==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-FEB-13 3ZPC . COMPND 2 MOLECULE: RIBOFLAVIN BIOSYNTHESIS PROTEIN RIBD; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR A.DAWSON,P.TRUMPER,G.CHRYSOSTOMOU,W.N.HUNTER . 713 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 10.8 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 55 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 0 2 2 3 3 6 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 5 5 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 PARALLEL BRIDGES PER LADDER . 3 4 0 2 3 1 0 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 . 4 0 0 2 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 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 2 A S > 0 0 99 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 7.9 -6.8 -40.2 -3.4 2 3 A E H > + 0 0 156 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.944 360.0 47.0 -63.2 -51.2 -5.7 -37.1 -5.3 3 4 A L H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 113.5 48.7 -51.6 -46.1 -8.8 -35.5 -4.0 4 5 A K H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 110.2 50.4 -63.6 -43.1 -7.8 -37.0 -0.5 5 6 A Q H X S+ 0 0 85 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.920 112.1 48.5 -57.5 -46.0 -4.3 -35.6 -0.9 6 7 A D H X S+ 0 0 14 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.892 110.3 49.9 -61.1 -43.7 -5.7 -32.2 -1.8 7 8 A Q H X S+ 0 0 68 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.887 107.9 55.3 -66.1 -38.0 -8.1 -32.2 1.2 8 9 A Y H X S+ 0 0 124 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.978 112.7 40.9 -55.3 -56.6 -5.3 -33.1 3.5 9 10 A W H X S+ 0 0 21 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.872 113.7 52.4 -63.3 -39.6 -3.2 -30.1 2.4 10 11 A M H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.904 104.6 56.7 -62.0 -40.8 -6.2 -27.7 2.3 11 12 A Q H X S+ 0 0 86 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.861 105.6 52.3 -61.2 -33.6 -7.0 -28.8 5.9 12 13 A Q H X S+ 0 0 56 -4,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.916 109.5 48.5 -61.0 -46.2 -3.5 -27.7 6.8 13 14 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.880 108.2 54.2 -64.8 -37.7 -4.2 -24.4 5.1 14 15 A I H < S+ 0 0 6 -4,-2.8 4,-0.3 2,-0.2 -1,-0.2 0.853 106.7 53.0 -65.0 -34.2 -7.5 -24.1 7.0 15 16 A E H >< S+ 0 0 101 -4,-1.7 3,-1.3 -5,-0.2 -2,-0.2 0.921 107.4 49.4 -68.0 -45.2 -5.5 -24.6 10.3 16 17 A L H >< S+ 0 0 9 -4,-2.1 3,-2.4 1,-0.2 4,-0.2 0.927 104.4 61.2 -54.8 -43.9 -3.1 -21.8 9.5 17 18 A A T 3< S+ 0 0 1 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.599 95.4 61.6 -61.3 -14.6 -6.1 -19.6 8.7 18 19 A K T X S+ 0 0 92 -3,-1.3 3,-0.6 -4,-0.3 -1,-0.3 0.370 84.7 83.0 -87.3 3.6 -7.3 -20.1 12.4 19 20 A R T < S+ 0 0 167 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.658 97.1 31.6 -88.7 -17.1 -4.2 -18.4 13.6 20 21 A G T >> S+ 0 0 4 -3,-0.4 4,-1.4 -4,-0.2 3,-0.9 -0.115 72.9 134.0-126.6 37.0 -5.2 -14.7 13.3 21 22 A L T <4 S+ 0 0 44 -3,-0.6 4,-0.3 1,-0.3 -2,-0.1 0.794 78.6 42.0 -57.5 -32.1 -8.9 -14.9 13.9 22 23 A Y T 34 S+ 0 0 38 1,-0.1 199,-2.3 -3,-0.1 -1,-0.3 0.655 118.7 42.1 -89.3 -16.9 -8.8 -12.0 16.3 23 24 A S T <4 S+ 0 0 7 -3,-0.9 26,-0.6 197,-0.2 -2,-0.2 0.512 92.8 76.3-112.3 -6.6 -6.5 -9.7 14.3 24 25 A T >< + 0 0 3 -4,-1.4 3,-1.5 24,-0.2 25,-0.4 0.830 64.9 151.3 -81.6 -34.4 -7.5 -9.9 10.7 25 26 A K T 3 + 0 0 33 1,-0.4 24,-0.3 -4,-0.3 258,-0.1 -0.070 66.0 19.9 -53.1 143.2 -10.6 -7.8 10.4 26 27 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.999 123.2 68.6 -78.7 -10.2 -11.8 -6.2 8.1 27 28 A N S < S- 0 0 43 -3,-1.5 22,-0.1 -4,-0.1 114,-0.1 -0.294 92.1-102.5 -64.8 156.0 -9.5 -8.5 6.1 28 29 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.328 26.7-107.7 -80.1 159.4 -10.4 -12.2 5.8 29 30 A N + 0 0 18 108,-0.3 2,-0.4 -2,-0.1 -12,-0.1 -0.772 49.0 175.6 -79.9 124.7 -8.8 -15.1 7.6 30 31 A V - 0 0 10 -2,-0.5 16,-1.6 16,-0.3 2,-0.3 -0.999 17.2-167.1-141.7 133.5 -6.7 -16.9 5.0 31 32 A G E -A 45 0A 0 -2,-0.4 43,-2.4 14,-0.2 2,-0.3 -0.931 7.3-178.6-119.6 149.9 -4.3 -19.9 5.1 32 33 A C E -AB 44 73A 0 12,-2.4 12,-1.8 -2,-0.3 2,-0.3 -0.981 7.0-177.4-149.6 130.4 -1.9 -21.1 2.5 33 34 A V E -AB 43 72A 0 39,-2.1 39,-3.5 -2,-0.3 2,-0.5 -0.932 16.8-145.3-120.8 153.0 0.5 -24.0 2.2 34 35 A I E -AB 42 71A 0 8,-2.7 7,-3.4 -2,-0.3 8,-1.2 -0.984 16.4-166.4-122.1 123.9 2.9 -24.7 -0.7 35 36 A V E +AB 40 70A 8 35,-3.2 35,-3.2 -2,-0.5 2,-0.4 -0.937 10.0 177.9-120.3 124.8 3.5 -28.4 -1.5 36 37 A K E > S-A 39 0A 56 3,-2.9 3,-1.6 -2,-0.5 33,-0.1 -0.981 78.4 -12.4-131.6 120.6 6.3 -29.8 -3.7 37 38 A D T 3 S- 0 0 130 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.867 128.4 -58.9 56.7 38.4 6.8 -33.5 -4.3 38 39 A D T 3 S+ 0 0 98 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.620 113.4 123.8 66.2 12.8 4.4 -34.0 -1.3 39 40 A Q E < -A 36 0A 121 -3,-1.6 -3,-2.9 2,-0.0 2,-0.6 -0.905 67.6-124.9-102.6 133.5 6.7 -32.0 0.9 40 41 A L E +A 35 0A 67 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.661 39.6 165.5 -69.8 116.7 5.4 -29.0 2.7 41 42 A I E + 0 0 42 -7,-3.4 2,-0.3 -2,-0.6 -6,-0.2 0.535 57.9 24.0-114.3 -7.4 7.9 -26.2 1.6 42 43 A G E -A 34 0A 0 -8,-1.2 -8,-2.7 19,-0.1 -1,-0.3 -0.972 58.8-173.2-162.4 145.1 6.1 -23.0 2.6 43 44 A E E +A 33 0A 68 14,-0.4 2,-0.3 -2,-0.3 -10,-0.2 -0.979 12.9 153.5-143.2 143.0 3.5 -22.0 5.1 44 45 A G E -A 32 0A 6 -12,-1.8 -12,-2.4 -2,-0.3 2,-0.3 -0.951 19.2-170.3-169.7 150.3 1.6 -18.8 5.8 45 46 A F E -A 31 0A 56 -2,-0.3 -14,-0.2 -14,-0.2 12,-0.1 -0.912 39.5-103.9-131.1 165.0 -1.5 -17.1 7.2 46 47 A H - 0 0 5 -16,-1.6 -16,-0.3 -2,-0.3 7,-0.1 -0.815 35.2-175.0 -87.9 118.6 -2.7 -13.5 7.0 47 48 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.872 58.0 -11.7 -83.3 -35.1 -2.0 -11.9 10.4 48 49 A K S > S- 0 0 114 4,-0.3 3,-2.3 -24,-0.1 -24,-0.2 -0.964 78.1 -84.2-168.6 138.3 -3.5 -8.5 10.2 49 50 A A T 3 S+ 0 0 10 -26,-0.6 -24,-0.0 -25,-0.4 4,-0.0 -0.299 116.8 27.5 -52.9 131.5 -4.9 -6.0 7.6 50 51 A G T 3 S+ 0 0 18 1,-0.5 -1,-0.3 34,-0.0 3,-0.1 0.093 103.5 99.5 101.7 -18.8 -2.1 -4.0 6.0 51 52 A Q S < S- 0 0 98 -3,-2.3 -1,-0.5 1,-0.2 32,-0.1 -0.533 88.9 -74.1 -95.0 162.3 0.3 -6.9 6.6 52 53 A P - 0 0 25 0, 0.0 -4,-0.3 0, 0.0 -1,-0.2 -0.102 52.3-104.0 -61.4 161.0 1.2 -9.3 3.8 53 54 A H >> - 0 0 31 -7,-0.1 4,-1.9 1,-0.1 3,-0.9 -0.398 29.9-106.2 -80.9 156.3 -1.2 -12.0 2.7 54 55 A A H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.883 120.7 57.8 -44.4 -44.4 -0.9 -15.7 3.6 55 56 A E H 3> S+ 0 0 6 2,-0.2 4,-3.3 1,-0.2 -1,-0.3 0.858 103.8 50.0 -56.8 -42.6 0.3 -16.4 0.1 56 57 A V H <> S+ 0 0 35 -3,-0.9 4,-3.3 2,-0.2 -1,-0.2 0.954 113.1 46.6 -65.4 -49.7 3.3 -14.0 0.3 57 58 A F H X S+ 0 0 71 -4,-1.9 4,-1.7 2,-0.2 -14,-0.4 0.893 114.6 47.3 -56.6 -44.0 4.4 -15.6 3.6 58 59 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 3,-0.2 0.960 114.2 46.9 -66.5 -48.5 4.0 -19.0 2.1 59 60 A L H X S+ 0 0 20 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.884 107.5 57.1 -57.5 -43.1 5.8 -18.1 -1.0 60 61 A R H < S+ 0 0 166 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 110.6 44.2 -56.9 -41.5 8.6 -16.4 0.9 61 62 A Q H < S+ 0 0 121 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.915 112.4 50.8 -67.9 -45.8 9.3 -19.6 2.8 62 63 A A H >< S+ 0 0 4 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.887 85.3 171.6 -60.7 -39.4 9.1 -21.8 -0.3 63 64 A G G >< - 0 0 37 -4,-2.6 3,-1.6 1,-0.2 4,-0.2 -0.360 64.9 -11.6 64.3-141.9 11.6 -19.6 -2.2 64 65 A E G > S+ 0 0 166 1,-0.3 3,-1.7 2,-0.1 -1,-0.2 0.790 128.5 72.0 -56.7 -31.4 12.9 -20.9 -5.6 65 66 A Q G < S+ 0 0 111 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.640 73.8 82.1 -66.3 -15.6 11.4 -24.3 -4.8 66 67 A A G X + 0 0 0 -3,-1.6 3,-2.7 -7,-0.2 31,-0.3 0.774 65.8 108.2 -61.3 -25.6 7.8 -22.9 -5.3 67 68 A Q T < S+ 0 0 106 -3,-1.7 29,-0.3 1,-0.3 28,-0.2 -0.356 94.6 4.8 -53.5 122.4 8.5 -23.5 -9.0 68 69 A G T 3 S+ 0 0 35 27,-2.7 -1,-0.3 1,-0.2 28,-0.2 0.389 107.0 129.5 78.6 -4.0 6.3 -26.4 -10.1 69 70 A A < - 0 0 0 -3,-2.7 28,-2.3 -33,-0.1 29,-1.6 -0.247 60.5-118.4 -78.1 168.3 4.8 -26.6 -6.6 70 71 A T E -Bc 35 98A 23 -35,-3.2 -35,-3.2 27,-0.2 2,-0.5 -0.955 22.1-151.9-109.4 123.5 1.1 -26.7 -5.7 71 72 A A E -Bc 34 99A 0 27,-2.9 29,-3.3 -2,-0.5 2,-0.5 -0.811 4.7-161.4 -92.8 129.4 -0.3 -23.8 -3.6 72 73 A Y E +Bc 33 100A 10 -39,-3.5 -39,-2.1 -2,-0.5 2,-0.4 -0.966 18.1 171.9-109.9 125.6 -3.2 -24.6 -1.3 73 74 A V E -Bc 32 101A 0 27,-2.8 29,-1.8 -2,-0.5 -41,-0.2 -1.000 34.5-142.5-144.2 137.5 -5.1 -21.5 -0.3 74 75 A T E S+ 0 0 5 -43,-2.4 29,-1.9 -2,-0.4 2,-0.3 0.591 88.6 34.7 -81.2 -11.7 -8.3 -21.1 1.6 75 76 A L E S- c 0 103A 7 -44,-0.3 3,-0.1 27,-0.2 30,-0.1 -0.995 101.5 -86.1-140.4 143.5 -9.5 -18.1 -0.4 76 77 A E - 0 0 4 27,-2.3 35,-0.1 -2,-0.3 12,-0.1 -0.237 56.5-104.6 -42.9 124.9 -9.0 -17.1 -4.0 77 78 A P - 0 0 0 0, 0.0 38,-0.1 0, 0.0 37,-0.1 -0.318 45.1-103.9 -56.5 140.0 -5.7 -15.3 -4.3 78 79 A C - 0 0 7 7,-0.1 10,-2.6 36,-0.1 11,-0.4 -0.240 25.8-162.9 -73.1 158.1 -6.3 -11.5 -4.7 79 80 A A + 0 0 20 30,-0.3 2,-0.3 7,-0.2 -1,-0.1 0.323 60.0 72.4-120.6 -1.1 -6.0 -9.7 -8.0 80 81 A H S S- 0 0 44 5,-0.2 2,-0.7 4,-0.0 7,-0.2 -0.816 79.5-111.7-124.4 157.5 -5.7 -6.0 -7.0 81 82 A Y + 0 0 176 -2,-0.3 2,-0.1 4,-0.1 -2,-0.0 -0.845 56.5 146.9 -83.4 113.5 -3.3 -3.6 -5.4 82 83 A G S S- 0 0 47 2,-3.0 -1,-0.1 -2,-0.7 0, 0.0 0.167 80.3 -33.1-115.6-123.2 -5.0 -2.8 -2.1 83 84 A R S S+ 0 0 184 2,-0.1 -2,-0.1 -32,-0.1 -34,-0.0 0.674 142.2 21.6 -71.0 -14.8 -3.0 -2.2 1.0 84 85 A T S S- 0 0 24 -4,-0.2 -2,-3.0 1,-0.1 3,-0.1 -0.893 100.2 -78.2-143.8 169.1 -0.6 -4.7 -0.6 85 86 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.121 60.2 -82.1 -67.0 167.0 0.3 -6.1 -4.1 86 87 A P > - 0 0 5 0, 0.0 4,-0.8 0, 0.0 -7,-0.2 -0.569 29.5-151.8 -78.3 133.9 -1.9 -8.8 -5.8 87 88 A C H > S+ 0 0 1 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.762 93.0 62.8 -74.1 -31.1 -1.1 -12.4 -4.7 88 89 A A H > S+ 0 0 0 -10,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.924 103.5 51.1 -59.5 -41.9 -2.2 -14.0 -8.0 89 90 A E H > S+ 0 0 84 -11,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.876 109.3 51.3 -59.0 -37.1 0.6 -12.1 -9.6 90 91 A A H X S+ 0 0 33 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.918 108.6 49.2 -72.3 -41.4 3.0 -13.4 -7.0 91 92 A L H X>S+ 0 0 0 -4,-2.7 5,-1.4 1,-0.2 4,-0.8 0.919 112.2 49.6 -60.4 -43.6 1.9 -17.0 -7.6 92 93 A V H ><5S+ 0 0 48 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.904 111.3 49.4 -59.3 -42.6 2.5 -16.4 -11.3 93 94 A K H 3<5S+ 0 0 179 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 108.6 51.6 -68.2 -37.3 5.9 -14.9 -10.6 94 95 A A H 3<5S- 0 0 27 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.610 107.1-132.1 -74.7 -11.8 6.9 -17.9 -8.4 95 96 A Q T <<5 - 0 0 116 -4,-0.8 -27,-2.7 -3,-0.6 -3,-0.2 0.871 34.8-179.0 62.7 38.8 5.9 -20.2 -11.3 96 97 A V < - 0 0 5 -5,-1.4 -26,-0.2 -29,-0.3 -29,-0.1 -0.314 26.6-139.6 -57.0 150.9 3.8 -22.6 -9.2 97 98 A K S S+ 0 0 118 -28,-2.3 27,-2.1 -31,-0.3 2,-0.3 0.816 77.5 10.6 -81.0 -34.6 2.3 -25.4 -11.3 98 99 A K E -cd 70 124A 28 -29,-1.6 -27,-2.9 25,-0.2 2,-0.4 -0.996 53.5-155.4-154.2 144.3 -1.1 -25.4 -9.5 99 100 A V E -cd 71 125A 0 25,-2.9 27,-2.0 -2,-0.3 2,-0.5 -0.990 10.9-163.5-127.8 119.6 -3.3 -23.5 -7.1 100 101 A V E -cd 72 126A 0 -29,-3.3 -27,-2.8 -2,-0.4 2,-0.4 -0.923 13.9-167.6-105.0 128.4 -6.0 -25.3 -5.2 101 102 A V E -cd 73 127A 0 25,-2.9 27,-1.3 -2,-0.5 28,-1.3 -0.940 19.5-164.4-125.5 134.6 -8.5 -22.9 -3.7 102 103 A A E S+ 0 0 0 -29,-1.8 26,-1.1 -2,-0.4 29,-0.2 0.957 76.5 24.1 -79.2 -73.9 -11.2 -23.5 -1.1 103 104 A C E S-c 75 0A 3 -29,-1.9 -27,-2.3 24,-0.1 -1,-0.3 -0.802 73.5-128.2 -99.8 131.0 -13.5 -20.5 -1.4 104 105 A P - 0 0 56 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 -0.321 33.9-118.8 -53.7 151.5 -14.0 -18.2 -4.3 105 106 A D - 0 0 7 1,-0.1 6,-1.7 -28,-0.1 7,-0.2 -0.892 24.0-169.9-104.3 107.7 -13.6 -14.6 -3.1 106 107 A P + 0 0 36 0, 0.0 -1,-0.1 0, 0.0 36,-0.0 0.549 48.5 123.5 -77.3 -6.5 -16.9 -12.7 -3.6 107 108 A N >> - 0 0 23 1,-0.2 3,-3.1 2,-0.1 4,-0.8 -0.408 69.2-134.3 -46.7 118.5 -15.0 -9.4 -2.8 108 109 A P T 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.755 104.6 65.1 -63.0 -19.0 -15.9 -7.5 -6.0 109 110 A L T 34 S+ 0 0 92 -29,-0.0 -30,-0.3 4,-0.0 -2,-0.1 0.689 123.3 14.8 -69.7 -17.6 -12.2 -6.5 -6.2 110 111 A V T X4 S+ 0 0 0 -3,-3.1 3,-2.5 -5,-0.1 -32,-0.0 0.620 75.0 141.5-117.9 -80.2 -11.4 -10.2 -6.7 111 112 A A T 3< S- 0 0 54 -6,-1.7 -33,-0.0 -4,-0.8 0, 0.0 0.843 98.0 -26.7 37.7 66.5 -14.4 -12.4 -7.6 112 113 A G T 3> S+ 0 0 34 -7,-0.2 4,-2.4 1,-0.1 -1,-0.3 0.198 115.2 104.1 89.9 -16.0 -12.8 -14.8 -10.1 113 114 A K H <> S+ 0 0 106 -3,-2.5 4,-1.7 2,-0.2 -2,-0.1 0.771 79.9 49.4 -74.8 -25.0 -10.1 -12.3 -11.2 114 115 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 112.1 48.6 -74.3 -48.8 -7.3 -14.1 -9.2 115 116 A V H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.923 111.8 50.3 -50.4 -48.2 -8.4 -17.4 -10.7 116 117 A Q H X S+ 0 0 92 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.885 106.3 54.0 -63.1 -40.5 -8.3 -15.8 -14.1 117 118 A I H X S+ 0 0 38 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.918 112.5 45.4 -60.1 -42.8 -4.8 -14.3 -13.6 118 119 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 3,-1.2 0.941 110.6 50.7 -65.0 -51.9 -3.6 -17.8 -12.7 119 120 A K H ><5S+ 0 0 108 -4,-2.9 3,-2.3 1,-0.3 -2,-0.2 0.901 106.0 58.7 -51.9 -41.9 -5.4 -19.6 -15.6 120 121 A N H 3<5S+ 0 0 122 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.741 104.3 49.8 -65.7 -24.9 -3.8 -17.0 -18.0 121 122 A A T <<5S- 0 0 52 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.379 122.5-107.7 -88.1 2.0 -0.4 -18.0 -16.9 122 123 A G T < 5S+ 0 0 69 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.697 70.7 146.8 74.4 20.0 -1.2 -21.7 -17.5 123 124 A I < - 0 0 11 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.759 52.3-119.9 -79.5 129.6 -1.3 -22.5 -13.8 124 125 A E E -d 98 0A 85 -27,-2.1 -25,-2.9 -2,-0.4 2,-0.5 -0.562 29.3-160.8 -65.0 133.9 -4.0 -25.2 -13.1 125 126 A V E -d 99 0A 20 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.982 12.5-178.4-119.1 126.3 -6.7 -23.9 -10.7 126 127 A E E -d 100 0A 78 -27,-2.0 -25,-2.9 -2,-0.5 2,-0.3 -0.972 12.0-172.8-114.9 141.5 -9.0 -26.2 -8.7 127 128 A I E +d 101 0A 78 -2,-0.4 -25,-0.2 -27,-0.2 -24,-0.1 -0.949 53.8 46.7-133.4 150.3 -11.6 -24.6 -6.6 128 129 A G > + 0 0 32 -27,-1.3 3,-1.7 -26,-1.1 2,-0.5 0.379 63.0 149.3 104.9 -1.1 -14.1 -25.9 -4.0 129 130 A I T 3 S- 0 0 15 -28,-1.3 -1,-0.3 1,-0.3 5,-0.1 -0.546 85.1 -16.2 -76.5 117.8 -11.7 -28.1 -2.0 130 131 A C T 3> S+ 0 0 19 -2,-0.5 4,-2.5 -3,-0.1 -1,-0.3 0.855 91.3 153.6 52.3 39.0 -12.9 -28.2 1.6 131 132 A E H <> + 0 0 77 -3,-1.7 4,-3.4 -29,-0.2 5,-0.2 0.955 66.0 52.4 -59.9 -51.8 -15.0 -25.1 0.7 132 133 A D H > S+ 0 0 140 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.897 112.8 45.2 -53.1 -43.8 -17.6 -25.8 3.4 133 134 A L H >4 S+ 0 0 97 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.955 115.9 45.9 -64.9 -47.7 -14.9 -26.0 6.1 134 135 A A H >< S+ 0 0 2 -4,-2.5 3,-2.1 1,-0.2 4,-0.4 0.862 102.3 64.4 -63.5 -39.3 -13.0 -22.9 4.9 135 136 A A H >< S+ 0 0 31 -4,-3.4 3,-1.5 1,-0.3 -1,-0.2 0.818 92.0 65.8 -52.5 -32.6 -16.3 -20.9 4.6 136 137 A K G X< S+ 0 0 121 -4,-0.9 3,-0.6 -3,-0.8 -1,-0.3 0.694 91.4 65.5 -62.7 -19.0 -16.6 -21.2 8.4 137 138 A L G < S+ 0 0 21 -3,-2.1 -108,-0.3 -4,-0.3 -1,-0.3 0.684 114.0 25.4 -81.5 -16.8 -13.4 -19.1 8.7 138 139 A N G <> + 0 0 12 -3,-1.5 4,-2.4 -4,-0.4 5,-0.4 -0.345 66.9 149.5-141.1 57.3 -15.0 -16.0 7.2 139 140 A Q H <> S+ 0 0 43 -3,-0.6 4,-1.8 1,-0.2 5,-0.2 0.941 82.0 40.1 -59.2 -41.8 -18.8 -16.2 7.8 140 141 A G H > S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.966 115.7 46.3 -71.3 -55.3 -19.0 -12.4 8.0 141 142 A F H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.892 115.6 46.5 -55.2 -43.3 -16.6 -11.4 5.3 142 143 A L H X S+ 0 0 27 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.910 115.6 46.2 -71.4 -39.5 -18.1 -13.8 2.8 143 144 A K H X S+ 0 0 49 -4,-1.8 4,-1.6 -5,-0.4 6,-0.6 0.927 116.4 45.7 -64.1 -46.2 -21.7 -12.9 3.7 144 145 A A H X S+ 0 0 7 -4,-3.6 4,-2.4 1,-0.2 3,-0.2 0.920 113.1 47.5 -63.8 -51.3 -20.8 -9.1 3.5 145 146 A M H < S+ 0 0 40 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.822 119.8 38.6 -59.9 -34.6 -18.9 -9.2 0.3 146 147 A S H < S+ 0 0 77 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.599 135.3 15.9 -98.4 -11.2 -21.6 -11.3 -1.5 147 148 A T H < S- 0 0 89 -4,-1.6 -3,-0.2 -3,-0.2 -2,-0.2 0.503 90.8-121.5-133.3 -15.6 -24.8 -9.7 -0.1 148 149 A G S < S+ 0 0 32 -4,-2.4 131,-0.3 -5,-0.5 130,-0.2 0.585 80.6 108.9 78.7 8.9 -23.8 -6.4 1.5 149 150 A M - 0 0 23 -6,-0.6 -1,-0.3 129,-0.1 -2,-0.2 -0.973 67.2-127.8-118.5 131.4 -25.1 -7.6 4.9 150 151 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 135,-0.2 -0.252 28.4-102.4 -72.0 162.1 -22.9 -8.5 7.8 151 152 A Y E -e 285 0B 24 133,-3.0 135,-2.8 154,-0.1 2,-0.5 -0.800 43.4-155.7 -83.7 129.1 -23.0 -11.8 9.7 152 153 A V E -e 286 0B 0 -2,-0.5 153,-2.3 133,-0.2 154,-2.1 -0.943 13.4-169.2-120.7 117.2 -24.9 -10.9 12.9 153 154 A R E -ef 287 306B 6 133,-3.0 135,-2.5 -2,-0.5 2,-0.6 -0.915 12.3-150.5-105.6 127.8 -24.5 -13.0 16.1 154 155 A L E -ef 288 307B 0 152,-3.1 154,-3.4 -2,-0.5 2,-0.5 -0.883 9.4-154.1-101.3 122.3 -27.0 -12.1 18.9 155 156 A K E + f 0 308B 43 133,-2.7 135,-0.5 -2,-0.6 2,-0.3 -0.866 19.3 169.1 -99.5 130.8 -25.7 -12.7 22.4 156 157 A V E - f 0 309B 14 152,-2.4 154,-2.8 -2,-0.5 2,-0.4 -0.985 15.0-168.5-136.8 147.9 -28.2 -13.5 25.2 157 158 A A E + f 0 310B 29 -2,-0.3 2,-0.3 152,-0.2 154,-0.2 -0.983 23.2 149.4-132.3 138.0 -27.7 -14.7 28.7 158 159 A S E - f 0 311B 0 152,-1.8 154,-2.4 -2,-0.4 6,-0.2 -0.969 44.6 -96.1-160.2 166.3 -30.5 -15.8 30.9 159 160 A S E > - f 0 312B 0 4,-2.2 3,-2.0 -2,-0.3 156,-0.2 -0.314 53.6 -93.3 -76.0 173.6 -31.6 -18.1 33.7 160 161 A L T 3 S+ 0 0 4 154,-2.3 359,-0.2 152,-0.7 155,-0.2 0.853 128.1 55.7 -61.4 -35.4 -33.2 -21.5 32.8 161 162 A D T 3 S- 0 0 2 153,-0.7 -1,-0.3 357,-0.1 519,-0.2 0.191 122.3-105.6 -89.2 20.5 -36.6 -19.9 33.1 162 163 A G S < S+ 0 0 0 -3,-2.0 161,-2.4 1,-0.2 162,-0.4 0.692 74.8 133.2 79.1 26.9 -35.6 -17.3 30.5 163 164 A R E -M 322 0C 8 159,-0.2 -4,-2.2 160,-0.1 -1,-0.2 -0.766 37.0-170.8-116.7 150.7 -35.2 -14.3 32.7 164 165 A T E - 0 0 26 157,-2.4 2,-0.3 1,-0.4 158,-0.1 0.473 69.9 -2.7-123.2 -9.9 -32.4 -11.7 32.8 165 166 A A E S-M 321 0C 0 156,-0.6 156,-2.2 9,-0.0 -1,-0.4 -0.948 79.7 -86.7-166.4 167.9 -33.0 -9.6 35.9 166 167 A M > - 0 0 2 4,-3.3 3,-1.8 -2,-0.3 154,-0.1 -0.354 51.5 -97.4 -74.5 165.9 -35.5 -9.3 38.7 167 168 A A T 3 S+ 0 0 77 518,-0.4 -1,-0.1 1,-0.3 519,-0.1 0.806 128.3 56.9 -56.1 -30.3 -38.6 -7.0 38.2 168 169 A S T 3 S- 0 0 88 518,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.747 122.2-108.8 -64.8 -28.5 -36.6 -4.3 40.1 169 170 A G S < S+ 0 0 37 -3,-1.8 2,-0.2 1,-0.4 -2,-0.1 0.326 70.9 143.4 103.1 -5.7 -33.8 -4.6 37.5 170 171 A E + 0 0 80 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.498 11.5 152.6 -63.8 138.2 -31.3 -6.3 39.9 171 172 A S + 0 0 44 -6,-0.2 3,-0.5 -2,-0.2 -1,-0.1 0.296 6.1 148.2-156.6 10.8 -29.4 -8.8 37.8 172 173 A K + 0 0 167 1,-0.2 -2,-0.0 2,-0.1 -7,-0.0 -0.381 67.7 3.8 -74.9 138.2 -25.9 -9.5 39.1 173 174 A W S S+ 0 0 159 -2,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.946 72.5 134.6 58.7 61.6 -24.4 -13.0 38.7 174 175 A I S S+ 0 0 16 -3,-0.5 2,-0.1 1,-0.3 -2,-0.1 0.837 77.9 30.4 -85.3 -73.6 -26.8 -15.0 36.6 175 176 A T S S- 0 0 21 137,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.487 92.5-126.9 -79.5 157.5 -24.2 -16.4 34.2 176 177 A G > - 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