==== 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 10-MAR-99 2CEV . COMPND 2 MOLECULE: PROTEIN (ARGINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CALDOVELOX; . AUTHOR M.C.BEWLEY,P.D.JEFFREY,M.L.PATCHETT,Z.F.KANYO,E.N.BAKER . 1788 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1298 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 282 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 128 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 211 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 546 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 2.7 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 6 6 0 18 0 6 6 0 0 12 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 6 18 0 18 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 6 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 K 0 0 163 0, 0.0 88,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 130.2 42.1 100.2 42.4 2 3 A P - 0 0 40 0, 0.0 88,-3.4 0, 0.0 2,-0.4 -0.208 360.0-133.0 -61.7 155.5 41.5 100.0 38.6 3 4 A I E -ab 42 90A 1 38,-2.6 40,-2.3 86,-0.2 2,-0.5 -0.881 14.3-163.1-116.8 144.4 38.2 98.3 37.5 4 5 A S E -ab 43 91A 0 86,-2.8 88,-3.0 -2,-0.4 2,-0.5 -0.993 13.0-149.9-126.3 121.4 37.5 95.7 34.9 5 6 A I E -ab 44 92A 0 38,-3.1 40,-2.4 -2,-0.5 2,-0.5 -0.784 12.6-174.0 -92.7 129.0 34.0 95.3 33.7 6 7 A I E - b 0 93A 4 86,-2.2 88,-2.6 -2,-0.5 2,-0.3 -0.995 11.2-151.5-124.2 124.2 32.9 91.8 32.5 7 8 A G E -ab 47 94A 0 39,-3.1 41,-2.6 -2,-0.5 88,-0.2 -0.753 7.9-168.7 -94.6 142.8 29.4 91.4 31.0 8 9 A V E - b 0 95A 0 86,-2.6 2,-2.6 -2,-0.3 88,-0.5 -0.808 6.2-162.9-133.2 89.9 27.6 88.1 31.3 9 10 A P + 0 0 31 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.342 36.9 152.9 -71.8 63.3 24.6 88.1 28.9 10 11 A M + 0 0 0 -2,-2.6 87,-1.9 9,-0.2 86,-0.5 -0.803 23.8 150.8-103.6 131.9 23.0 85.2 30.7 11 12 A D > + 0 0 20 -2,-0.4 3,-1.3 85,-0.2 -1,-0.1 0.323 54.7 95.1-133.6 4.1 19.3 84.3 31.0 12 13 A L T 3 + 0 0 10 1,-0.3 125,-0.3 85,-0.1 58,-0.1 0.551 69.2 73.4 -74.3 -12.2 19.6 80.5 31.3 13 14 A G T 3 S+ 0 0 0 123,-0.1 125,-3.2 124,-0.1 126,-0.3 0.446 112.3 14.8 -81.2 -2.4 19.4 80.6 35.1 14 15 A Q S < S- 0 0 5 -3,-1.3 123,-0.1 123,-0.2 83,-0.1 -0.874 82.2-106.0-153.3-174.5 15.7 81.5 34.8 15 16 A T S S+ 0 0 70 -2,-0.2 2,-0.7 2,-0.1 -3,-0.1 0.569 81.2 92.0-104.5 -9.2 12.9 81.4 32.3 16 17 A R > - 0 0 112 -5,-0.1 3,-0.8 1,-0.0 222,-0.1 -0.779 68.1-138.2 -92.5 117.9 12.1 85.0 31.3 17 18 A R T 3 S+ 0 0 120 -2,-0.7 -2,-0.1 1,-0.2 257,-0.0 -0.291 77.2 57.9 -69.1 153.7 14.1 86.1 28.2 18 19 A G T > S+ 0 0 2 256,-0.1 3,-1.8 255,-0.1 256,-0.2 0.009 70.5 96.2 117.1 -28.9 15.6 89.6 28.2 19 20 A V G X S+ 0 0 1 -3,-0.8 3,-1.6 1,-0.3 -9,-0.2 0.745 76.0 69.9 -67.7 -17.1 17.9 89.5 31.2 20 21 A D G 3 S+ 0 0 56 1,-0.3 4,-0.3 -11,-0.2 -1,-0.3 0.681 92.1 59.8 -70.4 -16.5 20.7 88.6 28.8 21 22 A M G <> S+ 0 0 96 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.451 80.2 93.5 -88.4 -4.7 20.3 92.3 27.5 22 23 A G H <> S+ 0 0 0 -3,-1.6 4,-1.9 249,-0.4 74,-0.2 0.839 76.6 55.8 -58.6 -42.1 21.1 93.6 31.0 23 24 A P H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.948 114.3 39.0 -60.6 -45.8 24.9 94.0 30.5 24 25 A S H > S+ 0 0 38 -4,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.817 109.7 59.9 -75.9 -26.2 24.5 96.3 27.5 25 26 A A H X S+ 0 0 7 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.932 109.4 44.8 -63.2 -42.6 21.5 98.1 29.0 26 27 A M H <>S+ 0 0 0 -4,-1.9 5,-1.6 2,-0.2 -2,-0.2 0.856 111.1 53.3 -69.3 -34.2 23.8 99.2 31.8 27 28 A R H ><5S+ 0 0 37 -4,-1.6 3,-1.7 1,-0.2 5,-0.3 0.952 111.4 46.1 -63.5 -45.5 26.5 100.1 29.3 28 29 A Y H 3<5S+ 0 0 190 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.723 101.9 64.6 -70.1 -22.9 24.0 102.3 27.5 29 30 A A T 3<5S- 0 0 28 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.494 125.1-104.3 -76.6 -2.8 22.9 103.7 30.9 30 31 A G T <>5 + 0 0 12 -3,-1.7 4,-2.4 -5,-0.1 -3,-0.2 0.774 64.9 154.9 89.7 33.2 26.5 105.1 31.0 31 32 A V H > S+ 0 0 28 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.952 113.8 46.7 -63.3 -47.0 31.8 103.5 31.9 33 34 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.894 110.3 53.7 -62.6 -40.8 31.3 107.3 31.8 34 35 A R H X S+ 0 0 51 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.929 114.5 40.0 -60.0 -47.6 30.0 107.4 35.3 35 36 A L H <>S+ 0 0 0 -4,-2.1 5,-1.5 1,-0.2 3,-0.4 0.823 111.8 55.4 -75.1 -31.1 33.1 105.6 36.7 36 37 A E H ><5S+ 0 0 102 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.873 100.3 61.5 -66.9 -35.0 35.6 107.5 34.5 37 38 A R H 3<5S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.804 98.2 57.9 -60.6 -28.2 34.1 110.7 35.9 38 39 A L T 3<5S- 0 0 45 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.263 123.8-107.1 -88.1 12.5 35.3 109.4 39.3 39 40 A H T < 5 + 0 0 178 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.748 67.2 153.7 69.0 29.2 38.9 109.2 37.9 40 41 A Y < - 0 0 69 -5,-1.5 2,-1.0 -38,-0.0 -1,-0.2 -0.542 53.0-125.1 -88.1 150.7 39.0 105.4 37.7 41 42 A D - 0 0 91 -2,-0.2 -38,-2.6 -40,-0.1 2,-0.5 -0.902 45.7-174.9 -91.4 100.8 41.1 103.5 35.3 42 43 A I E -a 3 0A 21 -2,-1.0 2,-0.4 -40,-0.2 -38,-0.2 -0.937 14.1-174.1-112.3 133.1 38.2 101.5 33.8 43 44 A E E -a 4 0A 49 -40,-2.3 -38,-3.1 -2,-0.5 2,-0.7 -0.965 15.3-149.4-126.4 134.1 38.4 98.7 31.3 44 45 A D E -a 5 0A 65 -2,-0.4 -38,-0.2 -40,-0.2 3,-0.1 -0.914 10.0-174.6-106.7 108.2 35.6 96.9 29.6 45 46 A L E - 0 0 82 -40,-2.4 2,-0.2 -2,-0.7 -39,-0.1 0.426 37.9-128.0 -81.5 2.4 36.6 93.3 28.8 46 47 A G E - 0 0 28 -41,-0.3 -39,-3.1 2,-0.0 2,-0.3 -0.517 42.4 -36.8 87.8-157.3 33.4 92.6 26.8 47 48 A D E -a 7 0A 69 -41,-0.2 -39,-0.2 -2,-0.2 -41,-0.0 -0.840 47.9-115.7-113.2 149.9 31.0 89.7 27.4 48 49 A I - 0 0 14 -41,-2.6 2,-0.3 -2,-0.3 25,-0.1 -0.585 40.9-112.4 -78.2 132.7 31.4 86.1 28.3 49 50 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 27,-0.1 -0.552 34.9-158.5 -68.9 123.0 30.2 83.8 25.4 50 51 A I - 0 0 33 -2,-0.3 20,-0.1 -41,-0.1 19,-0.1 -0.912 8.6-134.2-106.7 132.1 27.0 82.1 26.6 51 52 A G - 0 0 44 -2,-0.5 2,-0.3 18,-0.3 -1,-0.0 -0.102 26.4 -96.2 -74.9 176.1 26.0 78.9 24.9 52 53 A K - 0 0 189 1,-0.1 -1,-0.1 -40,-0.0 2,-0.1 -0.740 50.1 -93.5 -93.4 143.6 22.5 78.0 23.8 53 54 A A - 0 0 49 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.361 37.4-131.1 -59.2 132.1 20.4 75.9 26.1 54 55 A E - 0 0 76 1,-0.1 12,-0.2 -2,-0.1 5,-0.1 -0.541 43.5 -77.4 -81.8 150.7 20.6 72.2 25.5 55 56 A R >> - 0 0 159 -2,-0.2 3,-2.4 1,-0.1 4,-1.5 -0.293 40.9-128.7 -53.1 124.8 17.2 70.3 25.3 56 57 A L T 34 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.2 8,-0.1 0.760 106.5 62.4 -46.8 -33.3 16.0 69.8 28.9 57 58 A H T 34 S+ 0 0 149 1,-0.2 -1,-0.3 4,-0.1 5,-0.1 0.780 111.3 38.7 -67.6 -25.9 15.5 66.1 28.3 58 59 A E T <4 S+ 0 0 106 -3,-2.4 -2,-0.2 3,-0.1 -1,-0.2 0.705 101.6 90.5 -95.6 -25.1 19.2 65.7 27.7 59 60 A Q S < S- 0 0 14 -4,-1.5 3,-0.1 -5,-0.1 6,-0.1 0.057 99.8 -74.7 -65.5 177.9 20.5 68.2 30.4 60 61 A G S S- 0 0 34 4,-0.2 2,-0.3 1,-0.2 5,-0.1 0.862 94.2 -55.5 -38.8 -62.5 21.4 67.5 34.0 61 62 A D B > -H 64 0B 40 3,-0.7 3,-3.1 74,-0.1 6,-0.2 -0.934 46.4 -86.3 179.6 163.7 17.8 67.2 35.2 62 63 A S T 3 S+ 0 0 118 1,-0.3 3,-0.3 -2,-0.3 -2,-0.1 0.703 123.9 53.1 -48.3 -25.0 14.2 68.5 35.6 63 64 A R T 3 S+ 0 0 100 1,-0.2 -1,-0.3 73,-0.0 72,-0.2 0.408 108.8 50.0 -95.0 -2.9 15.4 70.3 38.8 64 65 A L B X S-H 61 0B 0 -3,-3.1 3,-1.4 -8,-0.1 -3,-0.7 -0.640 78.9-156.7-140.0 79.0 18.3 72.0 37.2 65 66 A R T 3 S- 0 0 72 70,-2.3 72,-0.4 1,-0.3 5,-0.1 -0.299 76.4 -2.5 -60.7 131.8 17.3 73.8 34.0 66 67 A N T 3> S+ 0 0 12 -12,-0.2 4,-2.6 3,-0.1 5,-0.3 0.763 82.1 163.3 57.5 33.7 20.1 74.5 31.5 67 68 A L H <> + 0 0 6 -3,-1.4 4,-3.1 1,-0.2 5,-0.2 0.884 66.8 44.3 -48.4 -57.8 22.7 73.0 33.8 68 69 A K H > S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.885 116.3 45.6 -61.1 -40.3 25.6 72.4 31.4 69 70 A A H > S+ 0 0 10 2,-0.2 4,-2.3 -3,-0.2 -18,-0.3 0.888 115.4 47.6 -70.3 -38.3 25.3 75.8 29.6 70 71 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.946 115.4 46.0 -66.0 -44.0 25.0 77.6 32.9 71 72 A A H X S+ 0 0 12 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.935 112.9 48.6 -64.7 -46.9 27.9 75.6 34.3 72 73 A E H X S+ 0 0 115 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.905 112.0 48.9 -61.4 -42.1 30.1 76.2 31.2 73 74 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.870 110.9 51.0 -66.4 -35.4 29.4 79.9 31.1 74 75 A N H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.820 105.7 55.9 -72.4 -27.5 30.2 80.1 34.8 75 76 A E H X S+ 0 0 86 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.948 110.2 45.0 -66.8 -47.4 33.5 78.3 34.2 76 77 A K H X S+ 0 0 92 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.851 113.4 51.1 -63.2 -38.4 34.5 80.9 31.6 77 78 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.927 108.7 50.5 -65.6 -44.7 33.4 83.7 34.0 78 79 A A H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.923 110.7 50.1 -59.1 -44.9 35.4 82.3 36.9 79 80 A A H X S+ 0 0 51 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.931 113.0 46.1 -59.5 -46.8 38.5 82.1 34.6 80 81 A A H X S+ 0 0 28 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.901 114.2 46.4 -63.0 -46.2 38.0 85.8 33.5 81 82 A V H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.876 110.1 55.6 -65.0 -37.3 37.3 87.1 37.0 82 83 A D H X S+ 0 0 22 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.944 107.9 47.6 -60.5 -48.0 40.4 85.2 38.3 83 84 A Q H X S+ 0 0 90 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.894 110.0 52.5 -61.9 -40.5 42.6 86.8 35.7 84 85 A V H <>S+ 0 0 1 -4,-1.9 5,-2.1 1,-0.2 3,-0.3 0.934 110.8 47.5 -60.9 -45.2 41.2 90.3 36.6 85 86 A V H ><5S+ 0 0 23 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.902 109.0 53.7 -63.5 -40.7 42.0 89.7 40.3 86 87 A Q H 3<5S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 102.9 58.5 -65.1 -26.6 45.5 88.5 39.5 87 88 A R T 3<5S- 0 0 120 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.365 120.7-110.6 -83.2 4.6 46.1 91.7 37.5 88 89 A G T < 5S+ 0 0 34 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.748 76.1 130.1 74.4 24.2 45.3 93.6 40.7 89 90 A R < - 0 0 25 -5,-2.1 -1,-0.3 -6,-0.2 -86,-0.2 -0.703 63.5-109.9-110.8 162.7 42.1 95.0 39.4 90 91 A F E -b 3 0A 16 -88,-3.4 -86,-2.8 -2,-0.2 2,-0.6 -0.803 31.5-135.0 -91.0 122.2 38.6 95.2 40.8 91 92 A P E -b 4 0A 3 0, 0.0 175,-1.9 0, 0.0 2,-0.6 -0.732 21.4-174.6 -84.1 118.9 36.2 92.8 39.0 92 93 A L E -bc 5 266A 0 -88,-3.0 -86,-2.2 -2,-0.6 2,-0.4 -0.944 9.2-165.8-114.4 105.2 32.8 94.5 38.2 93 94 A V E -bc 6 267A 0 173,-2.5 175,-2.1 -2,-0.6 2,-0.5 -0.803 5.5-160.1 -99.2 131.2 30.4 91.9 36.7 94 95 A L E -bc 7 268A 0 -88,-2.6 -86,-2.6 -2,-0.4 175,-0.2 -0.944 30.7-110.8-113.0 122.6 27.2 92.9 34.9 95 96 A G E +b 8 0A 0 173,-2.8 176,-0.2 -2,-0.5 2,-0.2 -0.407 45.5 172.2 -99.3-179.4 24.4 90.4 34.5 96 97 A G S S- 0 0 0 -86,-0.5 174,-2.9 -88,-0.5 175,-0.3 0.514 81.0 -27.9 89.6 143.7 22.6 88.5 33.4 97 98 A D S > S- 0 0 0 -87,-1.9 3,-1.6 172,-0.2 -1,-0.1 -0.248 72.7 -94.7 -73.2 170.4 20.5 86.5 35.9 98 99 A H G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.601 108.7 85.3 -63.1 -15.8 21.9 85.7 39.4 99 100 A S G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.756 77.0 72.6 -59.0 -20.5 23.2 82.3 38.4 100 101 A I G <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.3 3,-0.4 0.656 75.2 79.3 -68.2 -16.2 26.4 84.1 37.3 101 102 A A H <> S+ 0 0 0 -3,-2.3 4,-2.8 1,-0.2 5,-0.3 0.803 84.4 63.9 -61.4 -26.6 27.3 84.7 41.0 102 103 A I H <> S+ 0 0 2 -3,-1.5 4,-1.6 -4,-0.3 -1,-0.2 0.932 108.2 38.7 -62.7 -45.5 28.5 81.1 40.9 103 104 A G H > S+ 0 0 0 -4,-0.4 4,-2.3 -3,-0.4 -2,-0.2 0.908 115.5 52.1 -71.8 -43.2 31.2 82.1 38.4 104 105 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.951 113.7 43.2 -57.7 -51.8 32.0 85.5 40.0 105 106 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.870 110.8 56.8 -64.1 -34.1 32.5 83.9 43.4 106 107 A A H X S+ 0 0 1 -4,-1.6 4,-0.6 -5,-0.3 -1,-0.2 0.894 110.2 44.5 -64.0 -40.1 34.5 81.1 41.9 107 108 A G H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.799 123.6 34.3 -75.7 -26.1 37.0 83.5 40.4 108 109 A V H >< S+ 0 0 0 -4,-1.7 3,-2.0 -5,-0.2 4,-0.2 0.897 102.9 65.9 -95.9 -47.5 37.3 85.7 43.4 109 110 A A H >< S+ 0 0 4 -4,-2.7 3,-2.3 1,-0.3 6,-0.2 0.799 90.8 65.1 -48.3 -40.5 37.0 83.5 46.6 110 111 A K T 3< S+ 0 0 95 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.1 0.763 97.2 59.9 -56.6 -26.9 40.3 81.6 45.9 111 112 A H T < S+ 0 0 66 -3,-2.0 2,-0.4 -4,-0.1 -1,-0.3 0.455 100.2 64.7 -83.1 -1.1 42.2 84.9 46.4 112 113 A Y < - 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0 0 9 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.689 32.7-119.0 -82.7 130.0 23.3 82.9 57.9 190 191 A K E +f 169 0A 64 -22,-1.1 -20,-2.6 -25,-0.5 2,-0.4 -0.534 41.7 179.9 -67.9 131.7 23.0 86.6 59.0 191 192 A I E -f 170 0A 31 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.993 29.2-167.5-145.9 135.3 19.9 88.1 57.4 192 193 A Y E -f 171 0A 10 -22,-2.6 -20,-2.2 -2,-0.4 -19,-0.9 -0.932 20.4-171.9-119.4 99.5 18.0 91.4 57.4 193 194 A T E >> -f 173 0A 3 -2,-0.6 4,-1.8 -21,-0.2 3,-0.6 -0.247 48.1 -88.2 -76.4 179.2 14.6 91.0 55.9 194 195 A M H 3> S+ 0 0 6 -21,-2.2 4,-2.9 1,-0.2 5,-0.2 0.780 128.0 66.1 -61.6 -24.3 12.4 94.0 55.1 195 196 A H H 3> S+ 0 0 24 -22,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.937 105.4 40.7 -61.5 -49.1 11.1 93.6 58.7 196 197 A E H <>>S+ 0 0 60 -3,-0.6 4,-2.8 2,-0.2 5,-0.7 0.805 113.4 54.2 -69.4 -32.2 14.5 94.5 60.1 197 198 A V H X5S+ 0 0 1 -4,-1.8 4,-2.0 3,-0.2 -2,-0.2 0.958 114.4 40.8 -66.7 -45.9 15.0 97.2 57.5 198 199 A D H <5S+ 0 0 31 -4,-2.9 603,-0.3 2,-0.2 -2,-0.2 0.887 121.4 42.9 -66.7 -40.1 11.7 98.8 58.5 199 200 A R H <5S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.892 129.6 23.0 -76.5 -39.9 12.3 98.3 62.3 200 201 A L H <5S- 0 0 49 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.726 105.4-124.5 -98.1 -27.3 15.9 99.2 62.5 201 202 A G X< - 0 0 29 -4,-2.0 4,-1.9 -5,-0.7 3,-0.4 0.154 28.0 -85.9 92.9 149.6 16.3 101.5 59.5 202 203 A M H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.823 123.2 61.2 -61.6 -33.2 18.8 101.1 56.7 203 204 A T H > S+ 0 0 23 294,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.928 109.7 40.7 -59.4 -47.5 21.6 103.0 58.6 204 205 A R H > S+ 0 0 126 -4,-0.4 4,-2.5 -3,-0.4 5,-0.3 0.879 112.5 55.1 -68.9 -39.5 21.6 100.5 61.4 205 206 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.948 113.6 42.3 -57.5 -48.8 21.3 97.5 59.1 206 207 A M H X S+ 0 0 1 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.894 112.4 52.4 -65.4 -44.0 24.4 98.7 57.2 207 208 A E H X S+ 0 0 99 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.923 113.8 44.0 -59.2 -45.5 26.4 99.7 60.3 208 209 A E H X S+ 0 0 59 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.896 114.7 50.0 -65.8 -40.7 25.8 96.2 61.8 209 210 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.950 112.7 45.2 -63.6 -51.1 26.6 94.5 58.4 210 211 A I H X S+ 0 0 17 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.943 116.1 46.0 -59.0 -47.6 29.8 96.4 57.9 211 212 A A H X S+ 0 0 57 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.860 111.7 53.0 -64.1 -37.5 31.0 95.8 61.5 212 213 A Y H < S+ 0 0 37 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.923 118.1 34.9 -64.4 -45.4 30.0 92.2 61.3 213 214 A L H >X S+ 0 0 0 -4,-2.3 3,-2.4 2,-0.2 4,-1.5 0.926 112.0 56.7 -77.2 -46.6 32.0 91.5 58.2 214 215 A K H 3< S+ 0 0 114 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.2 0.848 106.0 57.7 -54.3 -29.7 34.9 93.8 58.7 215 216 A E T 3< S+ 0 0 134 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.557 121.0 19.8 -79.0 -11.7 35.4 91.9 61.9 216 217 A R T <4 S+ 0 0 85 -3,-2.4 2,-0.3 -4,-0.2 -2,-0.2 0.382 109.9 63.8-145.0 12.9 35.8 88.4 60.3 217 218 A T < - 0 0 18 -4,-1.5 -102,-0.2 -3,-0.1 3,-0.1 -0.864 53.9-149.2-134.3 165.9 36.7 88.6 56.6 218 219 A D S S+ 0 0 65 -104,-1.6 2,-0.3 1,-0.3 -103,-0.2 0.262 88.3 14.8-118.9 11.5 39.6 89.9 54.5 219 220 A G E -d 115 0A 4 -105,-0.7 -103,-3.2 -6,-0.1 2,-0.4 -0.919 67.8-144.6-175.0 150.1 37.5 90.8 51.5 220 221 A V E -dg 116 263A 2 42,-0.8 44,-2.7 -2,-0.3 45,-1.1 -0.990 4.6-155.3-133.6 126.9 33.8 91.4 50.8 221 222 A H E -dg 117 265A 0 -105,-2.9 -103,-2.5 -2,-0.4 2,-0.6 -0.851 9.8-149.8 -98.2 130.1 31.9 90.6 47.6 222 223 A L E -dg 118 266A 0 43,-2.3 45,-1.9 -2,-0.5 2,-0.7 -0.905 11.8-173.9-100.2 119.3 28.7 92.6 46.9 223 224 A S E -dg 119 267A 0 -105,-2.8 -103,-1.4 -2,-0.6 2,-0.7 -0.878 10.9-171.8-114.7 96.1 26.2 90.6 44.9 224 225 A L E -dg 120 268A 0 43,-2.6 45,-2.7 -2,-0.7 2,-0.6 -0.826 12.4-168.3-102.0 113.6 23.3 93.0 44.1 225 226 A D E > - g 0 269A 2 -105,-2.7 3,-2.6 -2,-0.7 4,-0.3 -0.853 21.9-140.1 -93.6 121.2 20.1 91.7 42.5 226 227 A L G > S+ 0 0 0 43,-2.2 3,-1.2 -2,-0.6 -1,-0.1 0.692 97.7 73.8 -58.7 -17.2 18.0 94.7 41.3 227 228 A D G 3 S+ 0 0 1 1,-0.3 14,-0.3 42,-0.2 -1,-0.3 0.581 75.9 79.3 -73.7 -5.4 14.9 93.0 42.6 228 229 A G G < S+ 0 0 0 -3,-2.6 17,-1.8 -108,-0.3 -1,-0.3 0.855 86.2 72.1 -64.9 -36.5 16.1 93.8 46.1 229 230 A L B < S-j 245 0D 1 -3,-1.2 12,-0.3 -4,-0.3 17,-0.2 -0.469 106.3 -87.7 -76.0 154.0 14.7 97.3 45.3 230 231 A D >> - 0 0 32 15,-2.6 4,-2.3 1,-0.1 3,-2.1 -0.308 35.9-116.5 -60.6 142.2 10.9 97.8 45.2 231 232 A P T 34 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.716 114.7 64.0 -52.8 -23.9 9.4 97.2 41.7 232 233 A S T 34 S+ 0 0 72 2,-0.2 -2,-0.1 1,-0.2 14,-0.0 0.788 113.2 33.1 -72.1 -26.9 8.4 100.9 41.6 233 234 A D T <4 S+ 0 0 34 -3,-2.1 -1,-0.2 1,-0.2 51,-0.1 0.758 135.3 26.1 -94.5 -34.2 12.1 101.8 41.6 234 235 A A < + 0 0 0 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 -0.620 67.6 158.3-132.7 73.0 13.4 98.8 39.7 235 236 A P + 0 0 22 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 0.804 55.5 82.9 -67.1 -29.2 10.6 97.5 37.4 236 237 A G + 0 0 0 41,-0.1 36,-3.1 -10,-0.0 2,-0.3 -0.362 67.3 108.2 -80.4 66.5 12.8 95.7 34.9 237 238 A V - 0 0 3 -2,-2.2 34,-0.1 38,-0.3 33,-0.1 -0.978 67.2-131.4-138.9 150.6 13.4 92.4 36.8 238 239 A G S S+ 0 0 8 32,-0.4 -1,-0.1 -2,-0.3 33,-0.1 0.784 101.8 34.7 -73.9 -30.6 12.1 88.9 36.3 239 240 A T S S- 0 0 46 31,-0.1 -1,-0.2 2,-0.0 -117,-0.1 -0.560 78.0-178.6-124.5 69.8 11.0 88.2 39.9 240 241 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -10,-0.1 -0.365 5.5-169.5 -69.1 146.1 9.6 91.4 41.3 241 242 A V - 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