==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, OXIDOREDUCTASE 16-OCT-08 3EX8 . COMPND 2 MOLECULE: RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.C.CHEN,Y.H.LIN,H.C.YU,S.H.LIAW . 1437 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 9.0 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 107 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 3 0 3 12 5 10 8 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 21 5 2 2 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 . 8 0 0 4 5 3 2 2 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 4 0 0 0 4 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 0 131 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -30.7 71.8 11.5 67.2 2 2 A E H > + 0 0 74 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.926 360.0 49.8 -70.2 -44.7 68.4 10.2 66.4 3 3 A E H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.784 101.4 62.8 -63.1 -29.5 67.5 13.9 65.9 4 4 A Y H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.957 108.6 40.9 -60.7 -48.2 70.6 14.3 63.7 5 5 A Y H X S+ 0 0 23 -4,-1.3 4,-3.0 -3,-0.3 -2,-0.2 0.932 113.3 51.7 -64.9 -49.7 69.1 11.8 61.2 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.894 111.3 50.2 -55.7 -38.9 65.5 13.2 61.4 7 7 A K H X S+ 0 0 76 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.885 108.3 50.7 -67.6 -37.2 67.0 16.6 60.8 8 8 A L H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.928 111.6 50.8 -62.8 -40.7 68.9 15.3 57.8 9 9 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.922 109.0 48.6 -60.9 -47.5 65.5 13.8 56.7 10 10 A L H X S+ 0 0 7 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.848 112.3 50.3 -63.0 -33.9 63.8 17.2 57.2 11 11 A D H X S+ 0 0 76 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.808 107.2 52.4 -75.5 -29.2 66.5 18.8 55.1 12 12 A L H >< S+ 0 0 4 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.855 105.6 56.8 -72.7 -31.0 66.2 16.3 52.4 13 13 A A H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 13,-0.2 0.922 97.5 61.6 -62.7 -45.3 62.5 17.0 52.3 14 14 A K H >< S+ 0 0 110 -4,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.710 89.7 70.7 -55.9 -22.9 63.2 20.7 51.6 15 15 A Q T << S+ 0 0 23 -3,-0.8 381,-0.4 -4,-0.5 -1,-0.3 0.689 95.7 52.8 -70.8 -16.4 65.0 19.9 48.3 16 16 A G T X S+ 0 0 0 -3,-2.1 3,-1.0 -4,-0.3 4,-0.4 0.294 76.5 139.7-101.4 11.4 61.7 18.9 46.7 17 17 A E T < S+ 0 0 88 -3,-1.3 -3,-0.0 1,-0.2 168,-0.0 -0.272 73.9 10.1 -58.0 134.9 59.8 22.2 47.6 18 18 A G T 3 S+ 0 0 62 3,-0.1 -1,-0.2 1,-0.1 194,-0.1 0.865 112.8 81.9 64.0 39.0 57.6 23.4 44.7 19 19 A Q S < S+ 0 0 28 -3,-1.0 26,-1.8 23,-0.1 -2,-0.2 0.277 77.4 64.6-146.9 -4.7 58.0 20.2 42.7 20 20 A T S > S- 0 0 5 -4,-0.4 3,-2.4 1,-0.3 2,-0.5 0.398 77.3-162.2-105.9 0.1 55.4 18.0 44.4 21 21 A E T 3 S- 0 0 89 1,-0.3 -1,-0.3 24,-0.1 -3,-0.1 -0.363 77.2 -0.8 57.2-105.8 52.3 20.1 43.4 22 22 A S T 3 S+ 0 0 41 -2,-0.5 -1,-0.3 -3,-0.1 -2,-0.0 0.612 116.4 87.2 -91.0 -15.5 49.7 18.8 45.9 23 23 A N S < S- 0 0 42 -3,-2.4 -3,-0.2 1,-0.1 2,-0.1 -0.305 78.8-105.3 -81.5 168.7 51.7 16.2 47.8 24 24 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.402 30.6-100.3 -90.8 170.4 53.9 16.9 50.8 25 25 A L - 0 0 11 -2,-0.1 2,-0.4 16,-0.1 -12,-0.1 -0.787 43.9-176.3 -89.5 125.0 57.6 17.1 51.2 26 26 A V - 0 0 13 -2,-0.5 16,-1.4 -13,-0.2 2,-0.3 -0.987 11.2-165.6-129.2 134.8 59.0 13.9 52.7 27 27 A G E -A 41 0A 0 -2,-0.4 43,-1.7 14,-0.2 2,-0.3 -0.892 7.4-174.5-115.2 149.5 62.6 13.1 53.7 28 28 A A E -AB 40 69A 0 12,-2.5 12,-1.6 -2,-0.3 2,-0.4 -0.971 7.1-175.6-147.6 128.8 64.0 9.6 54.4 29 29 A V E -AB 39 68A 0 39,-2.3 39,-2.4 -2,-0.3 2,-0.7 -0.985 13.6-151.4-129.9 127.0 67.3 8.3 55.6 30 30 A V E -AB 38 67A 0 8,-2.3 7,-3.1 -2,-0.4 8,-1.1 -0.860 17.3-173.6 -98.1 114.4 68.3 4.6 56.0 31 31 A V E +AB 36 66A 6 35,-2.9 35,-4.2 -2,-0.7 5,-0.2 -0.898 10.4 167.0-110.2 135.4 70.8 4.0 58.7 32 32 A K S S- 0 0 61 3,-2.2 2,-1.5 -2,-0.4 -1,-0.1 0.477 70.6 -3.3-109.8-106.8 72.5 0.7 59.4 33 33 A D S S- 0 0 102 1,-0.2 3,-0.1 2,-0.0 32,-0.0 -0.442 128.3 -56.0 -90.3 64.1 75.5 0.1 61.6 34 34 A G S S+ 0 0 27 -2,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.574 115.5 116.2 77.5 8.1 76.0 3.8 62.4 35 35 A Q - 0 0 34 344,-0.0 -3,-2.2 369,-0.0 2,-0.7 -0.929 68.7-129.8-119.5 135.4 76.2 4.5 58.6 36 36 A I E +A 31 0A 4 -2,-0.4 -5,-0.2 339,-0.4 3,-0.1 -0.672 36.8 164.2 -76.2 114.4 74.0 6.5 56.4 37 37 A V E + 0 0 6 -7,-3.1 2,-0.3 -2,-0.7 -1,-0.2 0.538 58.4 25.9-112.1 -10.3 73.3 4.1 53.6 38 38 A G E -A 30 0A 0 -8,-1.1 -8,-2.3 19,-0.1 2,-0.3 -0.978 55.1-178.2-156.5 141.4 70.3 5.7 51.9 39 39 A M E +A 29 0A 10 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.986 14.7 159.8-137.9 146.9 68.8 9.2 51.5 40 40 A G E -A 28 0A 0 -12,-1.6 -12,-2.5 -2,-0.3 2,-0.3 -0.995 16.1-177.7-163.9 161.7 65.7 10.3 49.7 41 41 A A E -A 27 0A 0 -2,-0.3 2,-0.8 -14,-0.2 -14,-0.2 -0.967 42.9 -97.3-157.5 155.5 63.0 13.0 49.3 42 42 A H + 0 0 8 -16,-1.4 -16,-0.2 -2,-0.3 7,-0.1 -0.742 49.2 163.1 -82.5 114.3 59.9 13.3 47.3 43 43 A L + 0 0 3 -2,-0.8 2,-0.4 5,-0.5 -1,-0.2 0.676 52.4 42.8-106.6 -25.3 61.0 15.4 44.3 44 44 A K S > S- 0 0 34 4,-0.5 3,-2.6 -24,-0.1 -24,-0.2 -0.988 82.2-108.2-133.8 135.2 58.4 15.0 41.6 45 45 A Y T 3 S+ 0 0 116 -26,-1.8 3,-0.1 -2,-0.4 -24,-0.1 -0.243 107.4 5.7 -54.2 137.0 54.6 15.0 41.6 46 46 A G T 3 S+ 0 0 68 -26,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.574 114.0 110.5 64.1 6.2 53.3 11.5 41.0 47 47 A E S < S- 0 0 78 -3,-2.6 -1,-0.2 1,-0.2 -3,-0.0 -0.628 78.3 -43.9-110.1 172.4 56.8 10.3 41.1 48 48 A A - 0 0 34 -2,-0.2 -5,-0.5 -3,-0.1 -4,-0.5 0.194 58.6-125.8 -31.2 142.5 58.7 8.1 43.6 49 49 A H > - 0 0 73 -7,-0.1 4,-1.9 -3,-0.1 3,-0.2 -0.425 29.2 -98.2 -88.4 167.7 58.3 8.9 47.3 50 50 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.939 123.9 49.2 -51.9 -54.3 61.1 9.5 49.7 51 51 A E H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.847 106.1 58.4 -57.0 -35.4 61.2 6.0 51.1 52 52 A V H > S+ 0 0 53 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 112.0 40.0 -60.5 -46.5 61.3 4.6 47.5 53 53 A H H X S+ 0 0 31 -4,-1.9 4,-2.2 -3,-0.3 -14,-0.2 0.936 116.6 48.7 -68.1 -47.3 64.4 6.6 46.8 54 54 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.925 112.7 46.6 -61.1 -47.0 66.1 5.9 50.2 55 55 A I H X S+ 0 0 16 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.929 110.7 52.4 -63.4 -45.2 65.5 2.2 50.2 56 56 A H H >< S+ 0 0 113 -4,-1.7 3,-0.6 -5,-0.4 -1,-0.2 0.940 113.0 44.7 -56.4 -45.4 66.7 1.7 46.6 57 57 A M H 3< S+ 0 0 21 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.939 107.3 59.9 -62.4 -45.8 69.9 3.5 47.5 58 58 A A H >< S+ 0 0 0 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 0.752 82.9 170.9 -54.2 -28.5 70.2 1.5 50.7 59 59 A G G X< - 0 0 38 -4,-1.5 3,-2.5 -3,-0.6 4,-0.2 -0.119 65.6 -9.5 50.8-146.2 70.3 -1.6 48.7 60 60 A A G > S+ 0 0 86 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.792 126.3 75.0 -51.6 -32.9 71.2 -4.8 50.6 61 61 A H G < S+ 0 0 41 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.632 72.6 84.2 -57.4 -15.1 72.1 -2.6 53.6 62 62 A A G X + 0 0 4 -3,-2.5 3,-1.8 -4,-0.2 -1,-0.3 0.843 66.5 105.6 -57.3 -33.9 68.4 -2.1 54.1 63 63 A E T < S- 0 0 123 -3,-2.0 29,-0.2 1,-0.3 28,-0.2 -0.204 100.9 -9.3 -49.6 127.1 68.4 -5.4 56.1 64 64 A G T 3 S+ 0 0 37 27,-2.1 -1,-0.3 1,-0.2 28,-0.2 0.463 109.0 136.9 61.2 -2.1 68.2 -4.9 59.8 65 65 A A < - 0 0 1 -3,-1.8 28,-2.7 -4,-0.2 29,-1.4 0.018 51.7-125.1 -69.4 176.7 68.6 -1.2 59.1 66 66 A D E -Bc 31 94A 13 -35,-4.2 -35,-2.9 27,-0.2 2,-0.4 -0.882 20.1-162.8-119.5 152.9 66.8 1.8 60.6 67 67 A I E -Bc 30 95A 0 27,-1.6 29,-2.8 -2,-0.3 2,-0.4 -0.998 8.0-151.7-142.9 137.1 65.0 4.5 58.6 68 68 A Y E -Bc 29 96A 6 -39,-2.4 -39,-2.3 -2,-0.4 2,-0.4 -0.924 17.2-178.6-109.6 134.1 63.9 8.0 59.6 69 69 A V E -Bc 28 97A 0 27,-2.7 29,-2.0 -2,-0.4 30,-0.2 -0.992 24.6-148.2-135.0 136.6 60.9 9.4 57.8 70 70 A T S S+ 0 0 2 -43,-1.7 2,-0.3 -2,-0.4 29,-0.2 0.657 86.2 31.2 -82.5 -15.8 59.4 12.9 58.3 71 71 A L S S- 0 0 13 -44,-0.3 29,-0.2 27,-0.1 -1,-0.1 -0.998 104.8 -81.0-142.9 140.2 55.8 11.9 57.6 72 72 A E - 0 0 5 27,-1.9 3,-0.1 -2,-0.3 12,-0.1 -0.100 54.3-107.3 -43.3 120.1 54.0 8.6 58.2 73 73 A P - 0 0 1 0, 0.0 37,-0.2 0, 0.0 -1,-0.1 -0.244 43.1-102.6 -53.8 130.5 54.9 6.1 55.4 74 74 A C - 0 0 27 1,-0.1 10,-2.3 -3,-0.1 11,-0.3 -0.107 35.1-173.1 -53.8 153.8 51.8 5.7 53.1 75 75 A S + 0 0 3 8,-0.2 2,-0.3 7,-0.2 -1,-0.1 0.267 42.1 109.2-135.5 8.6 49.8 2.5 53.6 76 76 A H - 0 0 101 5,-0.1 2,-1.0 1,-0.0 7,-0.1 -0.648 68.7-118.7 -91.7 151.8 47.2 2.4 50.9 77 77 A Y + 0 0 158 -2,-0.3 2,-0.1 4,-0.1 -1,-0.0 -0.754 52.5 145.3 -93.1 97.0 47.3 -0.1 48.0 78 78 A G S S- 0 0 49 -2,-1.0 -1,-0.0 2,-1.0 0, 0.0 0.046 71.3 -49.9-104.7-145.0 47.5 1.8 44.8 79 79 A K S S+ 0 0 211 2,-0.1 -2,-0.1 -2,-0.1 0, 0.0 0.900 129.7 33.8 -61.9 -42.2 49.4 1.1 41.5 80 80 A T S S- 0 0 98 1,-0.1 -2,-1.0 0, 0.0 3,-0.1 -0.836 106.1 -85.1-113.8 154.4 52.6 0.4 43.5 81 81 A P - 0 0 77 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.191 54.4-101.2 -53.8 143.6 53.0 -1.2 46.9 82 82 A P > - 0 0 2 0, 0.0 4,-1.7 0, 0.0 -7,-0.2 -0.186 29.1-113.3 -62.9 165.9 52.6 1.4 49.7 83 83 A C H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.838 116.8 60.5 -70.8 -33.3 55.9 2.6 51.3 84 84 A A H > S+ 0 0 0 -10,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.930 110.0 44.2 -57.0 -42.3 55.1 0.9 54.6 85 85 A E H > S+ 0 0 43 -11,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.862 108.3 57.0 -67.6 -41.0 55.1 -2.3 52.6 86 86 A L H X S+ 0 0 57 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.888 110.1 46.1 -58.9 -39.9 58.3 -1.2 50.8 87 87 A I H >X>S+ 0 0 0 -4,-2.6 5,-1.2 2,-0.2 3,-0.7 0.913 110.5 52.1 -68.2 -47.7 59.9 -0.9 54.3 88 88 A I H ><5S+ 0 0 36 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.957 111.4 46.2 -54.2 -55.5 58.5 -4.3 55.5 89 89 A N H 3<5S+ 0 0 129 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.625 104.8 62.7 -68.0 -10.6 59.8 -6.2 52.6 90 90 A S H <<5S- 0 0 17 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.601 110.2-113.8 -91.2 -11.5 63.2 -4.5 52.7 91 91 A G T <<5 + 0 0 10 -3,-1.4 -27,-2.1 -4,-0.6 -3,-0.1 0.487 54.2 162.8 94.4 2.3 64.2 -5.9 56.1 92 92 A I < - 0 0 2 -5,-1.2 -1,-0.3 -29,-0.2 -26,-0.2 -0.342 18.5-169.0 -54.0 131.8 64.2 -2.5 58.0 93 93 A K + 0 0 108 -28,-2.7 27,-2.5 -31,-0.2 2,-0.4 0.725 64.3 33.4-100.0 -23.7 64.0 -3.4 61.7 94 94 A R E -cd 66 120A 69 -29,-1.4 -27,-1.6 25,-0.2 2,-0.4 -0.995 63.4-161.8-135.1 140.9 63.4 0.0 63.2 95 95 A V E -cd 67 121A 0 25,-3.5 27,-2.6 -2,-0.4 2,-0.8 -0.969 5.9-159.3-128.2 126.5 61.4 3.1 62.0 96 96 A F E -cd 68 122A 2 -29,-2.8 -27,-2.7 -2,-0.4 2,-0.5 -0.854 15.9-174.7-105.9 104.4 61.6 6.7 63.2 97 97 A V E -cd 69 123A 0 25,-2.5 27,-1.6 -2,-0.8 28,-0.5 -0.853 17.2-162.7-102.2 126.0 58.5 8.6 62.3 98 98 A A S S- 0 0 2 -29,-2.0 2,-0.3 -2,-0.5 26,-0.3 0.949 72.6 -7.0 -70.8 -47.8 58.2 12.4 63.0 99 99 A M - 0 0 14 -29,-0.2 -27,-1.9 -30,-0.2 -1,-0.2 -0.994 68.6-108.9-151.3 156.1 54.4 12.6 62.6 100 100 A R - 0 0 105 -2,-0.3 7,-0.1 -29,-0.2 23,-0.0 -0.323 54.4 -74.4 -79.8 165.4 51.3 10.7 61.7 101 101 A D - 0 0 33 1,-0.1 6,-0.2 5,-0.1 -1,-0.2 -0.240 36.2-129.5 -57.5 140.6 49.3 11.3 58.6 102 102 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.777 86.2 90.0 -66.4 -21.8 47.1 14.4 58.7 103 103 A N >> - 0 0 48 1,-0.1 4,-2.7 2,-0.0 3,-0.8 -0.550 69.1-150.1 -77.9 136.5 44.1 12.4 57.6 104 104 A P T 34 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.774 98.7 58.8 -74.8 -24.1 42.0 10.8 60.4 105 105 A L T 34 S+ 0 0 141 1,-0.1 -2,-0.0 -3,-0.0 -4,-0.0 0.559 120.6 26.2 -80.0 -7.6 41.1 8.0 58.1 106 106 A V T X4 S+ 0 0 18 -3,-0.8 3,-3.0 -5,-0.1 4,-0.4 0.681 83.1 122.7-123.6 -34.5 44.8 7.1 57.7 107 107 A A T 3< S+ 0 0 38 -4,-2.7 -7,-0.1 1,-0.3 0, 0.0 0.013 90.9 3.1 -37.9 128.6 46.8 8.3 60.7 108 108 A G T 3> S+ 0 0 8 1,-0.1 4,-2.9 3,-0.0 5,-0.4 0.209 99.4 112.5 77.3 -16.5 48.6 5.4 62.4 109 109 A R H <> S+ 0 0 94 -3,-3.0 4,-2.1 1,-0.2 -2,-0.1 0.957 84.0 37.6 -50.8 -59.7 47.4 3.0 59.7 110 110 A G H > S+ 0 0 0 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.878 113.0 59.3 -61.2 -39.8 50.9 2.6 58.3 111 111 A I H >> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.973 111.0 39.2 -52.8 -57.9 52.4 2.7 61.8 112 112 A S H 3X S+ 0 0 62 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.851 110.2 63.2 -61.0 -33.2 50.4 -0.3 62.9 113 113 A M H 3< S+ 0 0 38 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.899 108.2 40.8 -57.9 -42.4 51.0 -1.8 59.5 114 114 A M H X<>S+ 0 0 0 -4,-2.3 5,-1.9 -3,-0.6 3,-1.1 0.824 112.1 52.4 -78.2 -34.3 54.8 -1.9 60.2 115 115 A K H ><5S+ 0 0 106 -4,-2.0 3,-3.1 1,-0.3 -2,-0.2 0.913 102.1 62.2 -67.0 -38.8 54.6 -3.1 63.8 116 116 A E T 3<5S+ 0 0 169 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.651 99.2 55.9 -59.9 -13.9 52.4 -5.9 62.6 117 117 A A T < 5S- 0 0 47 -3,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.368 128.3-100.2 -98.8 3.3 55.5 -6.9 60.5 118 118 A G T < 5S+ 0 0 67 -3,-3.1 -3,-0.2 1,-0.3 2,-0.2 0.437 77.6 141.9 93.7 2.6 57.6 -7.1 63.7 119 119 A I < - 0 0 13 -5,-1.9 2,-0.5 1,-0.1 -1,-0.3 -0.488 52.2-123.6 -79.5 145.6 59.2 -3.7 63.1 120 120 A E E -d 94 0A 83 -27,-2.5 -25,-3.5 -2,-0.2 2,-0.5 -0.793 28.3-165.5 -90.3 125.5 59.9 -1.3 66.0 121 121 A V E -d 95 0A 20 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.949 9.2-175.3-119.5 122.6 58.3 2.1 65.5 122 122 A R E -d 96 0A 121 -27,-2.6 -25,-2.5 -2,-0.5 2,-0.3 -0.913 14.9-161.0-111.9 141.0 59.2 5.3 67.5 123 123 A E E +d 97 0A 71 -2,-0.4 -25,-0.2 -27,-0.2 -24,-0.1 -0.836 50.1 34.5-126.2 161.2 57.3 8.5 66.9 124 124 A G > + 0 0 39 -27,-1.6 3,-1.7 -2,-0.3 2,-0.4 0.388 57.4 151.0 89.4 -2.7 57.4 12.3 67.5 125 125 A I T 3 S- 0 0 33 -28,-0.5 -1,-0.2 1,-0.3 5,-0.1 -0.508 84.8 -9.2 -69.4 119.7 61.1 13.1 67.0 126 126 A L T 3> S+ 0 0 33 -2,-0.4 4,-2.4 3,-0.1 3,-0.4 0.809 85.9 158.4 62.6 32.0 61.3 16.7 65.7 127 127 A A H <> + 0 0 31 -3,-1.7 4,-2.0 1,-0.2 -2,-0.1 0.862 65.4 58.7 -52.5 -42.2 57.6 16.7 65.2 128 128 A D H > S+ 0 0 126 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 108.8 42.5 -55.8 -47.3 57.5 20.5 65.3 129 129 A Q H > S+ 0 0 73 -3,-0.4 4,-3.2 2,-0.2 -1,-0.2 0.932 113.2 52.3 -67.1 -44.1 59.8 20.9 62.3 130 130 A A H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.818 110.2 52.0 -59.4 -29.3 58.0 18.1 60.5 131 131 A E H < S+ 0 0 46 -4,-2.0 3,-0.3 -5,-0.3 -2,-0.2 0.930 112.2 43.1 -72.3 -47.2 54.9 20.1 61.3 132 132 A R H >< S+ 0 0 124 -4,-2.4 3,-2.7 1,-0.2 4,-0.3 0.946 101.1 70.0 -62.8 -52.4 56.3 23.3 59.8 133 133 A L H 3< S+ 0 0 26 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.785 118.4 18.5 -34.7 -48.8 57.8 21.7 56.7 134 134 A N T 3X S+ 0 0 11 -4,-0.8 4,-3.5 -3,-0.3 -1,-0.3 0.121 87.1 139.7-114.5 19.5 54.4 21.0 55.1 135 135 A E H <> S+ 0 0 39 -3,-2.7 4,-2.3 1,-0.2 -1,-0.1 0.732 72.3 42.4 -32.2 -52.5 52.4 23.5 57.3 136 136 A K H > S+ 0 0 49 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.990 117.7 47.6 -64.2 -54.8 50.1 24.8 54.6 137 137 A F H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 110.1 53.5 -48.2 -50.3 49.6 21.3 53.2 138 138 A L H X S+ 0 0 2 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.937 109.6 47.6 -52.1 -49.9 48.9 20.1 56.7 139 139 A H H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 6,-0.5 0.899 109.1 54.2 -56.8 -46.2 46.3 22.8 57.2 140 140 A F H X S+ 0 0 32 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.884 112.6 43.0 -56.6 -43.3 44.6 21.9 53.9 141 141 A M H < S+ 0 0 74 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.883 115.2 46.9 -74.1 -40.6 44.3 18.3 54.8 142 142 A R H < S+ 0 0 122 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.845 128.2 23.9 -72.1 -32.4 43.1 18.7 58.4 143 143 A T H < S- 0 0 72 -4,-2.4 -2,-0.2 2,-0.3 -3,-0.2 0.629 94.9-126.2-107.8 -19.6 40.5 21.4 57.6 144 144 A G S < S+ 0 0 43 -4,-1.8 -4,-0.2 -5,-0.4 -3,-0.1 0.643 78.6 97.8 81.5 14.2 39.6 20.9 53.9 145 145 A L S S- 0 0 67 -6,-0.5 -1,-0.3 -5,-0.2 -2,-0.3 -0.945 79.9 -97.0-133.0 154.7 40.4 24.5 53.1 146 146 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 140,-0.3 -0.299 41.8-103.0 -70.8 155.3 43.4 26.2 51.7 147 147 A Y E -e 286 0B 6 138,-3.3 140,-3.2 158,-0.1 2,-0.5 -0.673 42.8-153.1 -76.9 121.8 45.9 27.9 53.9 148 148 A V E -e 287 0B 0 -2,-0.5 158,-2.9 138,-0.2 159,-1.2 -0.853 17.1-175.8-107.6 133.1 45.2 31.7 53.7 149 149 A T E -ef 288 307B 0 138,-2.9 140,-3.3 -2,-0.5 2,-0.5 -0.990 12.3-154.0-122.8 129.8 47.7 34.5 54.2 150 150 A L E -ef 289 308B 0 157,-2.7 159,-3.0 -2,-0.4 2,-0.4 -0.907 17.5-175.0-103.5 130.5 46.6 38.1 54.2 151 151 A K E + f 0 309B 20 138,-2.5 2,-0.3 -2,-0.5 159,-0.2 -0.978 8.6 162.6-130.3 140.7 49.3 40.6 53.2 152 152 A A E - f 0 310B 8 157,-2.1 159,-2.8 -2,-0.4 2,-0.5 -0.996 26.6-144.3-154.3 152.9 49.2 44.4 53.0 153 153 A A E + f 0 311B 20 -2,-0.3 2,-0.2 157,-0.2 159,-0.2 -0.987 33.3 158.2-121.5 125.4 51.6 47.4 52.9 154 154 A A E - f 0 312B 0 157,-2.9 159,-2.0 -2,-0.5 6,-0.2 -0.827 42.3 -94.5-138.0 175.4 50.6 50.6 54.7 155 155 A S E > - f 0 313B 0 4,-2.1 3,-2.7 -2,-0.2 4,-0.2 -0.492 53.5 -94.0 -86.3 165.8 52.0 53.7 56.2 156 156 A L T 3 S+ 0 0 1 159,-1.5 160,-0.2 157,-1.2 -1,-0.1 0.748 127.7 55.7 -51.7 -26.9 52.8 53.7 59.9 157 157 A D T 3 S- 0 0 0 158,-0.7 888,-0.7 2,-0.1 889,-0.5 0.272 126.0 -99.2 -93.4 14.8 49.3 55.1 60.7 158 158 A G S < S+ 0 0 0 -3,-2.7 167,-1.2 1,-0.2 2,-0.5 0.735 73.5 143.0 79.7 27.0 47.6 52.3 58.9 159 159 A K B -M 324 0C 2 -4,-0.2 -4,-2.1 165,-0.2 -1,-0.2 -0.853 34.6-168.8-103.8 134.0 46.9 53.8 55.5 160 160 A I S S- 0 0 45 163,-2.3 2,-0.3 -2,-0.5 164,-0.1 0.369 78.4 -5.0 -97.1 2.7 47.2 51.8 52.3 161 161 A A S S- 0 0 9 162,-0.6 -1,-0.2 156,-0.1 6,-0.2 -0.908 81.2 -93.0 178.9 161.0 46.8 54.9 50.1 162 162 A T > - 0 0 1 4,-2.8 3,-1.5 -2,-0.3 890,-0.2 -0.114 53.7 -88.7 -75.1-176.3 46.2 58.7 50.4 163 163 A S T 3 S+ 0 0 46 888,-0.5 889,-0.1 1,-0.3 -1,-0.1 0.597 129.2 54.8 -72.8 -9.2 42.7 60.2 50.1 164 164 A T T 3 S- 0 0 83 888,-0.5 -1,-0.3 2,-0.2 3,-0.1 0.341 121.5-104.6-103.5 5.2 43.2 60.5 46.4 165 165 A G S < S+ 0 0 51 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.299 72.0 146.7 91.0 -11.2 44.1 56.8 45.9 166 166 A D + 0 0 18 886,-0.4 -4,-2.8 1,-0.1 -1,-0.3 -0.427 9.2 156.8 -63.1 124.5 47.8 57.5 45.5 167 167 A S > + 0 0 41 -6,-0.2 3,-0.8 -2,-0.2 2,-0.3 -0.013 21.5 138.3-137.8 24.4 49.8 54.6 46.9 168 168 A K T 3 S+ 0 0 124 1,-0.2 -2,-0.0 2,-0.1 -7,-0.0 -0.628 75.3 10.7 -74.5 130.1 53.0 55.2 45.0 169 169 A W T 3 S+ 0 0 159 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.875 80.6 127.8 72.4 42.4 55.9 54.6 47.3 170 170 A I S < S+ 0 0 7 -3,-0.8 2,-0.3 1,-0.2 -16,-0.1 0.758 74.5 36.3 -97.4 -26.0 54.3 53.2 50.4 171 171 A T S S- 0 0 30 -4,-0.2 -1,-0.2 -18,-0.1 -2,-0.2 -0.939 87.4-116.5-122.4 148.4 56.6 50.2 50.6 172 172 A S > - 0 0 16 -2,-0.3 4,-2.4 176,-0.2 5,-0.2 -0.171 28.7-109.0 -74.7 172.5 60.3 50.0 49.8 173 173 A E H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 123.2 57.2 -68.1 -32.8 61.8 47.9 47.0 174 174 A A H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 108.5 44.0 -61.9 -46.8 63.2 45.8 49.9 175 175 A A H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.956 113.3 49.6 -64.7 -52.4 59.7 45.2 51.3 176 176 A R H X S+ 0 0 99 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.861 113.0 48.8 -54.8 -37.8 58.1 44.5 47.9 177 177 A Q H >X S+ 0 0 104 -4,-2.3 4,-0.5 2,-0.2 3,-0.5 0.927 111.2 48.7 -69.8 -44.4 60.9 42.0 47.1 178 178 A D H >< S+ 0 0 45 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.887 109.2 53.3 -62.3 -39.3 60.6 40.3 50.5 179 179 A A H >< S+ 0 0 4 -4,-2.8 3,-1.1 1,-0.3 4,-0.4 0.741 94.6 71.5 -67.4 -23.1 56.8 40.0 50.0 180 180 A Q H X< S+ 0 0 4 -4,-0.9 3,-1.4 -3,-0.5 4,-0.3 0.776 79.7 76.0 -65.2 -24.7 57.5 38.4 46.7 181 181 A Q G XX S+ 0 0 84 -3,-1.2 3,-1.6 -4,-0.5 4,-0.9 0.871 90.5 55.6 -53.3 -39.2 58.7 35.3 48.6 182 182 A Y G <4 S+ 0 0 20 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.739 92.8 67.8 -69.3 -21.6 55.1 34.4 49.3 183 183 A R G <4 S+ 0 0 9 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.576 106.9 43.9 -73.5 -4.0 54.2 34.5 45.6 184 184 A K T <4 S+ 0 0 91 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.662 111.4 49.8-108.8 -24.2 56.4 31.4 45.5 185 185 A T S < S+ 0 0 43 -4,-0.9 2,-0.3 -168,-0.0 -2,-0.2 0.010 104.9 67.3-102.5 24.7 55.2 29.5 48.6 186 186 A H S S- 0 0 9 -4,-0.1 101,-0.1 100,-0.1 3,-0.1 -0.991 70.1-141.5-142.4 149.1 51.5 29.8 47.7 187 187 A Q S S+ 0 0 48 -2,-0.3 28,-3.4 99,-0.3 2,-0.3 0.664 85.1 24.4 -86.1 -16.7 49.5 28.3 44.9 188 188 A S E -gh 215 287B 0 98,-0.8 100,-2.3 26,-0.3 2,-0.4 -0.974 59.2-149.9-144.7 157.1 47.3 31.3 44.2 189 189 A I E -gh 216 288B 0 26,-2.5 28,-2.8 -2,-0.3 2,-0.4 -0.998 24.9-163.0-126.3 123.4 47.4 35.1 44.6 190 190 A L E +gh 217 289B 0 98,-2.2 101,-1.3 -2,-0.4 100,-1.0 -0.901 19.4 154.0-120.1 141.2 44.0 36.7 45.2 191 191 A V E -gh 218 291B 0 26,-1.9 28,-1.9 -2,-0.4 2,-0.2 -0.948 40.4-107.8-147.6 162.1 42.8 40.3 44.9 192 192 A G E >> -g 219 0B 7 99,-1.4 3,-1.3 -2,-0.3 4,-0.9 -0.546 40.4-102.5 -89.2 162.4 39.4 42.0 44.2 193 193 A V H >> S+ 0 0 17 26,-2.4 4,-2.2 1,-0.3 3,-0.5 0.837 116.8 74.7 -53.3 -33.7 38.8 43.7 40.8 194 194 A G H 3> S+ 0 0 49 25,-0.3 4,-2.6 1,-0.3 -1,-0.3 0.897 95.4 48.1 -45.2 -46.9 39.3 47.0 42.6 195 195 A T H <>>S+ 0 0 25 -3,-1.3 4,-2.3 96,-0.2 5,-1.2 0.853 108.7 54.2 -64.8 -35.0 43.1 46.3 42.7 196 196 A V H <<5S+ 0 0 2 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.855 111.6 45.4 -68.4 -32.9 43.0 45.4 39.0 197 197 A K H <5S+ 0 0 117 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.943 119.6 38.1 -75.3 -48.9 41.4 48.7 38.2 198 198 A A H <5S+ 0 0 77 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.927 138.2 10.0 -68.9 -47.3 43.6 50.9 40.3 199 199 A D T <5S- 0 0 96 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.713 74.5-149.7-110.1 -22.6 47.0 49.2 39.8 200 200 A N < - 0 0 52 -5,-1.2 30,-0.2 -4,-0.1 -4,-0.2 0.949 32.5-177.2 49.0 54.2 46.6 46.6 37.0 201 201 A P - 0 0 26 0, 0.0 30,-0.6 0, 0.0 -1,-0.1 -0.350 33.4-140.1 -78.3 163.4 49.2 44.4 38.7 202 202 A S - 0 0 19 28,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.719 22.9-149.8 -93.9 -26.9 50.4 41.2 37.1 203 203 A L + 0 0 0 1,-0.2 2,-0.2 13,-0.0 -14,-0.0 0.833 44.8 146.5 61.2 33.5 50.6 39.4 40.5 204 204 A T - 0 0 6 9,-0.1 2,-0.6 12,-0.0 -1,-0.2 -0.605 55.8-112.0-100.7 161.7 53.4 37.3 39.2 205 205 A C + 0 0 3 -2,-0.2 -24,-0.1 -22,-0.2 5,-0.0 -0.826 32.3 177.4 -92.5 121.8 56.4 35.8 41.0 206 206 A R + 0 0 121 -2,-0.6 -1,-0.1 -29,-0.1 4,-0.1 -0.010 30.9 128.5-118.7 32.2 59.5 37.5 39.7 207 207 A L S S- 0 0 31 -27,-0.2 -2,-0.0 2,-0.1 3,-0.0 -0.431 73.0 -88.3 -82.0 161.3 62.2 35.8 41.9 208 208 A P S S+ 0 0 120 0, 0.0 2,-0.9 0, 0.0 -1,-0.0 0.858 114.8 25.4 -31.7 -91.1 65.4 34.2 40.3 209 209 A N S S+ 0 0 57 1,-0.1 2,-0.3 185,-0.0 -2,-0.1 -0.755 73.1 163.5 -86.1 110.5 64.4 30.6 39.6 210 210 A V + 0 0 41 -2,-0.9 -5,-0.1 1,-0.2 -1,-0.1 -0.624 4.2 165.8-129.5 75.6 60.6 30.7 39.2 211 211 A T + 0 0 80 -2,-0.3 2,-0.3 183,-0.1 -1,-0.2 0.937 67.7 29.5 -53.9 -58.3 59.5 27.4 37.5 212 212 A K S S- 0 0 142 -194,-0.1 -1,-0.1 -28,-0.1 25,-0.1 -0.825 73.1-140.1-110.6 148.5 55.8 27.6 38.1 213 213 A Q - 0 0 34 -2,-0.3 -29,-0.1 23,-0.1 -9,-0.1 -0.822 26.1-113.4-103.1 143.3 53.6 30.7 38.5 214 214 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -26,-0.3 -0.321 39.9 -93.5 -70.9 157.1 50.8 30.8 41.1 215 215 A V E -g 188 0B 18 -28,-3.4 -26,-2.5 22,-0.1 2,-0.8 -0.587 35.4-134.7 -75.3 125.9 47.2 31.0 40.0 216 216 A R E -gi 189 239B 1 22,-2.5 24,-3.2 -2,-0.4 2,-0.6 -0.725 24.6-168.9 -84.6 110.5 45.9 34.6 39.7 217 217 A V E -gi 190 240B 0 -28,-2.8 -26,-1.9 -2,-0.8 2,-0.4 -0.888 4.5-170.8-107.2 117.1 42.5 34.7 41.4 218 218 A I E -gi 191 241B 0 22,-2.7 24,-2.1 -2,-0.6 2,-0.7 -0.850 17.2-145.1-106.8 136.9 40.3 37.8 41.0 219 219 A L E +gi 192 242B 13 -28,-1.9 -26,-2.4 -2,-0.4 -25,-0.3 -0.903 31.3 165.2 -98.4 113.2 37.0 38.5 42.9 220 220 A D > - 0 0 1 22,-2.5 3,-1.6 -2,-0.7 24,-0.3 -0.668 19.8-172.7-135.6 81.4 34.8 40.3 40.4 221 221 A T T 3 S+ 0 0 41 1,-0.3 23,-1.6 -2,-0.3 25,-0.3 0.797 90.2 23.4 -39.3 -51.3 31.0 40.5 41.3 222 222 A V T 3 S- 0 0 54 21,-0.2 26,-0.5 24,-0.1 -1,-0.3 0.342 104.4-115.4-103.9 6.5 29.8 42.0 38.0 223 223 A L < + 0 0 4 -3,-1.6 25,-0.2 19,-0.2 -2,-0.1 0.964 66.8 146.3 57.6 47.9 32.7 40.9 35.8 224 224 A S + 0 0 48 23,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.187 20.6 138.1 -98.9 14.3 33.6 44.6 35.4 225 225 A I - 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