==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-NOV-06 2E2O . COMPND 2 MOLECULE: HEXOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR H.NISHIMASU,S.FUSHINOBU,H.SHOUN,T.WAKAGI . 299 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 9.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 0 0 2 1 2 0 2 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 3 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 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 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 0 143 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.7 11.7 19.7 84.6 2 2 A M - 0 0 67 58,-0.1 2,-0.6 59,-0.1 19,-0.3 -0.496 360.0-147.4 -74.2 136.5 13.0 18.6 81.2 3 3 A I - 0 0 39 -2,-0.2 58,-2.1 17,-0.2 59,-2.0 -0.931 14.6-174.1-111.2 116.5 10.4 17.7 78.6 4 4 A I E -Ab 19 62A 0 15,-3.3 15,-2.6 -2,-0.6 2,-0.5 -0.939 5.1-164.2-111.6 125.9 11.4 15.0 76.1 5 5 A V E -Ab 18 63A 0 57,-3.0 59,-3.0 -2,-0.5 2,-0.4 -0.936 6.1-158.6-116.8 131.1 9.1 14.2 73.2 6 6 A G E -Ab 17 64A 0 11,-2.9 11,-2.3 -2,-0.5 2,-0.4 -0.895 17.3-165.2-104.5 134.6 9.3 11.1 71.0 7 7 A V E -Ab 16 65A 0 57,-2.4 59,-2.8 -2,-0.4 2,-0.6 -0.958 24.5-165.1-129.5 139.4 7.6 11.3 67.6 8 8 A D E -Ab 15 66A 39 7,-2.9 7,-2.2 -2,-0.4 2,-1.2 -0.927 15.3-170.8-116.7 99.3 6.5 8.9 64.9 9 9 A A E +Ab 14 67A 0 57,-2.9 59,-2.8 -2,-0.6 5,-0.2 -0.732 25.4 164.8 -93.5 87.3 5.9 11.1 61.8 10 10 A G - 0 0 9 3,-2.0 24,-3.2 -2,-1.2 25,-1.0 -0.256 52.4-100.3 -99.9-174.9 4.3 8.6 59.5 11 11 A G S S+ 0 0 14 22,-0.2 3,-0.1 23,-0.2 -1,-0.1 0.812 120.2 39.7 -74.2 -31.0 2.3 8.5 56.3 12 12 A T S S- 0 0 83 1,-0.3 2,-0.3 20,-0.1 -1,-0.1 0.924 130.2 -31.4 -83.4 -48.2 -1.1 8.1 58.0 13 13 A K - 0 0 91 19,-0.2 -3,-2.0 -5,-0.1 2,-0.5 -0.940 55.8-104.8-159.5 176.0 -0.5 10.5 61.0 14 14 A T E -AC 9 31A 0 17,-2.2 17,-2.1 -2,-0.3 2,-0.4 -0.972 33.0-170.6-116.7 126.6 2.0 12.0 63.4 15 15 A K E -AC 8 30A 36 -7,-2.2 -7,-2.9 -2,-0.5 2,-0.4 -0.971 4.2-177.5-121.2 132.7 2.0 10.6 66.9 16 16 A A E -AC 7 29A 0 13,-2.9 13,-2.3 -2,-0.4 2,-0.4 -0.971 10.1-168.8-132.6 145.5 4.0 12.1 69.8 17 17 A V E -AC 6 28A 10 -11,-2.3 -11,-2.9 -2,-0.4 2,-0.4 -1.000 11.8-152.1-132.7 134.1 4.5 11.2 73.4 18 18 A A E +AC 5 27A 0 9,-3.5 8,-3.2 -2,-0.4 9,-1.4 -0.870 18.6 165.9-111.1 142.0 6.1 13.4 76.1 19 19 A Y E -AC 4 25A 43 -15,-2.6 -15,-3.3 -2,-0.4 6,-0.2 -0.906 31.5-121.2-141.4 163.4 8.0 12.3 79.2 20 20 A D > - 0 0 22 4,-1.8 3,-0.6 -2,-0.3 -17,-0.2 -0.181 43.8 -93.3 -91.2-163.9 10.3 14.1 81.6 21 21 A a T 3 S+ 0 0 22 -19,-0.3 271,-0.4 1,-0.2 274,-0.1 0.434 119.5 66.5 -92.4 0.3 13.9 12.9 82.2 22 22 A E T 3 S- 0 0 78 -20,-0.2 -1,-0.2 2,-0.1 271,-0.0 0.113 120.0 -98.4-106.7 18.5 12.8 10.7 85.1 23 23 A G S < S+ 0 0 9 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.505 77.2 139.7 80.6 6.2 10.7 8.3 83.1 24 24 A N - 0 0 90 1,-0.1 -4,-1.8 2,-0.0 -1,-0.2 -0.695 53.1-121.1 -92.3 134.4 7.4 9.9 83.8 25 25 A F E +C 19 0A 105 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.478 29.3 174.9 -71.3 132.9 4.7 10.3 81.2 26 26 A I E - 0 0 63 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.776 53.6 -64.2-105.0 -44.8 3.5 13.9 80.5 27 27 A G E -C 18 0A 5 -9,-1.4 -9,-3.5 2,-0.0 -1,-0.4 -0.973 37.9-113.6 171.4 175.3 1.1 13.5 77.7 28 28 A E E -C 17 0A 109 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.918 21.4-176.1-132.6 159.4 0.5 12.5 74.1 29 29 A G E -C 16 0A 5 -13,-2.3 -13,-2.9 -2,-0.3 2,-0.3 -0.992 5.9-160.1-154.6 151.9 -0.6 14.3 70.9 30 30 A S E +C 15 0A 45 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.944 14.5 159.2-135.1 156.3 -1.5 13.6 67.3 31 31 A S E -C 14 0A 18 -17,-2.1 -17,-2.2 -2,-0.3 3,-0.1 -0.839 43.8 -54.5-154.8-170.3 -1.7 15.5 64.0 32 32 A G S S- 0 0 23 -2,-0.2 -1,-0.2 -19,-0.2 -19,-0.2 0.042 80.3 -44.2 -69.4-177.6 -1.7 14.9 60.3 33 33 A P - 0 0 28 0, 0.0 14,-0.2 0, 0.0 -22,-0.2 -0.065 36.9-159.2 -49.1 142.3 0.9 13.0 58.1 34 34 A G + 0 0 0 -24,-3.2 2,-0.9 -21,-0.4 -23,-0.2 0.396 64.8 103.6-103.2 -1.9 4.6 13.6 58.7 35 35 A N >> - 0 0 22 -25,-1.0 3,-1.6 1,-0.2 4,-1.3 -0.741 57.5-161.9 -84.7 106.5 5.6 12.3 55.3 36 36 A Y H 3> S+ 0 0 31 -2,-0.9 4,-2.0 32,-0.4 -1,-0.2 0.685 85.2 68.8 -64.6 -17.9 6.4 15.5 53.3 37 37 A H H 34 S+ 0 0 88 31,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.796 108.1 39.0 -69.6 -25.2 6.0 13.6 50.0 38 38 A N H <4 S+ 0 0 54 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.760 135.0 15.6 -95.3 -29.6 2.3 13.4 50.8 39 39 A V H < S- 0 0 51 -4,-1.3 4,-0.5 1,-0.1 -3,-0.2 0.407 108.7-103.6-125.8 0.2 1.5 16.8 52.3 40 40 A G X - 0 0 33 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.107 35.0 -84.9 90.0 152.2 4.5 19.0 51.4 41 41 A L H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.899 124.0 54.2 -60.6 -44.4 7.4 20.1 53.6 42 42 A T H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.950 115.2 38.4 -56.2 -52.4 5.5 23.1 55.1 43 43 A R H > S+ 0 0 123 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.860 112.0 57.5 -68.8 -37.5 2.6 21.0 56.3 44 44 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.936 110.9 43.6 -59.2 -46.1 4.6 18.0 57.4 45 45 A I H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.883 112.0 53.8 -66.2 -38.7 6.7 20.2 59.7 46 46 A E H X S+ 0 0 93 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.910 108.8 49.6 -61.3 -43.2 3.5 21.9 60.9 47 47 A N H X S+ 0 0 8 -4,-2.7 4,-2.4 -14,-0.2 -1,-0.2 0.880 111.3 47.9 -64.5 -40.0 2.0 18.6 61.8 48 48 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.927 112.0 50.1 -67.2 -43.1 5.0 17.4 63.7 49 49 A K H X S+ 0 0 95 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.904 111.4 49.7 -60.3 -41.6 5.1 20.7 65.6 50 50 A E H X S+ 0 0 90 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.941 110.5 47.5 -64.1 -49.5 1.5 20.4 66.5 51 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.912 114.9 47.7 -58.7 -42.3 1.7 16.8 67.7 52 52 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 6,-0.3 0.924 110.8 50.3 -64.1 -46.6 4.8 17.8 69.8 53 53 A K H X>S+ 0 0 145 -4,-2.7 5,-1.8 1,-0.2 4,-1.0 0.897 112.4 47.7 -59.3 -42.8 3.1 20.9 71.2 54 54 A I H <5S+ 0 0 77 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.929 114.0 45.3 -65.3 -47.5 0.0 18.9 72.3 55 55 A A H <5S+ 0 0 0 -4,-2.3 -37,-0.3 1,-0.2 -2,-0.2 0.890 119.4 40.6 -64.6 -41.8 2.0 16.1 73.9 56 56 A A H <5S- 0 0 5 -4,-2.6 -1,-0.2 2,-0.3 -2,-0.2 0.588 102.5-131.1 -83.0 -11.5 4.3 18.5 75.8 57 57 A K T <5S- 0 0 155 -4,-1.0 2,-0.3 -5,-0.2 -3,-0.2 0.870 82.0 -11.6 61.3 36.1 1.5 20.9 76.6 58 58 A G S -bd 9 94A 1 26,-2.4 28,-1.8 -2,-0.5 3,-0.8 -0.945 15.3-144.9-124.8 130.7 10.2 10.0 59.9 68 68 A A T 3 S+ 0 0 10 -59,-2.8 -32,-0.4 -2,-0.4 -31,-0.2 -0.644 85.2 37.0 -83.4 140.5 8.5 8.4 56.9 69 69 A G T 3 + 0 0 3 -2,-0.3 2,-2.0 1,-0.2 -1,-0.2 0.354 68.0 124.2 103.7 -9.4 9.7 9.8 53.5 70 70 A L < + 0 0 1 -3,-0.8 -1,-0.2 1,-0.2 -3,-0.1 -0.629 31.5 140.1 -85.1 81.3 13.4 10.3 54.2 71 71 A D + 0 0 29 -2,-2.0 2,-0.3 -3,-0.1 -1,-0.2 0.358 56.7 27.2-108.9 1.7 14.2 8.1 51.2 72 72 A S S > S- 0 0 48 -3,-0.2 4,-1.8 1,-0.1 3,-0.1 -0.965 83.5-102.9-155.6 164.8 17.1 9.9 49.6 73 73 A K H > S+ 0 0 169 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.891 122.6 57.6 -59.2 -38.2 19.9 12.2 50.5 74 74 A F H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.899 103.4 52.1 -58.3 -43.6 17.8 15.0 48.9 75 75 A D H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.930 110.7 48.1 -60.1 -46.6 15.0 14.3 51.3 76 76 A W H X S+ 0 0 72 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.899 107.0 53.8 -62.3 -45.0 17.2 14.5 54.3 77 77 A E H < S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.744 114.0 41.7 -66.1 -23.4 18.9 17.8 53.5 78 78 A N H X S+ 0 0 78 -4,-1.2 4,-0.5 -3,-0.4 -1,-0.2 0.733 118.9 44.2 -94.0 -25.0 15.6 19.6 53.0 79 79 A F H X S+ 0 0 1 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.898 103.1 62.2 -84.9 -45.7 13.9 18.1 56.0 80 80 A T H X S+ 0 0 53 -4,-2.6 4,-1.6 1,-0.2 -3,-0.1 0.875 99.2 52.7 -48.9 -52.8 16.7 18.3 58.7 81 81 A P H 4 S+ 0 0 74 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.921 114.7 41.2 -53.5 -49.5 17.1 22.1 58.8 82 82 A L H >< S+ 0 0 61 -4,-0.5 3,-1.8 1,-0.2 4,-0.2 0.925 111.8 54.6 -66.3 -46.1 13.4 22.8 59.4 83 83 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 4,-0.3 0.772 100.1 63.1 -60.2 -25.9 12.9 20.0 61.8 84 84 A S T 3< S+ 0 0 55 -4,-1.6 3,-0.4 1,-0.2 -1,-0.3 0.623 91.0 65.7 -75.5 -12.1 15.8 21.4 63.9 85 85 A L T < S+ 0 0 130 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.518 82.9 79.6 -85.7 -5.3 13.8 24.6 64.6 86 86 A I S < S- 0 0 16 -3,-1.1 -26,-0.4 -4,-0.2 -1,-0.2 0.830 107.1 -4.2 -72.2 -33.8 11.2 22.6 66.6 87 87 A A S S- 0 0 10 -3,-0.4 -1,-0.2 -4,-0.3 -26,-0.1 -0.981 74.4 -98.7-155.7 162.7 13.2 22.4 69.8 88 88 A P S S+ 0 0 117 0, 0.0 2,-0.4 0, 0.0 -26,-0.2 0.876 116.4 28.7 -51.4 -40.6 16.7 23.2 71.3 89 89 A K E S+d 62 0A 80 -28,-1.3 -26,-2.3 -29,-0.1 2,-0.4 -0.990 74.9 176.7-127.3 123.6 17.7 19.6 70.7 90 90 A V E -d 63 0A 24 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.994 12.4-164.7-132.0 131.9 16.3 17.5 67.9 91 91 A I E -d 64 0A 15 -28,-2.9 -26,-2.3 -2,-0.4 2,-0.4 -0.962 12.7-168.1-115.0 128.9 17.2 14.0 66.9 92 92 A I E +d 65 0A 18 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.969 14.4 155.8-125.2 132.0 16.0 12.8 63.5 93 93 A Q E -d 66 0A 68 -28,-2.4 -26,-2.4 -2,-0.4 -23,-0.1 -0.947 49.0 -86.9-144.0 163.2 16.0 9.3 62.0 94 94 A H E > -d 67 0A 7 -2,-0.3 4,-1.8 -28,-0.2 3,-0.4 -0.403 44.3-117.1 -66.2 148.9 14.1 7.3 59.3 95 95 A D H > S+ 0 0 15 -28,-1.8 4,-2.6 1,-0.2 5,-0.2 0.848 113.3 56.1 -61.7 -32.3 10.9 5.8 60.8 96 96 A G H > S+ 0 0 0 -29,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.878 105.6 52.2 -65.5 -37.3 12.1 2.2 60.1 97 97 A V H > S+ 0 0 14 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.939 113.2 43.2 -63.1 -48.0 15.2 2.9 62.2 98 98 A I H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.897 111.4 53.7 -66.7 -41.7 13.3 4.2 65.1 99 99 A A H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.910 114.2 42.8 -60.3 -41.5 10.6 1.5 65.0 100 100 A L H >X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 3,-0.8 0.923 112.8 51.5 -70.7 -45.4 13.4 -1.2 65.1 101 101 A F H 3X S+ 0 0 23 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 99.8 65.5 -58.8 -39.1 15.4 0.5 67.8 102 102 A A H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.852 115.3 28.9 -51.1 -37.7 12.3 0.8 69.9 103 103 A E H << S+ 0 0 6 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.921 127.8 34.5 -92.3 -53.1 12.3 -3.0 70.2 104 104 A T H >< S- 0 0 21 -4,-2.5 3,-1.6 3,-0.1 -3,-0.2 0.634 84.5-151.7 -82.7 -12.2 15.8 -4.3 69.9 105 105 A L T 3< S- 0 0 75 -4,-2.2 -4,-0.1 -5,-0.4 -3,-0.1 0.834 77.2 -27.1 45.8 47.7 17.4 -1.4 71.7 106 106 A G T 3 S+ 0 0 40 1,-0.4 -1,-0.3 -6,-0.1 -5,-0.1 0.264 115.6 109.0 104.0 -12.3 20.8 -1.6 69.9 107 107 A E S < S- 0 0 126 -3,-1.6 -1,-0.4 -6,-0.1 -3,-0.1 -0.556 78.3 -84.0 -96.8 162.2 20.8 -5.3 69.1 108 108 A P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 16,-0.2 -0.263 69.0 118.4 -61.7 149.8 20.4 -7.0 65.7 109 109 A G E -E 123 0B 1 14,-1.4 14,-1.9 131,-0.1 2,-0.4 -0.971 50.6-109.6 171.1 178.7 16.8 -7.6 64.4 110 110 A V E -E 122 0B 0 132,-0.4 134,-2.7 -2,-0.3 2,-0.3 -1.000 22.8-174.2-138.7 137.9 14.2 -6.8 61.8 111 111 A V E -Ef 121 244B 0 10,-2.8 10,-2.4 -2,-0.4 2,-0.4 -0.940 11.2-150.4-130.3 152.2 11.0 -4.8 61.9 112 112 A V E -Ef 120 245B 0 132,-2.4 134,-2.7 -2,-0.3 2,-0.5 -0.978 4.1-162.6-122.1 134.6 8.2 -4.3 59.4 113 113 A I E +Ef 119 246B 21 6,-2.7 6,-2.0 -2,-0.4 2,-0.5 -0.986 10.9 177.3-116.4 122.8 6.1 -1.1 59.2 114 114 A A E +E 118 0B 0 132,-2.4 135,-2.8 -2,-0.5 136,-0.5 -0.883 33.4 109.3-128.9 98.5 2.9 -1.5 57.4 115 115 A G S S- 0 0 10 2,-3.1 29,-3.4 -2,-0.5 30,-0.3 -0.134 93.2 -29.5-134.0-128.5 0.8 1.7 57.3 116 116 A T S S+ 0 0 13 27,-0.2 29,-1.5 28,-0.2 30,-0.3 0.892 142.0 12.3 -65.1 -35.5 0.0 4.2 54.5 117 117 A G S S- 0 0 22 26,-0.1 -2,-3.1 27,-0.1 2,-0.3 -0.623 86.6-136.4-123.5-177.1 3.4 3.1 53.1 118 118 A S E +E 114 0B 7 -4,-0.2 15,-0.6 -2,-0.2 22,-0.4 -0.971 20.1 171.1-145.6 161.6 5.6 0.1 54.2 119 119 A V E -EG 113 132B 4 -6,-2.0 -6,-2.7 -2,-0.3 2,-0.5 -0.975 24.2-141.4-165.1 153.7 9.2 -0.8 54.9 120 120 A V E -EG 112 131B 0 11,-2.0 11,-2.4 -2,-0.3 2,-0.4 -0.995 26.9-175.5-121.9 121.7 11.3 -3.6 56.2 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92.6 -3.9 11.9 46.7 195 195 A I H 3> S+ 0 0 16 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.838 82.4 57.8 -48.1 -41.6 -2.3 9.0 48.5 196 196 A D H 3> S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.872 103.5 51.8 -61.4 -38.0 -4.5 9.4 51.5 197 197 A L H <4 S+ 0 0 47 -3,-1.0 4,-0.4 2,-0.2 -1,-0.2 0.887 113.7 43.2 -67.5 -38.7 -7.7 9.0 49.6 198 198 A V H >< S+ 0 0 6 -4,-1.5 3,-1.4 -7,-0.3 4,-0.3 0.935 114.1 50.9 -71.5 -44.6 -6.5 5.8 48.0 199 199 A A H >< S+ 0 0 9 -4,-2.9 3,-1.9 1,-0.3 4,-0.3 0.818 97.5 68.2 -62.0 -30.6 -5.1 4.5 51.2 200 200 A S T >< S+ 0 0 51 -4,-1.9 3,-1.2 1,-0.3 4,-0.4 0.752 86.6 70.0 -61.5 -23.0 -8.4 5.2 53.0 201 201 A I T X> S+ 0 0 0 -3,-1.4 4,-1.6 -4,-0.4 3,-0.7 0.696 76.8 79.9 -69.4 -17.7 -10.0 2.4 51.0 202 202 A A H <> S+ 0 0 9 -3,-1.9 4,-2.2 -4,-0.3 -1,-0.2 0.829 85.8 60.6 -59.4 -29.7 -8.0 -0.2 52.9 203 203 A K H <> S+ 0 0 150 -3,-1.2 4,-2.4 -4,-0.3 -1,-0.3 0.888 102.2 51.2 -63.7 -38.7 -10.6 0.1 55.7 204 204 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 -1,-0.2 0.870 108.6 51.5 -65.6 -38.4 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-59.3 -28.2 -12.8 -14.0 49.7 215 215 A V H > S+ 0 0 13 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.935 109.2 41.8 -66.6 -43.9 -12.1 -11.3 47.2 216 216 A A H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.900 114.2 53.0 -67.8 -40.1 -11.2 -8.8 49.9 217 217 A M H X S+ 0 0 54 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.901 104.2 56.3 -61.7 -40.7 -9.3 -11.5 51.8 218 218 A D H X S+ 0 0 95 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.868 105.8 51.2 -59.3 -38.7 -7.3 -12.3 48.6 219 219 A I H X S+ 0 0 12 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.934 112.3 45.2 -65.0 -46.0 -6.1 -8.6 48.4 220 220 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.895 113.7 50.9 -64.6 -39.7 -5.0 -8.7 52.1 221 221 A K H X S+ 0 0 87 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.943 110.6 47.3 -64.2 -48.3 -3.3 -12.0 51.6 222 222 A Q H X S+ 0 0 92 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 115.6 45.6 -60.2 -44.4 -1.4 -10.9 48.5 223 223 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 0.920 113.2 48.5 -65.3 -45.0 -0.2 -7.7 50.1 224 224 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.919 113.9 46.8 -62.3 -43.7 0.8 -9.3 53.4 225 225 A E H X S+ 0 0 63 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.850 108.3 54.9 -70.0 -33.8 2.8 -12.0 51.7 226 226 A L H X S+ 0 0 60 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.924 117.4 36.9 -63.3 -42.8 4.5 -9.7 49.3 227 227 A L H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 3,-0.5 0.896 114.8 54.8 -75.7 -40.2 5.8 -7.6 52.3 228 228 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.853 101.6 59.2 -62.0 -34.6 6.3 -10.7 54.5 229 229 A S H X S+ 0 0 41 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.876 105.4 49.4 -62.6 -35.3 8.6 -12.2 51.8 230 230 A Q H X S+ 0 0 37 -4,-0.8 4,-2.1 -3,-0.5 -1,-0.2 0.865 109.6 51.3 -70.5 -36.0 10.8 -9.2 52.1 231 231 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.895 109.2 50.3 -67.2 -40.3 10.9 -9.5 55.9 232 232 A V H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.910 109.2 52.7 -63.8 -42.4 11.9 -13.2 55.6 233 233 A Y H X S+ 0 0 137 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.940 114.1 41.2 -58.0 -49.3 14.6 -12.2 53.2 234 234 A L H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.878 111.9 54.8 -70.2 -37.3 16.1 -9.7 55.6 235 235 A A H X>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-2.0 0.920 111.5 45.3 -61.6 -43.3 15.6 -11.8 58.7 236 236 A R H <5S+ 0 0 143 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.885 112.4 51.5 -67.2 -38.5 17.6 -14.6 57.1 237 237 A K H <5S+ 0 0 115 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.923 115.9 40.0 -63.9 -44.9 20.3 -12.2 55.9 238 238 A I H <5S- 0 0 27 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.777 112.5-120.1 -76.0 -27.7 20.7 -10.7 59.4 239 239 A G T <5 + 0 0 67 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.729 63.6 136.6 94.6 24.5 20.4 -14.0 61.1 240 240 A T < - 0 0 24 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.805 46.4-153.1-105.7 147.7 17.4 -13.4 63.3 241 241 A N S S+ 0 0 98 -2,-0.3 28,-2.9 27,-0.1 2,-0.3 0.300 76.1 58.4 -99.5 8.1 14.5 -15.9 63.8 242 242 A K E - h 0 269B 53 26,-0.2 -132,-0.4 -7,-0.1 2,-0.4 -0.972 58.6-160.5-139.1 154.7 11.9 -13.2 64.6 243 243 A V E - h 0 270B 0 26,-2.5 28,-1.6 -2,-0.3 2,-0.3 -0.999 17.7-135.1-133.6 133.6 10.4 -10.1 63.0 244 244 A Y E -fh 111 271B 29 -134,-2.7 -132,-2.4 -2,-0.4 2,-0.5 -0.689 16.9-147.4 -89.9 143.3 8.6 -7.3 64.8 245 245 A L E +f 112 0B 1 26,-2.2 2,-0.3 -2,-0.3 -132,-0.2 -0.946 23.9 163.9-117.3 122.2 5.3 -6.0 63.2 246 246 A K E +f 113 0B 21 -134,-2.7 -132,-2.4 -2,-0.5 3,-0.2 -0.948 25.6 65.6-133.8 153.0 4.3 -2.3 63.5 247 247 A G S > S- 0 0 24 -2,-0.3 3,-1.5 -134,-0.2 -132,-0.2 -0.262 81.7 -76.6 119.2 155.6 1.7 -0.1 61.7 248 248 A G G > S+ 0 0 49 1,-0.3 3,-1.6 2,-0.2 -133,-0.2 0.720 116.8 68.1 -59.4 -26.7 -2.0 0.4 61.1 249 249 A M G > S+ 0 0 14 -135,-2.8 3,-1.6 1,-0.3 7,-0.3 0.803 91.0 62.8 -66.5 -25.7 -2.3 -2.5 58.6 250 250 A F G < S+ 0 0 3 -3,-1.5 -1,-0.3 -136,-0.5 -2,-0.2 0.526 85.6 73.5 -77.6 -1.3 -1.6 -4.9 61.5 251 251 A R G < S+ 0 0 146 -3,-1.6 2,-0.8 -4,-0.2 -1,-0.3 0.541 77.4 90.0 -82.9 -9.2 -4.9 -3.7 63.1 252 252 A S S <> S- 0 0 8 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 -0.812 72.8-156.4 -86.0 111.0 -6.5 -5.7 60.3 253 253 A N H > S+ 0 0 112 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.889 90.8 46.9 -58.5 -40.1 -6.9 -9.1 61.9 254 254 A I H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 111.9 49.8 -69.7 -41.7 -7.0 -10.9 58.7 255 255 A Y H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.946 112.5 48.4 -60.5 -46.8 -4.0 -9.1 57.2 256 256 A H H X S+ 0 0 41 -4,-2.7 4,-2.8 -7,-0.3 5,-0.2 0.913 110.7 51.5 -58.9 -44.2 -2.0 -9.8 60.4 257 257 A K H X S+ 0 0 117 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.919 110.7 46.7 -61.2 -46.2 -3.0 -13.5 60.3 258 258 A F H X S+ 0 0 34 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.890 113.3 50.9 -63.7 -37.5 -1.9 -13.9 56.7 259 259 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.939 113.4 43.2 -65.3 -48.0 1.4 -12.1 57.5 260 260 A T H X S+ 0 0 11 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.876 111.1 55.0 -67.3 -37.6 2.1 -14.3 60.5 261 261 A L H X S+ 0 0 73 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.903 109.9 47.4 -62.0 -40.8 1.1 -17.5 58.7 262 262 A Y H X S+ 0 0 43 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.942 113.1 47.3 -66.1 -47.7 3.6 -16.7 56.0 263 263 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 3,-0.6 0.933 112.6 50.2 -58.2 -47.2 6.4 -15.9 58.4 264 264 A E H ><5S+ 0 0 107 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.864 105.9 53.9 -61.4 -39.0 5.7 -19.1 60.4 265 265 A K H 3<5S+ 0 0 127 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.761 109.7 50.9 -68.5 -20.9 5.8 -21.3 57.4 266 266 A E T <<5S- 0 0 54 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.209 125.5-103.3 -99.0 13.8 9.2 -19.8 56.6 267 267 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.683 79.5 129.6 75.3 20.5 10.4 -20.5 60.1 268 268 A I < - 0 0 11 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.892 50.8-138.3-112.8 137.9 10.1 -17.0 61.4 269 269 A I E -h 242 0B 93 -28,-2.9 -26,-2.5 -2,-0.4 2,-0.3 -0.746 16.9-146.6 -92.1 136.8 8.4 -15.8 64.6 270 270 A S E -h 243 0B 26 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.769 15.7-177.7-103.2 151.0 6.3 -12.7 64.6 271 271 A D E -h 244 0B 58 -28,-1.6 -26,-2.2 -2,-0.3 3,-0.0 -0.937 24.6-159.8-151.1 122.0 5.9 -10.3 67.5 272 272 A L - 0 0 68 -2,-0.3 -1,-0.1 -28,-0.2 -28,-0.1 0.780 48.2-150.8 -70.3 -26.1 3.7 -7.1 67.6 273 273 A G - 0 0 25 1,-0.1 -1,-0.1 -3,-0.1 -170,-0.0 0.141 19.4-104.0 78.4 166.7 6.0 -6.0 70.5 274 274 A K S S+ 0 0 169 1,-0.1 2,-0.5 -172,-0.1 -1,-0.1 0.515 92.5 75.2-105.4 -11.4 5.5 -3.9 73.6 275 275 A R - 0 0 63 -176,-0.1 -1,-0.1 -3,-0.1 -172,-0.1 -0.917 66.7-145.7-117.4 122.5 7.3 -0.7 72.4 276 276 A S > - 0 0 38 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.252 28.7-112.0 -73.8 161.8 5.9 1.8 69.9 277 277 A P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.920 117.1 55.8 -61.9 -39.9 8.1 3.8 67.5 278 278 A E H > S+ 0 0 22 1,-0.3 4,-1.3 2,-0.2 -261,-0.2 0.861 107.5 46.6 -62.5 -36.3 7.4 7.0 69.4 279 279 A I H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.812 107.0 60.0 -75.3 -24.7 8.6 5.6 72.7 280 280 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.890 104.2 49.9 -64.5 -36.6 11.6 4.3 70.7 281 281 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.830 107.9 52.7 -69.5 -33.4 12.3 7.9 69.8 282 282 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.931 109.5 49.7 -66.3 -44.6 12.0 8.9 73.5 283 283 A I H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.909 110.0 49.6 -60.9 -42.8 14.5 6.2 74.4 284 284 A L H X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.901 111.4 49.9 -63.8 -39.0 16.9 7.4 71.7 285 285 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.895 106.8 55.2 -65.3 -40.8 16.5 11.0 73.0 286 286 A Y H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-1.5 0.937 109.3 47.4 -56.3 -47.2 17.2 9.7 76.6 287 287 A K H <5S+ 0 0 126 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.885 110.6 52.9 -60.8 -41.4 20.5 8.2 75.3 288 288 A E H <5S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 120.6 29.8 -62.2 -45.7 21.4 11.5 73.5 289 289 A V H <5S- 0 0 53 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.454 114.8-105.1 -97.8 -2.7 20.9 13.7 76.5 290 290 A G T <5 + 0 0 66 -4,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.794 62.9 149.8 88.3 28.4 21.8 11.3 79.3 291 291 A a < - 0 0 6 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.767 54.7-105.5 -95.1 141.8 18.5 10.3 80.9 292 292 A D > - 0 0 59 -271,-0.4 3,-1.8 -2,-0.4 4,-0.2 -0.545 24.3-159.5 -71.8 108.2 18.2 6.9 82.4 293 293 A I G > S+ 0 0 53 -2,-0.7 3,-2.1 1,-0.3 4,-0.2 0.820 86.8 67.1 -56.1 -34.9 16.1 4.7 80.2 294 294 A K G > S+ 0 0 151 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.731 84.7 72.9 -62.8 -18.3 15.3 2.2 82.9 295 295 A K G < S+ 0 0 86 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.660 83.0 70.1 -69.5 -14.0 13.3 4.9 84.7 296 296 A L G < S+ 0 0 33 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.638 73.3 112.9 -76.3 -14.2 10.6 4.4 82.0 297 297 A I < + 0 0 143 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.355 43.6 163.6 -60.9 135.2 9.8 1.0 83.5 298 298 A S 0 0 108 -2,-0.1 -2,-0.0 0, 0.0 -275,-0.0 -0.995 360.0 360.0-154.7 153.0 6.3 0.9 85.1 299 299 A D 0 0 218 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.792 360.0 360.0-151.7 360.0 3.7 -1.5 86.3