==== 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 HYDROLASE 27-JUL-04 1WN5 . COMPND 2 MOLECULE: BLASTICIDIN-S DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS TERREUS; . AUTHOR T.KUMASAKA,M.YAMAMOTO,M.FURUICHI,M.NAKASAKO,M.KIMURA,I.YAMAG . 500 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 0 0 0 4 4 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 . 0 4 0 0 8 0 4 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 0 4 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 2 A P 0 0 146 0, 0.0 2,-0.2 0, 0.0 113,-0.2 0.000 360.0 360.0 360.0 -6.0 50.2 33.4 113.6 2 3 A L - 0 0 32 1,-0.1 111,-0.0 111,-0.1 2,-0.0 -0.617 360.0-111.4 -93.8 154.4 48.9 36.3 111.6 3 4 A S > - 0 0 47 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.254 34.9-101.6 -75.7 169.9 50.8 39.5 110.8 4 5 A Q H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.905 124.5 51.7 -59.0 -42.2 49.8 42.8 112.3 5 6 A E H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 108.8 50.1 -62.1 -41.1 48.0 43.8 109.1 6 7 A E H > S+ 0 0 20 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 109.0 50.9 -66.5 -40.2 46.0 40.6 109.0 7 8 A S H X S+ 0 0 43 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.883 107.4 54.9 -64.6 -38.0 44.9 41.0 112.6 8 9 A T H X S+ 0 0 36 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.894 102.8 56.3 -62.3 -40.4 43.7 44.5 111.7 9 10 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.920 106.9 49.0 -57.5 -44.1 41.6 43.1 108.9 10 11 A I H X S+ 0 0 33 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.930 112.6 47.9 -61.7 -44.5 39.8 40.9 111.3 11 12 A E H X S+ 0 0 125 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.902 112.5 48.9 -62.5 -43.3 39.2 43.8 113.7 12 13 A R H X S+ 0 0 104 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.909 113.6 44.9 -64.5 -44.4 38.0 46.0 110.8 13 14 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.909 113.6 50.7 -67.0 -41.7 35.6 43.4 109.4 14 15 A T H X S+ 0 0 42 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.920 110.5 48.9 -61.7 -45.6 34.3 42.6 112.9 15 16 A A H X S+ 0 0 58 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.896 109.7 54.2 -61.7 -39.8 33.6 46.2 113.7 16 17 A T H >< S+ 0 0 17 -4,-2.0 3,-0.5 2,-0.2 4,-0.5 0.960 112.8 39.1 -61.2 -53.9 31.8 46.7 110.4 17 18 A I H >< S+ 0 0 5 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.894 115.7 52.5 -66.9 -37.0 29.3 43.9 110.8 18 19 A N H 3< S+ 0 0 85 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.708 102.3 63.0 -70.1 -18.1 28.8 44.6 114.6 19 20 A S T << S+ 0 0 82 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.608 93.7 70.0 -83.7 -13.7 28.1 48.3 113.8 20 21 A I S < S- 0 0 15 -3,-1.0 3,-0.1 -4,-0.5 422,-0.1 -0.698 95.5 -84.6-107.3 160.2 25.0 47.7 111.7 21 22 A P - 0 0 93 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.311 56.6 -96.5 -57.6 136.8 21.4 46.6 112.6 22 23 A I + 0 0 134 -4,-0.1 2,-0.3 2,-0.0 5,-0.1 -0.346 60.5 169.4 -56.4 130.4 21.1 42.8 112.8 23 24 A S - 0 0 32 3,-0.5 55,-0.1 -3,-0.1 -3,-0.0 -0.992 47.0-143.5-147.7 151.5 19.7 41.9 109.4 24 25 A E S S+ 0 0 179 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.614 108.2 49.3 -86.9 -15.2 19.0 38.7 107.3 25 26 A D S S+ 0 0 62 1,-0.3 21,-2.4 20,-0.1 2,-0.5 0.767 119.4 34.7 -91.1 -32.4 19.9 40.7 104.1 26 27 A Y S S+ 0 0 36 19,-0.2 -3,-0.5 -5,-0.1 -1,-0.3 -0.845 74.0 134.8-126.5 90.8 23.2 42.2 105.5 27 28 A S + 0 0 24 -2,-0.5 51,-2.5 -3,-0.2 2,-0.4 0.413 55.2 52.3-121.0 -2.6 24.8 39.5 107.7 28 29 A V E -A 77 0A 17 49,-0.2 16,-1.9 16,-0.1 2,-0.3 -0.996 57.3-162.3-138.6 143.0 28.5 39.3 106.9 29 30 A A E -AB 76 43A 0 47,-2.6 47,-3.1 -2,-0.4 2,-0.3 -0.878 7.2-167.0-120.9 156.3 31.2 41.9 106.6 30 31 A S E -AB 75 42A 0 12,-2.4 12,-1.2 -2,-0.3 2,-0.4 -0.972 6.2-164.2-141.1 154.7 34.6 41.6 104.9 31 32 A A E -AB 74 41A 0 43,-1.8 43,-1.6 -2,-0.3 2,-0.3 -0.997 7.5-169.5-140.3 138.6 37.8 43.6 104.8 32 33 A A E -AB 73 40A 0 8,-2.4 8,-2.3 -2,-0.4 2,-0.4 -0.950 14.1-139.2-129.9 152.1 40.7 43.4 102.4 33 34 A L E -AB 72 39A 20 39,-2.6 38,-2.8 -2,-0.3 39,-1.1 -0.919 16.3-147.8-111.9 132.4 44.2 44.9 102.3 34 35 A S E > -A 70 0A 2 4,-2.7 3,-2.2 -2,-0.4 36,-0.2 -0.578 29.3-107.9 -95.8 162.5 45.7 46.4 99.2 35 36 A S T 3 S+ 0 0 86 34,-2.5 35,-0.1 1,-0.3 -1,-0.1 0.766 119.1 58.8 -59.1 -25.8 49.4 46.3 98.2 36 37 A D T 3 S- 0 0 85 31,-0.4 -1,-0.3 33,-0.3 34,-0.1 0.382 123.0-103.3 -86.2 4.9 49.6 50.0 99.0 37 38 A G S < S+ 0 0 53 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.422 75.9 134.2 92.8 -1.4 48.4 49.5 102.5 38 39 A R - 0 0 97 29,-0.1 -4,-2.7 -5,-0.0 2,-0.4 -0.525 43.2-144.2 -84.0 150.5 44.8 50.6 102.3 39 40 A I E -B 33 0A 40 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.938 12.3-168.1-116.7 136.5 41.9 48.7 103.8 40 41 A F E -B 32 0A 22 -8,-2.3 -8,-2.4 -2,-0.4 2,-0.2 -0.969 5.8-170.4-125.1 140.1 38.5 48.4 102.3 41 42 A T E +B 31 0A 34 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.675 12.1 153.2-121.7 176.5 35.4 47.0 103.9 42 43 A G E -B 30 0A 0 -12,-1.2 -12,-2.4 -2,-0.2 2,-0.3 -0.944 29.2-125.3 173.9 168.1 31.8 46.0 102.9 43 44 A V E -B 29 0A 0 395,-0.6 -14,-0.2 -2,-0.3 399,-0.2 -0.892 35.3 -97.9-129.1 161.6 28.9 43.8 103.8 44 45 A N - 0 0 13 -16,-1.9 2,-0.4 -2,-0.3 9,-0.2 -0.248 18.3-143.2 -76.3 167.6 27.0 41.3 101.7 45 46 A V - 0 0 0 7,-2.5 2,-0.2 -19,-0.1 -19,-0.2 -0.920 23.0-144.2-130.9 99.8 23.7 41.9 99.9 46 47 A Y + 0 0 77 -21,-2.4 2,-0.3 -2,-0.4 255,-0.1 -0.491 34.6 146.3 -73.0 133.9 21.6 38.8 100.1 47 48 A H >> - 0 0 9 253,-0.4 3,-2.5 4,-0.3 4,-1.8 -0.898 52.6-125.5-165.5 137.4 19.5 37.8 97.1 48 49 A F T 34 S+ 0 0 41 1,-0.3 251,-0.4 -2,-0.3 254,-0.2 0.705 109.0 63.0 -57.4 -22.0 18.4 34.6 95.4 49 50 A T T 34 S- 0 0 0 253,-0.1 -1,-0.3 418,-0.1 251,-0.1 0.439 135.2 -79.3 -83.6 2.3 19.7 35.8 92.1 50 51 A G T <4 - 0 0 1 -3,-2.5 -2,-0.2 250,-0.2 251,-0.1 0.825 54.3-164.2 104.3 42.3 23.2 35.9 93.6 51 52 A G < - 0 0 4 -4,-1.8 -4,-0.3 249,-0.2 -1,-0.1 -0.316 41.2 -89.0 -53.4 140.2 23.5 39.1 95.6 52 53 A P - 0 0 0 0, 0.0 -7,-2.5 0, 0.0 -1,-0.1 -0.161 34.8-124.5 -58.6 143.8 27.2 39.6 96.2 53 54 A C >> - 0 0 17 -9,-0.2 4,-1.7 -3,-0.1 3,-0.7 -0.364 38.4 -97.0 -75.9 166.8 28.9 38.2 99.3 54 55 A A H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -24,-0.2 0.878 124.8 59.0 -54.0 -39.8 30.7 40.7 101.5 55 56 A E H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 104.8 48.5 -58.9 -39.4 34.0 39.8 99.7 56 57 A L H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.863 108.8 52.4 -71.3 -35.3 32.6 40.9 96.3 57 58 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.897 109.6 51.8 -64.9 -38.1 31.3 44.1 97.7 58 59 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.913 106.0 53.6 -64.1 -42.1 34.8 44.7 99.0 59 60 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.880 111.6 45.0 -61.0 -38.1 36.4 44.0 95.6 60 61 A G H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 361,-0.9 0.800 112.5 51.0 -75.1 -30.2 34.1 46.6 94.0 61 62 A T H X S+ 0 0 28 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.900 112.4 46.7 -71.7 -41.8 34.8 49.1 96.8 62 63 A A H ><>S+ 0 0 2 -4,-2.8 5,-2.2 1,-0.2 3,-1.0 0.930 112.3 50.2 -65.1 -45.3 38.5 48.6 96.4 63 64 A A H ><5S+ 0 0 10 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.855 104.2 58.6 -62.0 -35.2 38.2 48.9 92.6 64 65 A A H 3<5S+ 0 0 22 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.743 109.7 44.7 -66.2 -22.6 36.3 52.2 93.0 65 66 A A T <<5S- 0 0 39 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.217 115.1-117.4-103.8 12.2 39.3 53.5 94.9 66 67 A A T < 5 + 0 0 44 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.915 55.3 161.9 51.1 48.1 41.7 52.2 92.3 67 68 A A < - 0 0 4 -5,-2.2 -31,-0.4 1,-0.2 -32,-0.3 0.717 25.2-162.6 -70.4 -22.5 43.3 50.0 95.0 68 69 A G + 0 0 49 -6,-0.2 -1,-0.2 -34,-0.1 2,-0.2 -0.508 54.7 18.0 75.2-142.2 45.0 47.7 92.5 69 70 A N - 0 0 120 -2,-0.2 -34,-2.5 -35,-0.1 2,-0.4 -0.409 69.3-147.5 -68.8 133.7 46.1 44.3 93.8 70 71 A L E -A 34 0A 5 -36,-0.2 -36,-0.3 -2,-0.2 30,-0.1 -0.856 11.2-171.8-101.8 136.2 44.7 43.1 97.0 71 72 A T E + 0 0 54 -38,-2.8 31,-1.4 -2,-0.4 2,-0.3 0.690 64.6 13.6-101.7 -23.3 46.9 40.9 99.2 72 73 A C E +Ac 33 102A 3 -39,-1.1 -39,-2.6 29,-0.2 2,-0.3 -0.994 57.4 179.9-154.6 149.3 44.6 39.6 102.0 73 74 A I E -Ac 32 103A 2 29,-1.6 31,-2.5 -2,-0.3 2,-0.3 -0.980 1.3-176.4-148.4 156.0 40.9 39.3 102.7 74 75 A V E -A 31 0A 3 -43,-1.6 -43,-1.8 -2,-0.3 2,-0.4 -0.987 13.5-146.1-152.1 154.9 38.7 38.0 105.5 75 76 A A E -A 30 0A 3 9,-0.5 9,-2.3 29,-0.4 2,-0.4 -0.984 10.6-167.0-127.2 138.4 35.0 37.7 106.2 76 77 A I E -AD 29 83A 4 -47,-3.1 -47,-2.6 -2,-0.4 7,-0.2 -0.992 14.8-137.4-127.6 128.1 33.3 37.9 109.6 77 78 A G E >> -AD 28 82A 1 5,-2.4 5,-0.7 -2,-0.4 4,-0.7 -0.444 22.5-109.0 -84.4 156.3 29.7 36.9 110.3 78 79 A N T >45S+ 0 0 12 -51,-2.5 3,-1.2 1,-0.2 -1,-0.1 -0.090 95.8 46.4 -71.1 178.7 27.2 38.8 112.4 79 80 A E T 345S- 0 0 134 1,-0.2 -1,-0.2 -62,-0.1 -2,-0.1 0.863 133.3 -66.1 52.8 41.7 26.0 37.6 115.8 80 81 A N T 345S+ 0 0 142 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.797 91.6 143.1 53.4 35.9 29.6 37.0 116.9 81 82 A R T <<5 - 0 0 102 -3,-1.2 -3,-0.1 -4,-0.7 -1,-0.1 0.670 42.0-160.2 -78.3 -15.4 30.1 34.1 114.4 82 83 A G E < +D 77 0A 24 -5,-0.7 -5,-2.4 2,-0.0 -1,-0.2 -0.276 46.2 10.0 73.3-157.5 33.7 35.1 113.8 83 84 A I E -D 76 0A 19 -7,-0.2 2,-0.4 22,-0.0 -7,-0.2 -0.333 61.4-169.6 -62.6 132.8 35.8 34.2 110.8 84 85 A L - 0 0 31 -9,-2.3 -9,-0.5 20,-0.1 167,-0.1 -0.990 24.6-120.7-124.0 130.4 34.0 32.5 107.9 85 86 A S - 0 0 20 -2,-0.4 20,-0.1 165,-0.2 -11,-0.1 -0.420 42.1 -96.1 -67.5 144.5 35.9 30.9 105.0 86 87 A P - 0 0 4 0, 0.0 165,-0.4 0, 0.0 -1,-0.1 -0.327 44.4-113.3 -61.6 143.9 35.0 32.5 101.7 87 88 A C > - 0 0 5 163,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.209 32.6 -95.0 -72.3 169.1 32.4 30.5 99.8 88 89 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 127,-0.3 0.859 123.4 51.1 -53.5 -42.6 33.1 28.7 96.5 89 90 A R H > S+ 0 0 1 125,-0.3 4,-2.3 126,-0.3 126,-0.3 0.928 110.4 48.4 -65.0 -43.5 31.9 31.6 94.3 90 91 A C H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.890 108.2 55.5 -62.9 -37.6 34.1 34.1 96.1 91 92 A R H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.908 109.1 47.9 -60.9 -40.7 37.1 31.8 95.9 92 93 A Q H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.932 114.2 44.5 -66.0 -47.0 36.6 31.7 92.1 93 94 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.936 115.1 49.0 -63.5 -45.2 36.3 35.5 91.7 94 95 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 7,-0.3 0.898 111.6 49.7 -60.8 -41.5 39.2 36.1 94.0 95 96 A L H < S+ 0 0 22 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.933 115.9 42.3 -63.6 -45.3 41.3 33.6 92.1 96 97 A D H < S+ 0 0 76 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.820 126.3 30.2 -73.0 -32.6 40.5 35.1 88.8 97 98 A L H < S+ 0 0 26 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.737 135.6 21.7 -99.8 -26.7 40.8 38.8 89.8 98 99 A H >< + 0 0 12 -4,-2.5 3,-2.3 -5,-0.4 19,-0.2 -0.498 65.7 168.7-140.0 66.4 43.4 38.7 92.5 99 100 A P T 3 S+ 0 0 59 0, 0.0 19,-0.3 0, 0.0 18,-0.1 0.688 78.1 54.0 -53.4 -23.5 45.4 35.4 92.0 100 101 A G T 3 S+ 0 0 69 -30,-0.1 2,-0.1 -6,-0.1 -5,-0.1 0.355 86.6 113.0 -95.8 8.0 48.1 36.5 94.5 101 102 A I < - 0 0 1 -3,-2.3 16,-2.3 -7,-0.3 2,-0.3 -0.382 53.6-147.4 -80.5 156.0 45.6 37.2 97.3 102 103 A K E -cE 72 116A 83 -31,-1.4 -29,-1.6 14,-0.2 2,-0.4 -0.885 6.5-147.4-118.3 152.6 45.4 35.2 100.6 103 104 A A E -cE 73 115A 1 12,-2.7 12,-2.6 -2,-0.3 2,-0.5 -0.968 16.6-125.4-122.4 138.4 42.2 34.6 102.6 104 105 A I E + E 0 114A 1 -31,-2.5 -29,-0.4 -2,-0.4 2,-0.3 -0.730 42.6 157.2 -86.1 123.3 42.1 34.3 106.4 105 106 A V E - E 0 113A 5 8,-2.7 8,-2.5 -2,-0.5 2,-0.5 -0.850 45.4 -96.3-136.2 170.5 40.4 31.1 107.5 106 107 A K E - E 0 112A 99 -2,-0.3 -21,-0.1 6,-0.2 2,-0.0 -0.799 39.9-139.8 -93.5 131.4 40.5 28.9 110.6 107 108 A D > - 0 0 58 4,-2.7 3,-3.8 -2,-0.5 4,-0.1 -0.234 39.9 -79.2 -82.5 176.9 42.9 26.0 110.5 108 109 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.607 134.5 52.3 -51.4 -13.1 42.3 22.5 111.8 109 110 A D T 3 S- 0 0 124 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.293 119.8-108.6-106.9 7.5 43.1 23.9 115.3 110 111 A G S < S+ 0 0 38 -3,-3.8 -2,-0.1 1,-0.3 -4,-0.0 0.576 76.0 135.4 77.9 9.2 40.6 26.7 115.0 111 112 A Q - 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0 0 103 -3,-1.4 -3,-0.1 -4,-0.6 -1,-0.1 0.710 42.4-163.0 -74.6 -19.6 29.2 56.1 77.9 460 83 D G E < +S 455 0D 28 -5,-0.8 -5,-2.6 -72,-0.0 -1,-0.2 -0.327 45.5 13.8 74.6-155.1 27.0 58.0 80.3 461 84 D I E -S 454 0D 20 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.286 61.2-168.9 -61.1 135.1 23.8 56.7 81.9 462 85 D L - 0 0 29 -9,-2.2 -9,-0.5 20,-0.2 20,-0.1 -0.996 24.4-120.8-127.6 128.2 23.1 53.0 81.7 463 86 D S - 0 0 21 -2,-0.4 20,-0.1 -87,-0.2 -11,-0.1 -0.420 41.3 -99.3 -65.8 141.2 19.7 51.5 82.6 464 87 D P - 0 0 5 0, 0.0 -87,-0.2 0, 0.0 -1,-0.1 -0.341 42.1-114.3 -62.2 143.0 20.0 48.9 85.4 465 88 D C > - 0 0 5 -89,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.179 31.9 -95.5 -71.7 170.6 20.1 45.3 84.1 466 89 D G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -125,-0.4 0.865 123.2 51.3 -56.6 -40.8 17.3 42.9 84.9 467 90 D R H > S+ 0 0 0 -127,-0.4 4,-2.4 -126,-0.3 -126,-0.3 0.946 110.7 47.8 -64.8 -46.1 19.1 41.3 87.9 468 91 D C H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.913 108.8 55.1 -60.3 -40.7 19.8 44.7 89.5 469 92 D R H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.907 109.3 47.7 -58.7 -41.3 16.2 45.7 89.0 470 93 D Q H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.930 113.1 46.6 -65.9 -46.4 15.0 42.6 90.8 471 94 D V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.926 114.0 48.8 -62.3 -43.9 17.4 43.1 93.7 472 95 D L H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 7,-0.3 0.923 111.3 49.5 -61.6 -45.5 16.5 46.8 94.0 473 96 D L H < S+ 0 0 21 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.926 116.5 42.2 -60.3 -45.4 12.7 46.0 93.9 474 97 D D H < S+ 0 0 70 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.859 126.8 30.4 -72.0 -36.1 13.2 43.4 96.6 475 98 D L H < S+ 0 0 23 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.773 136.5 19.7 -95.5 -28.4 15.6 45.4 98.9 476 99 D H >< + 0 0 10 -4,-3.2 3,-2.6 -5,-0.3 -1,-0.2 -0.503 65.0 168.8-140.4 66.4 14.5 49.0 98.2 477 100 D P T 3 S+ 0 0 60 0, 0.0 19,-0.3 0, 0.0 18,-0.1 0.651 78.6 57.0 -55.2 -17.8 11.0 48.9 96.7 478 101 D G T 3 S+ 0 0 68 -30,-0.1 -5,-0.1 -6,-0.1 2,-0.1 0.415 86.3 114.3 -95.3 3.5 10.6 52.6 97.2 479 102 D I < - 0 0 1 -3,-2.6 16,-2.3 -7,-0.3 2,-0.4 -0.330 51.6-151.7 -77.6 155.0 13.7 53.4 95.1 480 103 D K E -rT 450 494D 81 -31,-1.2 -29,-1.7 14,-0.2 2,-0.4 -0.937 7.9-146.8-123.0 145.4 13.9 55.2 91.7 481 104 D A E -rT 451 493D 1 12,-2.8 12,-3.1 -2,-0.4 2,-0.6 -0.902 15.0-125.8-114.9 144.1 16.5 54.6 89.0 482 105 D I E + T 0 492D 1 -31,-2.4 -29,-0.4 -2,-0.4 2,-0.3 -0.786 42.0 156.4 -91.4 123.4 17.8 57.2 86.6 483 106 D V E - T 0 491D 4 8,-2.9 8,-2.2 -2,-0.6 2,-0.4 -0.863 44.3 -95.7-137.0 170.2 17.5 56.2 83.0 484 107 D K E - T 0 490D 104 -2,-0.3 -21,-0.1 6,-0.2 2,-0.0 -0.781 35.8-144.3 -94.6 132.4 17.4 58.1 79.7 485 108 D D > - 0 0 58 4,-2.6 3,-2.8 -2,-0.4 -1,-0.1 -0.120 42.5 -79.2 -81.4-175.4 13.9 58.8 78.2 486 109 D S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.819 134.8 56.4 -55.3 -31.9 13.0 58.8 74.5 487 110 D D T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.394 117.7-116.5 -81.2 3.4 14.6 62.2 74.2 488 111 D G S < S+ 0 0 30 -3,-2.8 -2,-0.1 1,-0.3 -1,-0.1 0.642 73.1 135.9 70.4 13.1 17.8 60.7 75.6 489 112 D Q - 0 0 121 1,-0.1 -4,-2.6 -110,-0.0 -1,-0.3 -0.737 62.7 -97.7 -97.4 143.4 17.4 63.0 78.6 490 113 D P E +T 484 0D 36 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.259 48.2 167.9 -58.4 137.8 17.9 61.8 82.3 491 114 D T E -T 483 0D 47 -8,-2.2 -8,-2.9 -112,-0.1 2,-0.5 -0.975 32.4-127.8-155.1 138.9 14.8 60.9 84.2 492 115 D A E -T 482 0D 24 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.784 30.0-173.1 -92.1 125.3 14.1 59.1 87.5 493 116 D V E -T 481 0D 24 -12,-3.1 -12,-2.8 -2,-0.5 5,-0.1 -0.929 30.8-104.7-121.7 142.8 11.7 56.2 87.3 494 117 D G E >> -T 480 0D 19 -2,-0.4 3,-1.4 -14,-0.2 4,-0.7 -0.372 32.8-123.4 -60.5 139.0 10.1 54.1 90.0 495 118 D I H >> S+ 0 0 1 -16,-2.3 3,-0.9 1,-0.3 4,-0.5 0.823 109.3 62.1 -55.5 -34.5 11.7 50.7 90.1 496 119 D R H >4 S+ 0 0 147 -19,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.815 97.1 58.9 -62.0 -29.9 8.4 48.9 89.6 497 120 D E H <4 S+ 0 0 129 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.767 102.8 52.6 -70.0 -25.8 8.0 50.7 86.3 498 121 D L H << S+ 0 0 4 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.550 116.1 41.8 -85.7 -9.1 11.3 49.0 85.1 499 122 D L S X< S- 0 0 3 -3,-0.7 3,-1.5 -4,-0.5 -1,-0.2 -0.543 80.4-168.2-137.1 69.9 9.9 45.6 86.1 500 123 D P T 3 S+ 0 0 39 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.330 79.2 6.1 -61.6 136.9 6.2 45.4 85.0 501 124 D S T 3 S- 0 0 65 1,-0.1 -143,-0.1 -5,-0.1 -164,-0.1 0.823 101.3-170.2 57.7 30.5 4.3 42.4 86.5 502 125 D G < 0 0 32 -3,-1.5 -165,-0.2 -6,-0.3 -163,-0.1 0.001 360.0 360.0 -53.1 155.7 7.5 41.9 88.5 503 126 D Y 0 0 106 -165,-0.3 -163,-0.1 -167,-0.1 -1,-0.1 -0.540 360.0 360.0 -84.1 360.0 8.2 38.8 90.5