45.3 54.5 28.4 44.3 411 444 A L G < S+ 0 0 146 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.533 95.3 80.9 -81.0 -4.0 55.6 31.9 43.2 412 445 A S G < + 0 0 44 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.719 63.6 103.9 -77.8 -26.7 53.1 31.9 40.3 413 446 A L < - 0 0 2 -3,-0.8 -49,-0.1 -4,-0.4 -50,-0.0 -0.379 46.8-176.3 -63.8 134.0 50.0 32.8 42.4 414 447 A R + 0 0 136 -50,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.639 49.2 86.9-109.8 -24.9 49.1 36.4 41.9 415 448 A S S > S- 0 0 0 1,-0.1 4,-2.1 -41,-0.0 5,-0.2 -0.554 72.2-132.6 -83.8 149.8 46.2 37.2 44.2 416 449 A A H > S+ 0 0 62 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.894 107.2 54.8 -65.5 -37.9 46.8 38.3 47.8 417 450 A K H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 111.3 41.3 -63.2 -47.4 44.3 35.8 49.0 418 451 A M H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.846 113.4 53.5 -72.0 -33.2 45.9 32.8 47.4 419 452 A R H X S+ 0 0 122 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.925 111.6 46.0 -65.5 -39.6 49.4 33.9 48.3 420 453 A E H < S+ 0 0 38 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.876 113.1 52.8 -67.2 -35.4 48.2 34.1 51.9 421 454 A M H >< S+ 0 0 5 -4,-2.0 3,-1.6 -5,-0.2 -2,-0.2 0.856 100.1 57.5 -65.1 -40.1 46.5 30.7 51.5 422 455 A K H 3< S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.836 97.7 63.5 -67.9 -28.9 49.5 28.7 50.2 423 456 A N T 3< S+ 0 0 105 -4,-0.9 2,-0.8 1,-0.3 -1,-0.3 0.611 87.0 72.4 -71.5 -15.3 51.4 29.7 53.3 424 457 A L S < S+ 0 0 65 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 -0.500 82.6 103.5 -88.2 58.2 48.8 27.7 55.3 425 458 A I 0 0 25 -2,-0.8 -3,-0.0 -3,-0.1 -4,-0.0 -0.982 360.0 360.0-141.9 128.8 50.4 24.5 53.9 426 459 A T 0 0 170 -2,-0.3 -24,-0.1 -21,-0.0 -21,-0.1 -0.034 360.0 360.0-152.2 360.0 52.7 21.9 55.6 427 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 428 465 A N > 0 0 141 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -83.8 44.1 24.3 59.5 429 466 A T H > + 0 0 67 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.934 360.0 50.9 -64.9 -44.1 40.8 23.9 57.6 430 467 A S H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 111.6 46.0 -61.0 -42.9 39.1 26.4 59.8 431 468 A A H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 113.9 49.6 -66.8 -44.1 41.9 29.0 59.3 432 469 A M H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 109.7 50.8 -57.8 -48.9 41.9 28.4 55.5 433 470 A K H X S+ 0 0 80 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.902 112.3 47.2 -55.8 -45.6 38.1 28.7 55.3 434 471 A L H < S+ 0 0 129 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.875 110.9 51.7 -61.9 -42.9 38.3 32.1 57.2 435 472 A Q H >< S+ 0 0 66 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.832 105.4 55.4 -62.4 -36.1 41.1 33.3 55.0 436 473 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.762 111.9 42.3 -72.6 -28.2 39.2 32.6 51.7 437 474 A T T 3< 0 0 56 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.206 360.0 360.0-105.9 10.3 36.2 34.6 52.7 438 475 A A < 0 0 98 -3,-0.8 -2,-0.2 -4,-0.1 -1,-0.1 0.872 360.0 360.0 -75.9 360.0 38.2 37.6 54.1