==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, OXIDOREDUCTASE 02-NOV-05 2D5N . COMPND 2 MOLECULE: RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.H.LIAW,S.J.CHEN,Y.C.CHANG . 1437 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 998 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 135 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.5 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 6 0 1 13 5 10 5 0 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 3 15 6 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 PARALLEL BRIDGES PER LADDER . 9 1 0 3 6 2 2 1 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 3 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 0 145 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -24.6 71.0 11.3 67.6 2 2 A E H > + 0 0 72 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.893 360.0 47.6 -69.2 -39.5 67.4 10.5 66.7 3 3 A E H > S+ 0 0 128 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.613 103.2 63.4 -77.5 -13.3 66.7 14.1 66.0 4 4 A Y H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.948 109.6 38.5 -72.6 -50.9 69.8 14.4 63.9 5 5 A Y H X S+ 0 0 19 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.800 115.4 52.9 -68.9 -32.0 68.5 12.0 61.4 6 6 A M H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.799 110.5 48.6 -74.6 -27.9 64.9 13.3 61.6 7 7 A K H X S+ 0 0 81 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.858 107.7 53.8 -77.5 -35.5 66.3 16.8 61.0 8 8 A L H X S+ 0 0 14 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.949 109.3 50.4 -59.9 -46.6 68.3 15.6 58.0 9 9 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.842 107.2 53.4 -59.3 -38.6 65.0 14.1 56.7 10 10 A L H X S+ 0 0 8 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.878 110.1 46.8 -66.5 -38.3 63.2 17.5 57.2 11 11 A D H < S+ 0 0 82 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.786 114.9 46.8 -73.9 -29.4 65.9 19.3 55.1 12 12 A L H >< S+ 0 0 6 -4,-1.8 3,-1.5 -5,-0.2 -2,-0.2 0.927 107.9 56.8 -74.7 -45.6 65.7 16.7 52.4 13 13 A A H >< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.3 13,-0.4 0.909 105.9 51.4 -47.8 -49.7 61.9 16.8 52.5 14 14 A K G >< S+ 0 0 96 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.637 85.3 84.8 -65.5 -19.4 62.0 20.6 51.8 15 15 A Q G < S+ 0 0 18 -3,-1.5 -1,-0.3 -4,-0.5 741,-0.2 0.354 94.3 47.6 -69.4 13.3 64.3 20.2 48.8 16 16 A G G X S+ 0 0 0 -3,-0.8 3,-0.8 739,-0.1 -1,-0.3 0.389 75.7 141.2-130.4 -1.5 61.2 19.5 46.7 17 17 A E T < S+ 0 0 86 -3,-1.7 -3,-0.0 1,-0.3 168,-0.0 -0.044 74.0 20.6 -43.4 143.4 58.9 22.4 47.9 18 18 A G T 3 S+ 0 0 52 3,-0.2 -1,-0.3 1,-0.1 194,-0.2 0.805 107.3 85.5 61.9 31.1 56.8 23.8 45.0 19 19 A Q S < S+ 0 0 14 -3,-0.8 26,-0.8 23,-0.1 -2,-0.1 0.160 88.6 44.9-141.3 9.3 57.4 20.6 43.0 20 20 A T S S- 0 0 5 24,-0.2 2,-0.8 3,-0.2 3,-0.2 0.539 78.8-170.1-126.3 -28.0 54.5 18.6 44.4 21 21 A E S S+ 0 0 82 1,-0.2 -3,-0.2 24,-0.1 -1,-0.1 -0.568 79.0 11.6 73.0-106.2 51.7 21.2 44.4 22 22 A S S S+ 0 0 32 -2,-0.8 -1,-0.2 2,-0.1 261,-0.0 0.174 115.6 91.8 -90.2 16.2 48.8 19.7 46.3 23 23 A N S S- 0 0 43 -3,-0.2 2,-0.2 1,-0.0 -3,-0.2 -0.730 81.6 -99.5-108.2 159.7 51.0 16.8 47.7 24 24 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.492 25.6-121.4 -83.5 150.9 53.0 16.7 50.9 25 25 A L + 0 0 9 -2,-0.2 2,-0.4 16,-0.1 -11,-0.1 -0.740 39.2 179.5 -85.0 128.0 56.7 17.4 51.3 26 26 A V - 0 0 13 -2,-0.5 16,-1.7 -13,-0.4 2,-0.4 -0.996 16.9-162.5-137.5 139.5 58.4 14.3 52.8 27 27 A G E -A 41 0A 0 -2,-0.4 43,-1.7 14,-0.2 2,-0.4 -0.933 10.1-169.9-118.9 146.2 61.9 13.4 53.7 28 28 A A E -AB 40 69A 0 12,-3.4 12,-1.3 -2,-0.4 2,-0.4 -0.978 7.8-177.6-143.4 131.5 63.3 10.0 54.3 29 29 A V E -AB 39 68A 0 39,-1.7 39,-2.7 -2,-0.4 2,-0.6 -0.983 11.6-158.1-129.3 131.9 66.5 8.6 55.7 30 30 A V E -AB 38 67A 0 8,-2.8 7,-2.6 -2,-0.4 8,-1.2 -0.935 12.5-168.8-108.9 114.0 67.6 5.0 56.1 31 31 A V E +AB 36 66A 6 35,-0.8 35,-2.6 -2,-0.6 5,-0.2 -0.870 6.3 179.8-101.3 133.8 70.3 4.5 58.7 32 32 A K S S- 0 0 52 3,-3.2 -1,-0.2 -2,-0.4 2,-0.1 0.818 70.2 -8.6 -98.7 -88.4 72.0 1.1 58.8 33 33 A D S S- 0 0 97 2,-0.2 3,-0.1 896,-0.0 32,-0.1 -0.371 128.7 -55.2-108.2 52.4 74.8 0.4 61.3 34 34 A G S S+ 0 0 30 1,-0.3 2,-0.4 -2,-0.1 -3,-0.0 0.523 120.3 112.6 86.7 6.5 75.1 4.0 62.4 35 35 A Q S S- 0 0 20 704,-0.0 -3,-3.2 729,-0.0 2,-0.7 -0.955 74.1-121.6-119.3 129.4 75.6 4.8 58.7 36 36 A I E +A 31 0A 5 -2,-0.4 -5,-0.2 699,-0.3 3,-0.1 -0.525 37.0 168.1 -67.6 108.0 73.3 6.8 56.4 37 37 A V E + 0 0 7 -7,-2.6 2,-0.3 -2,-0.7 -6,-0.2 0.492 60.3 20.1-100.7 -7.9 72.6 4.3 53.6 38 38 A G E -A 30 0A 0 -8,-1.2 -8,-2.8 20,-0.1 2,-0.3 -0.919 54.5-173.3-166.4 138.2 69.7 6.1 51.9 39 39 A M E +A 29 0A 8 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.926 15.0 163.6-129.2 154.1 68.1 9.5 51.5 40 40 A G E -A 28 0A 3 -12,-1.3 -12,-3.4 -2,-0.3 2,-0.3 -0.960 15.6-175.8-170.7 150.6 64.9 10.6 49.8 41 41 A A E -A 27 0A 1 -2,-0.3 2,-1.0 -14,-0.3 -14,-0.2 -0.975 42.3-100.4-145.9 152.8 62.3 13.4 49.4 42 42 A H + 0 0 5 -16,-1.7 -16,-0.2 -2,-0.3 -23,-0.1 -0.694 51.2 165.1 -80.3 108.2 59.1 13.6 47.5 43 43 A L + 0 0 2 -2,-1.0 2,-0.2 5,-0.4 -1,-0.2 0.952 48.9 37.3 -89.6 -69.3 60.2 15.7 44.5 44 44 A K S > S- 0 0 32 4,-0.2 3,-1.5 713,-0.1 -24,-0.2 -0.603 85.0-105.5 -91.8 150.7 57.7 15.6 41.6 45 45 A Y T 3 S+ 0 0 112 -26,-0.8 3,-0.1 1,-0.3 -25,-0.1 -0.495 106.9 11.3 -69.1 135.7 53.9 15.6 41.9 46 46 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.663 112.3 105.7 70.8 14.5 52.5 12.2 41.1 47 47 A E S < S- 0 0 79 -3,-1.5 -1,-0.3 1,-0.3 0, 0.0 -0.652 77.0 -36.4-120.5 178.7 55.9 10.6 41.2 48 48 A A - 0 0 40 -2,-0.2 -5,-0.4 1,-0.1 -1,-0.3 0.203 61.8-118.2 -31.8 143.6 58.0 8.4 43.6 49 49 A H >> - 0 0 68 -7,-0.1 4,-2.2 1,-0.1 3,-1.2 -0.606 23.2-110.0 -89.3 151.8 57.6 8.9 47.3 50 50 A A H 3> S+ 0 0 0 1,-0.3 4,-2.3 -2,-0.2 -22,-0.2 0.824 121.8 52.4 -46.9 -37.1 60.4 10.0 49.6 51 51 A E H 3> S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.843 107.6 53.0 -70.1 -33.4 60.4 6.5 51.1 52 52 A V H <> S+ 0 0 56 -3,-1.2 4,-1.9 2,-0.2 5,-0.2 0.958 110.5 45.2 -66.6 -51.2 60.7 5.0 47.7 53 53 A H H X S+ 0 0 30 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.968 117.2 44.8 -55.0 -57.5 63.7 7.0 46.7 54 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.843 112.4 49.5 -58.3 -40.9 65.5 6.4 50.0 55 55 A I H X S+ 0 0 13 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.837 110.6 50.3 -71.3 -32.5 64.7 2.6 50.2 56 56 A H H >< S+ 0 0 106 -4,-1.9 3,-1.2 -3,-0.2 -2,-0.2 0.967 113.5 45.4 -67.2 -52.2 66.0 2.0 46.7 57 57 A M H 3< S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.3 4,-0.2 0.945 108.3 57.7 -52.8 -51.9 69.2 3.9 47.3 58 58 A A H >< S+ 0 0 1 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.3 0.711 86.1 168.7 -53.2 -23.9 69.5 2.0 50.7 59 59 A G G X< - 0 0 35 -3,-1.2 3,-2.1 -4,-0.7 4,-0.2 -0.029 64.0 -8.2 45.3-138.6 69.4 -1.2 48.7 60 60 A A G > S+ 0 0 87 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.707 127.0 72.2 -61.7 -20.5 70.4 -4.4 50.6 61 61 A H G < S+ 0 0 48 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.495 76.0 86.0 -73.1 -0.7 71.4 -2.2 53.5 62 62 A A G X S+ 0 0 3 -3,-2.1 3,-1.3 -4,-0.2 -1,-0.3 0.822 70.8 91.4 -67.2 -31.9 67.7 -1.7 53.9 63 63 A E T < S+ 0 0 119 -3,-1.4 29,-0.2 1,-0.3 28,-0.2 -0.325 100.7 2.6 -66.7 143.8 67.6 -4.9 56.0 64 64 A G T 3 S+ 0 0 35 27,-2.2 -1,-0.3 1,-0.2 28,-0.2 0.593 110.7 125.5 56.5 7.5 68.0 -4.7 59.7 65 65 A A < - 0 0 0 -3,-1.3 28,-2.8 26,-0.1 29,-1.3 -0.104 56.6-126.7 -86.9-175.0 68.1 -1.0 59.1 66 66 A D E -Bc 31 94A 13 -35,-2.6 -35,-0.8 27,-0.2 2,-0.3 -0.817 15.6-159.4-126.0 167.0 66.2 2.0 60.5 67 67 A I E -Bc 30 95A 0 27,-1.2 29,-2.4 -2,-0.3 2,-0.7 -0.961 8.8-152.1-154.6 131.9 64.3 4.8 58.7 68 68 A Y E -Bc 29 96A 4 -39,-2.7 -39,-1.7 -2,-0.3 2,-0.4 -0.930 19.1-175.0-108.5 112.2 63.3 8.2 59.8 69 69 A V E -Bc 28 97A 0 27,-2.4 29,-1.3 -2,-0.7 30,-0.2 -0.901 24.9-145.3-109.6 136.1 60.2 9.4 57.9 70 70 A T S S+ 0 0 1 -43,-1.7 2,-0.2 -2,-0.4 27,-0.1 0.346 87.0 23.0 -79.7 7.5 58.8 13.0 58.4 71 71 A L S S- 0 0 7 -44,-0.2 -1,-0.2 27,-0.1 29,-0.2 -0.796 103.8 -76.3-174.8 128.5 55.2 11.7 57.9 72 72 A E - 0 0 7 27,-2.5 3,-0.1 -2,-0.2 12,-0.1 0.089 63.4-106.2 -27.8 117.4 53.4 8.4 58.4 73 73 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 -0.264 43.3 -84.9 -58.4 137.4 54.3 6.3 55.3 74 74 A a - 0 0 27 -3,-0.1 10,-3.0 1,-0.1 11,-0.4 -0.112 48.5-179.7 -43.4 123.7 51.7 5.9 52.6 75 75 A S + 0 0 7 8,-0.2 2,-0.3 7,-0.2 -1,-0.1 0.089 40.5 98.9-122.6 26.9 49.5 2.9 53.6 76 76 A H S S- 0 0 102 5,-0.1 2,-1.0 34,-0.0 9,-0.1 -0.840 71.0-118.2-114.4 151.7 46.9 2.5 50.9 77 77 A Y + 0 0 155 -2,-0.3 2,-0.1 4,-0.1 -2,-0.0 -0.753 53.8 139.1 -94.7 99.6 46.8 0.0 48.0 78 78 A G S S- 0 0 44 2,-1.2 0, 0.0 -2,-1.0 0, 0.0 -0.142 75.6 -43.5-112.5-150.2 46.8 1.9 44.7 79 79 A K S S+ 0 0 208 -2,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.879 131.9 30.6 -48.1 -44.5 48.7 1.3 41.4 80 80 A T S S- 0 0 106 1,-0.1 -2,-1.2 0, 0.0 3,-0.1 -0.823 103.8 -85.0-117.3 156.9 51.8 0.5 43.5 81 81 A P - 0 0 77 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.240 55.6 -99.3 -56.9 140.9 52.3 -1.0 46.9 82 82 A P > - 0 0 1 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.262 27.1-116.0 -62.9 157.8 52.1 1.6 49.7 83 83 A a H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -8,-0.2 0.818 116.3 58.5 -61.8 -34.9 55.4 2.9 51.1 84 84 A A H > S+ 0 0 0 -10,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.916 110.2 42.1 -63.1 -42.0 54.5 1.3 54.5 85 85 A E H > S+ 0 0 54 -11,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.820 112.1 56.3 -72.8 -29.3 54.2 -2.1 52.8 86 86 A L H X S+ 0 0 65 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.827 107.1 49.1 -70.1 -32.4 57.4 -1.2 50.9 87 87 A I H X>S+ 0 0 0 -4,-2.1 5,-1.1 1,-0.2 4,-0.7 0.980 108.0 54.9 -66.6 -56.4 59.1 -0.6 54.3 88 88 A I H <5S+ 0 0 37 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.764 109.5 46.3 -47.7 -36.6 57.9 -3.9 55.6 89 89 A N H <5S+ 0 0 120 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.916 99.4 64.9 -79.5 -40.4 59.4 -5.9 52.7 90 90 A S H <5S- 0 0 26 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.661 112.2-114.3 -55.9 -16.0 62.8 -4.2 52.6 91 91 A G T <5 + 0 0 8 -4,-0.7 -27,-2.2 -3,-0.3 -3,-0.1 0.622 52.6 168.8 91.5 12.4 63.5 -5.7 56.0 92 92 A I < - 0 0 0 -5,-1.1 -1,-0.2 -29,-0.2 -26,-0.2 -0.315 19.2-165.1 -56.6 141.8 63.7 -2.5 58.0 93 93 A K + 0 0 115 -28,-2.8 27,-1.4 1,-0.2 2,-0.3 0.574 66.7 36.4-108.0 -13.7 63.6 -3.2 61.7 94 94 A R E -cd 66 120A 83 -29,-1.3 -27,-1.2 25,-0.2 2,-0.4 -0.995 57.8-170.6-145.7 138.7 62.9 0.3 63.0 95 95 A V E -cd 67 121A 0 25,-2.3 27,-2.2 -2,-0.3 2,-0.5 -0.984 6.1-162.5-128.9 136.1 60.8 3.2 62.0 96 96 A F E -cd 68 122A 3 -29,-2.4 -27,-2.4 -2,-0.4 2,-0.4 -0.968 13.1-166.4-120.1 115.0 60.7 6.8 63.4 97 97 A V E -c 69 0A 0 25,-1.5 28,-0.8 -2,-0.5 27,-0.2 -0.814 17.2-160.6-104.0 142.4 57.7 8.9 62.5 98 98 A A S S- 0 0 1 -29,-1.3 2,-0.3 -2,-0.4 -28,-0.1 0.812 75.6 -15.6 -87.5 -32.4 57.4 12.6 63.0 99 99 A M - 0 0 15 -30,-0.2 -27,-2.5 24,-0.1 -1,-0.3 -0.960 69.0-103.2-169.5 150.6 53.6 12.7 62.8 100 100 A R - 0 0 113 -2,-0.3 7,-0.1 -29,-0.2 23,-0.0 -0.324 57.3 -73.8 -77.4 163.1 50.6 10.7 61.7 101 101 A D - 0 0 38 5,-0.2 6,-0.2 1,-0.1 -1,-0.2 -0.219 36.5-131.0 -55.4 139.3 48.6 11.3 58.5 102 102 A P S S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.829 85.6 90.9 -64.6 -27.0 46.5 14.4 58.7 103 103 A N S >> S- 0 0 54 1,-0.1 4,-2.1 2,-0.1 3,-0.9 -0.474 73.9-143.4 -70.3 135.9 43.5 12.4 57.3 104 104 A P T 34 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.897 99.0 52.0 -66.2 -42.3 41.4 10.9 60.1 105 105 A L T 34 S+ 0 0 141 1,-0.2 -2,-0.1 3,-0.0 -4,-0.0 0.417 120.1 35.3 -76.7 3.4 40.6 7.7 58.2 106 106 A V T X> S+ 0 0 25 -3,-0.9 3,-2.2 -5,-0.1 4,-0.8 0.608 83.9 115.4-126.2 -25.7 44.3 7.1 57.5 107 107 A A T 3< S+ 0 0 39 -4,-2.1 -7,-0.1 1,-0.3 0, 0.0 -0.136 93.0 1.3 -50.6 139.6 46.2 8.4 60.6 108 108 A G T 3> S+ 0 0 8 1,-0.1 4,-2.1 3,-0.0 -1,-0.3 0.381 103.7 107.9 63.4 -7.5 48.0 5.6 62.5 109 109 A R H <> S+ 0 0 90 -3,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.948 82.7 39.9 -66.6 -48.4 46.8 3.2 59.8 110 110 A G H X S+ 0 0 0 -4,-0.8 4,-1.7 2,-0.2 5,-0.2 0.904 111.0 61.3 -66.1 -38.2 50.3 2.8 58.3 111 111 A I H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.934 110.6 38.0 -51.3 -53.6 51.8 2.9 61.8 112 112 A S H X S+ 0 0 51 -4,-2.1 4,-3.6 2,-0.2 -1,-0.2 0.851 108.9 61.6 -68.3 -37.4 50.0 -0.3 62.8 113 113 A M H < S+ 0 0 36 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.828 112.9 40.2 -58.2 -30.8 50.3 -1.9 59.4 114 114 A M H ><>S+ 0 0 0 -4,-1.7 3,-3.5 -3,-0.3 5,-1.4 0.934 112.0 51.6 -82.3 -54.7 54.0 -1.7 60.1 115 115 A K H ><5S+ 0 0 108 -4,-2.9 3,-2.4 1,-0.3 4,-0.2 0.930 101.8 67.8 -45.1 -46.8 54.0 -2.6 63.8 116 116 A E T 3<5S+ 0 0 159 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.616 96.0 52.6 -48.6 -19.7 52.0 -5.6 62.6 117 117 A A T < 5S- 0 0 50 -3,-3.5 -1,-0.3 -5,-0.1 -2,-0.2 0.014 129.6 -91.6-109.7 29.1 55.1 -6.9 60.8 118 118 A G T < 5S+ 0 0 73 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.548 79.3 146.3 77.6 8.1 57.2 -6.8 63.9 119 119 A I < - 0 0 13 -5,-1.4 2,-0.5 -4,-0.2 -1,-0.3 -0.609 47.2-133.7 -79.7 134.8 58.5 -3.3 63.2 120 120 A E E -d 94 0A 91 -27,-1.4 -25,-2.3 -2,-0.3 2,-0.5 -0.788 26.8-162.6 -86.8 126.3 59.2 -1.2 66.3 121 121 A V E -d 95 0A 16 -2,-0.5 2,-0.2 -27,-0.2 -25,-0.2 -0.951 14.0-178.5-121.9 126.8 57.7 2.3 65.7 122 122 A R E -d 96 0A 124 -27,-2.2 -25,-1.5 -2,-0.5 2,-0.3 -0.550 13.8-168.8-104.2 175.6 58.4 5.5 67.6 123 123 A E + 0 0 66 -2,-0.2 -25,-0.2 -27,-0.2 3,-0.1 -0.952 50.2 47.9-157.6 173.9 56.7 8.8 66.9 124 124 A G > + 0 0 37 -2,-0.3 3,-2.8 1,-0.2 4,-0.2 0.203 58.6 153.4 76.1 -17.4 56.6 12.6 67.5 125 125 A I T 3 S- 0 0 28 -28,-0.8 -1,-0.2 1,-0.3 5,-0.1 -0.265 85.9 -12.2 -51.2 116.8 60.4 13.1 66.8 126 126 A L T 3> S+ 0 0 25 -3,-0.1 4,-2.3 3,-0.1 -1,-0.3 0.844 88.4 163.8 55.0 38.3 60.5 16.7 65.7 127 127 A A H <> + 0 0 29 -3,-2.8 4,-0.8 1,-0.2 -2,-0.1 0.881 69.4 49.0 -50.9 -48.4 56.7 16.7 65.4 128 128 A D H >> S+ 0 0 116 -4,-0.2 4,-2.5 2,-0.2 3,-1.6 0.961 110.3 48.6 -58.7 -56.2 56.5 20.5 65.3 129 129 A Q H 3> S+ 0 0 76 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.887 111.4 51.6 -51.0 -42.3 59.2 20.9 62.6 130 130 A A H 3X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 -1,-0.3 0.696 110.8 50.9 -67.4 -20.6 57.4 18.3 60.6 131 131 A E H X< S+ 0 0 40 -3,-1.6 3,-0.6 -4,-0.8 -2,-0.2 0.969 107.9 47.9 -78.4 -63.6 54.2 20.3 61.1 132 132 A R H >< S+ 0 0 129 -4,-2.5 3,-2.1 1,-0.2 4,-0.3 0.863 103.3 66.6 -40.9 -51.2 55.5 23.7 60.0 133 133 A L H 3< S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.875 117.5 20.2 -40.5 -61.5 57.0 22.0 56.8 134 134 A N T S+ 0 0 44 -3,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.818 70.6 42.3 -35.0 -61.2 51.8 23.6 57.2 136 136 A K H > S+ 0 0 39 -4,-0.3 4,-2.4 -3,-0.2 3,-0.5 0.984 115.7 49.3 -54.1 -63.5 49.4 24.8 54.5 137 137 A F H > S+ 0 0 19 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.838 108.5 54.5 -43.2 -45.5 48.8 21.3 53.2 138 138 A L H X S+ 0 0 4 -4,-2.9 4,-2.4 -7,-0.2 -1,-0.3 0.945 109.0 47.5 -56.7 -50.7 48.1 20.0 56.7 139 139 A H H X>S+ 0 0 40 -4,-2.1 4,-3.9 -3,-0.5 5,-0.6 0.963 112.3 49.6 -52.9 -58.2 45.4 22.7 57.2 140 140 A F H X5S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.3 -2,-0.2 0.905 114.5 44.5 -47.3 -53.1 43.8 21.9 53.8 141 141 A M H <5S+ 0 0 64 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.791 120.0 41.1 -65.6 -32.7 43.8 18.1 54.6 142 142 A R H <5S+ 0 0 123 -4,-2.4 -2,-0.2 -3,-0.3 -1,-0.2 0.874 129.1 26.3 -85.3 -37.8 42.4 18.6 58.1 143 143 A T H <5S- 0 0 72 -4,-3.9 -3,-0.2 2,-0.3 -2,-0.2 0.657 93.4-129.3 -99.5 -20.5 39.9 21.4 57.4 144 144 A G S < - f 0 313B 1 4,-3.0 3,-1.9 -2,-0.3 4,-0.2 -0.349 58.4 -90.0 -70.7 162.3 51.6 53.5 56.0 156 156 A L T 3 S+ 0 0 3 157,-1.8 160,-0.2 159,-1.1 -1,-0.1 0.768 130.2 58.7 -43.1 -34.2 52.5 53.3 59.7 157 157 A D T 3 S- 0 0 0 158,-0.6 529,-0.4 156,-0.1 -1,-0.3 -0.022 122.9-103.4 -90.7 31.5 48.9 54.7 60.4 158 158 A G S < S+ 0 0 0 -3,-1.9 167,-2.0 1,-0.2 2,-0.3 0.523 74.1 140.5 63.8 10.1 47.3 51.7 58.6 159 159 A K B -M 324 0C 0 165,-0.2 -4,-3.0 -4,-0.2 165,-0.3 -0.689 36.2-166.3 -86.3 136.9 46.3 53.6 55.4 160 160 A I S S- 0 0 41 163,-2.8 2,-0.3 -2,-0.3 164,-0.1 0.277 74.4 -10.0-105.2 10.0 46.7 51.7 52.2 161 161 A A S S- 0 0 8 162,-0.5 -1,-0.3 156,-0.1 6,-0.2 -0.880 82.0 -88.8 171.6 166.7 46.4 54.8 49.9 162 162 A T > - 0 0 1 4,-1.8 3,-1.9 -2,-0.3 530,-0.2 -0.096 53.1 -84.1 -83.0-173.0 45.4 58.5 50.3 163 163 A S T 3 S+ 0 0 47 1,-0.3 529,-0.1 528,-0.2 -1,-0.1 0.701 133.7 49.4 -65.8 -17.1 42.0 60.1 50.1 164 164 A T T 3 S- 0 0 81 528,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.228 120.1-107.8-105.8 11.1 42.6 60.1 46.4 165 165 A G < + 0 0 47 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.377 67.0 151.9 80.3 -8.3 43.6 56.5 46.1 166 166 A D + 0 0 17 526,-0.4 -4,-1.8 1,-0.2 -1,-0.3 -0.402 8.2 161.7 -58.8 117.0 47.2 57.5 45.5 167 167 A S > + 0 0 45 -2,-0.3 3,-0.9 -6,-0.2 2,-0.4 0.019 18.0 140.9-128.5 28.7 49.3 54.6 46.8 168 168 A K T 3 S+ 0 0 107 1,-0.2 -2,-0.0 2,-0.1 -7,-0.0 -0.605 73.0 6.0 -76.3 129.2 52.6 55.3 45.1 169 169 A W T 3 S+ 0 0 151 -2,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.790 82.5 127.8 73.0 33.9 55.6 54.6 47.3 170 170 A I S < S+ 0 0 10 -3,-0.9 2,-0.5 1,-0.2 -16,-0.1 0.824 72.7 41.2 -86.9 -34.1 53.9 53.1 50.3 171 171 A T S S- 0 0 35 -18,-0.1 -1,-0.2 142,-0.1 -2,-0.2 -0.963 89.6-120.2-117.7 133.2 56.1 49.9 50.4 172 172 A S >> - 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0 0 1 22,-1.2 3,-1.7 -2,-1.0 24,-0.3 -0.792 16.6-168.5-118.4 87.0 34.6 40.2 39.9 221 221 A T T 3 S+ 0 0 40 -2,-0.6 23,-2.7 1,-0.3 25,-0.3 0.835 85.8 17.2 -38.5 -60.8 30.9 40.3 40.9 222 222 A V T 3 S- 0 0 61 21,-0.2 -1,-0.3 24,-0.1 26,-0.1 -0.095 107.9-105.2-111.6 35.9 29.4 41.7 37.7 223 223 A L S < S+ 0 0 4 -3,-1.7 25,-0.1 1,-0.1 -2,-0.1 0.828 71.2 144.4 45.0 41.4 32.3 41.0 35.2 224 224 A S + 0 0 49 2,-0.1 -1,-0.1 23,-0.0 3,-0.1 0.412 25.7 128.9 -87.4 4.0 33.2 44.7 35.1 225 225 A I S S- 0 0 2 1,-0.1 2,-0.6 -5,-0.1 -31,-0.1 -0.150 70.4-102.8 -54.9 152.5 36.9 43.8 34.9 226 226 A P > - 0 0 39 0, 0.0 3,-2.7 0, 0.0 6,-0.1 -0.748 19.3-143.8 -85.9 120.8 38.7 45.5 32.0 227 227 A E T 3 S+ 0 0 70 -2,-0.6 -2,-0.1 1,-0.3 -3,-0.0 0.627 100.0 56.9 -56.8 -12.9 39.3 43.2 29.0 228 228 A D T 3 S+ 0 0 125 5,-0.0 -1,-0.3 3,-0.0 5,-0.1 0.474 77.4 123.0 -99.1 -1.8 42.6 44.8 28.4 229 229 A A S X> S- 0 0 2 -3,-2.7 3,-2.8 1,-0.1 4,-1.1 -0.309 71.0-122.8 -61.3 141.4 44.1 44.2 31.9 230 230 A K H >> S+ 0 0 107 1,-0.3 4,-2.9 -30,-0.3 3,-0.6 0.859 112.4 66.4 -51.1 -40.4 47.4 42.3 32.0 231 231 A V H 34 S+ 0 0 0 -30,-0.4 -1,-0.3 1,-0.3 -15,-0.1 0.634 111.3 36.4 -58.4 -12.2 45.7 39.7 34.2 232 232 A I H <4 S+ 0 0 5 -3,-2.8 -1,-0.3 -6,-0.1 -2,-0.2 0.552 128.6 28.9-115.8 -16.1 43.6 38.9 31.1 233 233 A C H << S+ 0 0 54 -4,-1.1 -3,-0.2 -3,-0.6 -2,-0.2 0.640 97.0 74.3-123.6 -16.8 46.2 39.4 28.3 234 234 A D S < S- 0 0 42 -4,-2.9 -3,-0.1 -5,-0.2 -4,-0.1 0.723 71.2-153.9 -74.0 -19.1 49.7 38.6 29.4 235 235 A Q + 0 0 122 -5,-0.4 -1,-0.1 2,-0.2 -4,-0.1 0.564 57.1 124.6 59.2 8.0 49.2 34.8 29.4 236 236 A I S S+ 0 0 94 -6,-0.2 -1,-0.1 1,-0.1 -5,-0.1 0.850 78.6 4.4 -66.7 -32.8 52.0 34.7 32.0 237 237 A A S S- 0 0 10 -35,-0.1 -2,-0.2 -6,-0.1 -22,-0.1 -0.925 90.2 -81.7-145.8 168.4 49.8 32.8 34.5 238 238 A P - 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0 0 36 -2,-0.2 -5,-0.5 1,-0.1 -4,-0.4 0.220 60.2-122.1 -30.0 135.1 88.4 61.7 101.6 1130 49 D H >> - 0 0 74 -7,-0.1 4,-1.5 -3,-0.1 3,-0.5 -0.498 28.2-106.5 -81.8 153.0 86.8 58.2 101.7 1131 50 D A H >> S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.904 118.3 53.2 -44.9 -57.0 84.0 57.4 99.2 1132 51 D E H 3> S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.889 104.4 58.0 -48.5 -44.9 81.2 57.6 101.7 1133 52 D V H <> S+ 0 0 53 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.901 106.6 45.7 -54.4 -48.0 82.4 61.1 102.8 1134 53 D H H < S+ 0 0 106 -4,-1.8 3,-2.3 -3,-0.3 -2,-0.2 0.989 108.0 52.8 -68.3 -59.9 78.3 65.5 101.6 1138 57 D M H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.644 104.9 62.0 -50.7 -12.0 76.9 66.0 98.1 1139 58 D A H >< S+ 0 0 2 -4,-0.6 3,-1.3 -5,-0.2 -1,-0.3 0.807 79.3 173.9 -86.7 -28.8 73.7 64.6 99.6 1140 59 D G G X< - 0 0 48 -3,-2.3 3,-1.8 -4,-0.8 4,-0.3 -0.291 68.4 -9.5 59.4-141.4 73.2 67.4 102.1 1141 60 D A G > S+ 0 0 88 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.810 125.0 76.3 -57.9 -31.8 69.9 67.3 104.1 1142 61 D H G < S+ 0 0 33 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.741 76.9 76.4 -54.0 -23.7 68.7 64.5 101.8 1143 62 D A G X S+ 0 0 3 -3,-1.8 3,-3.1 -7,-0.2 -1,-0.3 0.913 72.4 95.0 -52.6 -44.7 70.9 62.2 103.7 1144 63 D E T < S+ 0 0 108 -3,-1.9 28,-0.2 1,-0.3 29,-0.1 -0.285 105.1 0.7 -53.1 110.0 68.3 62.2 106.5 1145 64 D G T 3 S+ 0 0 20 1,-0.2 -31,-0.3 -2,-0.2 -1,-0.3 0.570 107.7 127.3 84.9 9.2 66.1 59.2 105.9 1146 65 D A < - 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