==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-DEC-00 1HQX . COMPND 2 MOLECULE: ARGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR L.T.LAVULO,T.M.SOSSONG JR.,M.R.BRIGHAM-BURKE,M.L.DOYLE, . 942 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 3 0.3 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 . 87 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 0 3 3 6 0 3 0 3 0 3 3 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 9 3 9 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 . 3 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 3 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 6 A K 0 0 136 0, 0.0 40,-0.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 153.6 31.3 56.8 -3.3 2 7 A P E -a 41 0A 42 0, 0.0 86,-3.8 0, 0.0 2,-0.3 -0.610 360.0-134.7-102.2 162.6 30.9 56.9 0.6 3 8 A I E -ab 42 88A 3 38,-3.4 40,-0.8 84,-0.3 2,-0.4 -0.849 8.3-161.5-113.4 146.6 28.6 55.3 3.1 4 9 A E E -ab 43 89A 11 84,-2.9 86,-3.3 -2,-0.3 2,-0.6 -0.949 8.5-155.3-131.3 110.9 26.9 56.9 6.1 5 10 A I E -ab 44 90A 0 38,-2.6 40,-1.9 -2,-0.4 41,-0.6 -0.766 12.5-173.9 -90.7 121.6 25.6 54.7 8.9 6 11 A I E -ab 46 91A 0 84,-3.4 86,-2.0 -2,-0.6 41,-0.2 -0.941 15.5-141.8-121.8 115.7 22.8 56.2 11.0 7 12 A G E -ab 47 92A 0 39,-3.3 41,-1.5 -2,-0.5 86,-0.2 -0.362 14.5-175.4 -69.7 149.7 21.4 54.5 14.1 8 13 A A E - b 0 93A 0 84,-1.9 2,-2.6 39,-0.2 86,-0.6 -0.194 2.3-179.8-141.8 47.0 17.6 54.7 14.6 9 14 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.183 33.1 140.5 -51.3 73.0 17.0 53.1 18.0 10 15 A F + 0 0 1 -2,-2.6 85,-1.5 9,-0.2 84,-0.6 -0.915 24.9 163.0-122.2 150.4 13.2 53.6 17.9 11 16 A S + 0 0 19 -2,-0.3 3,-0.3 83,-0.2 8,-0.1 0.290 49.1 98.8-149.0 11.0 10.4 51.3 19.0 12 17 A K S S+ 0 0 41 1,-0.2 123,-0.4 83,-0.1 56,-0.2 0.424 76.2 68.1 -84.4 3.3 7.2 53.3 19.3 13 18 A G S S+ 0 0 0 122,-0.2 123,-1.8 121,-0.1 124,-0.2 0.850 103.0 49.8 -83.2 -36.8 6.1 52.2 15.9 14 19 A Q S S- 0 0 4 -3,-0.3 81,-0.1 121,-0.2 121,-0.1 -0.740 79.3-139.8 -99.2 147.3 5.7 48.7 17.3 15 20 A P S S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.756 84.1 75.3 -78.2 -22.4 3.8 48.0 20.5 16 21 A R S S- 0 0 140 1,-0.1 2,-0.3 -3,-0.0 -2,-0.0 0.449 81.3-119.6 -65.9-148.2 6.4 45.4 21.6 17 22 A G S S+ 0 0 41 257,-0.0 -1,-0.1 -5,-0.0 -5,-0.0 -0.925 71.4 54.4-165.2 137.8 9.8 46.3 22.9 18 23 A G > + 0 0 2 -2,-0.3 3,-1.7 258,-0.1 258,-0.2 0.122 64.8 106.1 129.6 -22.9 13.5 45.8 22.0 19 24 A V G > S+ 0 0 0 1,-0.3 3,-2.2 255,-0.2 -9,-0.2 0.775 74.3 65.6 -60.7 -27.6 13.9 47.0 18.5 20 25 A E G 3 S+ 0 0 54 1,-0.3 4,-0.5 -11,-0.2 -1,-0.3 0.768 93.8 61.5 -65.4 -23.3 15.7 50.2 19.6 21 26 A K G <> S+ 0 0 114 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.430 85.7 91.3 -79.5 1.7 18.4 47.8 20.8 22 27 A G H X> S+ 0 0 0 -3,-2.2 4,-2.3 2,-0.2 3,-0.7 0.993 79.6 45.2 -61.0 -70.9 18.7 46.8 17.2 23 28 A P H 3> S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.848 114.7 53.1 -41.8 -42.3 21.3 49.2 15.8 24 29 A A H 3> S+ 0 0 53 -4,-0.5 4,-3.1 1,-0.2 -2,-0.2 0.905 108.3 47.3 -61.7 -46.7 23.4 48.3 18.9 25 30 A A H S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 -2,-0.2 0.960 113.5 44.6 -67.9 -54.4 24.1 45.1 14.6 27 32 A R H ><5S+ 0 0 41 -4,-3.2 3,-2.6 1,-0.2 5,-0.3 0.949 111.2 55.8 -50.8 -55.7 27.1 47.4 15.4 28 33 A K H 3<5S+ 0 0 181 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.878 98.4 62.1 -41.5 -48.9 28.0 44.9 18.1 29 34 A A T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.355 126.2 -98.8 -66.1 5.6 28.1 42.2 15.4 30 35 A G T <>5S+ 0 0 6 -3,-2.6 4,-2.7 4,-0.0 5,-0.3 0.545 72.2 150.1 88.5 9.2 30.9 44.0 13.6 31 36 A L H > S+ 0 0 16 -5,-0.3 4,-4.0 2,-0.2 5,-0.2 0.996 114.3 47.5 -72.1 -68.5 30.9 48.7 10.7 33 38 A E H > S+ 0 0 113 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.817 117.5 49.6 -41.7 -35.3 34.4 47.3 10.8 34 39 A K H >< S+ 0 0 93 -4,-2.7 3,-1.1 2,-0.2 -1,-0.2 0.982 109.5 46.5 -69.5 -58.0 33.0 44.8 8.3 35 40 A L H >< S+ 0 0 2 -4,-2.4 3,-2.7 -5,-0.3 5,-0.4 0.908 105.0 66.7 -48.8 -42.4 31.5 47.4 6.0 36 41 A K H 3< S+ 0 0 114 -4,-4.0 -1,-0.3 1,-0.3 4,-0.3 0.886 91.2 60.8 -44.7 -48.9 34.8 49.1 6.4 37 42 A E T << S+ 0 0 170 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.456 89.7 89.8 -63.4 -0.8 36.6 46.3 4.5 38 43 A T S < S- 0 0 28 -3,-2.7 2,-0.7 -4,-0.2 262,-0.1 -0.450 99.2 -96.2 -91.2 172.4 34.5 46.9 1.4 39 44 A E S S+ 0 0 139 260,-0.3 2,-0.3 -2,-0.1 -2,-0.1 -0.046 98.9 90.5 -80.2 36.6 35.5 49.3 -1.4 40 45 A Y S S- 0 0 38 -2,-0.7 2,-0.4 -5,-0.4 -2,-0.1 -0.863 80.2-114.8-124.0 159.2 33.4 52.0 0.1 41 46 A N E -a 2 0A 125 -40,-0.9 -38,-3.4 -2,-0.3 2,-0.4 -0.780 33.5-148.1 -96.8 143.0 34.3 54.6 2.7 42 47 A V E +a 3 0A 26 -2,-0.4 2,-0.4 -40,-0.2 -38,-0.2 -0.921 23.4 170.0-123.9 142.0 32.6 54.4 6.0 43 48 A R E -a 4 0A 140 -40,-0.8 -38,-2.6 -2,-0.4 2,-0.9 -0.983 24.1-144.3-143.1 125.1 31.5 56.9 8.7 44 49 A D E -a 5 0A 66 -2,-0.4 -38,-0.1 -40,-0.2 3,-0.1 -0.811 10.9-172.0 -95.0 102.6 29.3 56.0 11.7 45 50 A H E - 0 0 60 -40,-1.9 -39,-0.2 -2,-0.9 -1,-0.1 0.561 40.1-129.3 -69.6 -7.0 27.0 59.0 12.3 46 51 A G E -a 6 0A 20 -41,-0.6 -39,-3.3 1,-0.0 2,-0.6 -0.341 36.6 -49.3 87.1-174.5 25.9 57.4 15.5 47 52 A D E -a 7 0A 67 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.1 -0.892 58.2-118.1-104.6 114.2 22.3 56.7 16.8 48 53 A L - 0 0 15 -41,-1.5 2,-0.6 -2,-0.6 -2,-0.0 -0.018 28.5-122.3 -42.5 150.0 20.0 59.7 16.6 49 54 A A - 0 0 79 -41,-0.1 2,-0.5 22,-0.0 -1,-0.1 -0.894 25.9-149.0-101.0 126.6 18.8 60.7 20.1 50 55 A F - 0 0 42 -2,-0.6 2,-0.7 -41,-0.2 21,-0.1 -0.858 3.9-147.2-104.9 132.2 15.0 60.6 20.3 51 56 A V - 0 0 92 -2,-0.5 2,-1.0 16,-0.1 19,-0.1 -0.843 19.9-133.8 -94.9 115.3 13.0 62.9 22.6 52 57 A D - 0 0 93 -2,-0.7 15,-0.1 1,-0.1 16,-0.1 -0.599 19.3-127.4 -76.6 103.0 9.9 61.1 23.9 53 58 A V - 0 0 40 -2,-1.0 14,-0.2 1,-0.1 3,-0.2 -0.275 30.3-126.6 -49.9 102.9 7.0 63.5 23.5 54 59 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.311 86.7 17.9 -59.3 132.3 5.6 63.5 27.0 55 60 A N S S- 0 0 145 1,-0.2 2,-1.3 -3,-0.0 -2,-0.1 0.986 73.0-177.9 70.2 62.4 1.9 62.7 27.1 56 61 A D - 0 0 20 -3,-0.2 8,-0.6 9,-0.0 -1,-0.2 -0.650 11.1-163.1 -94.3 80.2 1.4 61.2 23.6 57 62 A S - 0 0 54 -2,-1.3 2,-0.3 1,-0.1 9,-0.3 -0.317 31.7 -96.6 -62.5 142.9 -2.3 60.5 23.6 58 63 A P - 0 0 78 0, 0.0 2,-2.1 0, 0.0 5,-0.2 -0.463 26.6-136.2 -65.0 120.8 -3.5 58.1 21.0 59 64 A F B > S-H 62 0B 48 3,-1.3 3,-0.7 -2,-0.3 2,-0.6 -0.601 71.9 -61.4 -76.5 84.2 -4.8 60.1 18.0 60 65 A Q T 3 S- 0 0 114 -2,-2.1 73,-0.1 1,-0.3 68,-0.1 -0.631 119.2 -16.1 74.3-116.0 -7.8 57.8 17.7 61 66 A I T 3 S+ 0 0 67 -2,-0.6 72,-0.3 66,-0.3 -1,-0.3 0.933 115.6 97.1 -82.9 -54.1 -6.3 54.3 17.0 62 67 A V B < -H 59 0B 1 -3,-0.7 -3,-1.3 65,-0.3 2,-0.3 -0.069 66.6-153.4 -39.8 118.2 -2.8 55.5 16.0 63 68 A K + 0 0 72 70,-1.6 72,-0.4 1,-0.2 5,-0.1 -0.683 66.7 10.1-101.9 155.3 -0.7 55.2 19.2 64 69 A N S > S+ 0 0 60 -8,-0.6 4,-1.5 -2,-0.3 -1,-0.2 0.897 77.5 161.7 43.4 52.3 2.4 57.2 20.0 65 70 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.977 70.2 35.7 -63.3 -60.6 1.7 59.6 17.1 66 71 A R H > S+ 0 0 61 -9,-0.3 4,-2.8 2,-0.2 5,-0.4 0.890 112.6 59.5 -64.1 -41.5 3.8 62.6 18.1 67 72 A S H > S+ 0 0 5 -14,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.908 114.7 37.8 -52.8 -45.1 6.6 60.4 19.6 68 73 A V H X S+ 0 0 1 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.920 112.4 57.2 -72.2 -48.6 7.0 58.8 16.2 69 74 A G H X S+ 0 0 0 -4,-3.0 4,-2.2 86,-0.4 -2,-0.2 0.931 112.1 41.3 -48.4 -54.3 6.4 62.0 14.2 70 75 A K H X S+ 0 0 72 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.868 111.6 57.8 -63.1 -38.6 9.2 63.8 15.9 71 76 A A H X S+ 0 0 1 -4,-1.4 4,-1.8 -5,-0.4 -2,-0.2 0.975 111.8 40.2 -55.3 -56.0 11.4 60.7 15.8 72 77 A N H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.816 107.0 63.7 -64.9 -31.9 11.1 60.6 12.0 73 78 A E H X S+ 0 0 71 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.956 106.0 45.3 -57.3 -49.5 11.4 64.4 11.6 74 79 A Q H X S+ 0 0 39 -4,-2.1 4,-2.5 2,-0.2 3,-0.3 0.947 115.3 46.9 -56.5 -54.2 14.9 64.2 13.1 75 80 A L H X S+ 0 0 0 -4,-1.8 4,-3.6 1,-0.2 5,-0.3 0.942 106.9 54.5 -55.6 -54.9 15.9 61.2 10.9 76 81 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.853 112.1 49.7 -49.8 -33.4 14.5 62.6 7.6 77 82 A A H X S+ 0 0 45 -4,-1.5 4,-3.3 -3,-0.3 -2,-0.2 0.983 112.2 42.4 -68.5 -60.7 16.8 65.6 8.5 78 83 A V H X S+ 0 0 28 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.902 118.8 48.0 -53.2 -44.3 20.0 63.7 9.2 79 84 A V H X S+ 0 0 0 -4,-3.6 4,-2.6 2,-0.2 5,-0.3 0.983 111.7 47.2 -59.5 -61.4 19.3 61.5 6.2 80 85 A A H X S+ 0 0 7 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.922 112.9 53.4 -45.6 -50.6 18.5 64.3 3.8 81 86 A E H X S+ 0 0 93 -4,-3.3 4,-1.2 1,-0.2 -1,-0.2 0.935 112.5 38.5 -52.6 -59.6 21.7 66.0 5.1 82 87 A T H <>S+ 0 0 6 -4,-2.5 5,-2.0 1,-0.2 -1,-0.2 0.768 113.1 58.1 -67.7 -23.6 24.2 63.3 4.5 83 88 A Q H ><5S+ 0 0 1 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 0.891 101.3 57.6 -69.4 -38.2 22.4 62.4 1.2 84 89 A K H 3<5S+ 0 0 121 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.871 100.0 56.0 -56.3 -41.8 23.1 65.9 0.2 85 90 A N T 3<5S- 0 0 93 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.026 121.9-111.1 -83.7 31.0 26.9 65.4 0.7 86 91 A G T < 5S+ 0 0 31 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.612 72.1 138.8 49.2 22.8 26.5 62.5 -1.7 87 92 A T < - 0 0 23 -5,-2.0 2,-0.4 -86,-0.1 -84,-0.3 -0.772 59.8-111.9 -95.5 140.2 27.1 59.7 0.9 88 93 A I E -b 3 0A 6 -86,-3.8 -84,-2.9 -2,-0.4 2,-0.4 -0.599 34.2-129.3 -75.0 125.5 24.9 56.6 0.7 89 94 A S E -bc 4 267A 0 177,-1.5 179,-3.0 -2,-0.4 2,-0.5 -0.680 24.9-175.7 -84.9 127.5 22.6 56.5 3.7 90 95 A V E -bc 5 268A 0 -86,-3.3 -84,-3.4 -2,-0.4 2,-0.5 -0.960 7.2-167.1-124.8 113.3 22.3 53.3 5.8 91 96 A V E -bc 6 269A 1 177,-2.7 179,-3.0 -2,-0.5 2,-0.7 -0.860 7.3-154.7-101.2 131.7 19.8 53.4 8.6 92 97 A L E -bc 7 270A 0 -86,-2.0 -84,-1.9 -2,-0.5 179,-0.2 -0.892 34.3-112.8-107.8 112.5 19.8 50.7 11.3 93 98 A G E +b 8 0A 0 177,-2.9 2,-0.2 -2,-0.7 3,-0.1 -0.250 45.4 172.1 -78.8 173.4 16.4 50.2 12.9 94 99 A G S S- 0 0 0 -84,-0.6 178,-1.7 -86,-0.6 179,-0.3 0.431 82.2 -27.2 79.8 143.2 14.5 50.2 15.1 95 100 A D > - 0 0 0 -85,-1.5 3,-1.7 176,-0.2 4,-0.1 -0.291 67.5-100.8 -65.1 158.7 11.1 49.3 13.8 96 101 A H G > S+ 0 0 0 1,-0.3 3,-2.1 40,-0.2 4,-0.3 0.629 109.5 80.8 -58.6 -18.8 9.9 49.9 10.2 97 102 A S G > S+ 0 0 2 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.834 80.0 67.7 -60.4 -30.6 8.0 53.0 11.2 98 103 A M G <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.3 3,-0.4 0.632 77.0 88.7 -63.6 -12.5 11.3 54.9 11.0 99 104 A A H <> S+ 0 0 0 -3,-2.1 4,-3.3 1,-0.2 5,-0.4 0.887 75.4 65.4 -51.6 -45.3 11.1 54.2 7.3 100 105 A I H <> S+ 0 0 5 -3,-1.4 4,-3.1 -4,-0.3 -1,-0.2 0.905 106.1 39.6 -45.4 -56.4 9.1 57.4 6.8 101 106 A G H > S+ 0 0 0 -3,-0.4 4,-2.8 -4,-0.3 5,-0.4 0.911 114.1 54.5 -63.9 -42.7 11.9 59.7 7.8 102 107 A S H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.954 117.0 36.1 -56.3 -51.8 14.6 57.6 6.0 103 108 A I H X S+ 0 0 3 -4,-3.3 4,-3.5 2,-0.2 5,-0.2 0.975 117.0 53.5 -67.9 -51.4 12.7 57.8 2.7 104 109 A S H X S+ 0 0 7 -4,-3.1 4,-2.2 -5,-0.4 -2,-0.2 0.944 110.5 45.1 -46.8 -62.9 11.5 61.4 3.3 105 110 A G H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.4 0.944 116.1 48.4 -44.6 -56.1 15.0 62.8 4.0 106 111 A H H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.4 -1,-0.2 0.895 105.8 57.2 -48.6 -52.3 16.3 60.8 1.0 107 112 A A H < S+ 0 0 6 -4,-3.5 -1,-0.2 2,-0.2 -2,-0.2 0.896 100.5 59.5 -48.8 -47.5 13.5 62.0 -1.3 108 113 A R H < S+ 0 0 132 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.958 116.1 30.7 -46.8 -65.2 14.5 65.6 -0.6 109 114 A V H < S+ 0 0 43 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.749 139.8 24.8 -68.0 -25.9 18.0 65.2 -2.0 110 115 A H >< + 0 0 47 -4,-2.9 3,-1.3 -5,-0.2 -1,-0.3 -0.596 66.9 163.0-142.0 76.4 16.9 62.5 -4.5 111 116 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.688 75.0 61.5 -68.4 -21.6 13.2 63.0 -5.3 112 117 A D T 3 S+ 0 0 85 -5,-0.1 108,-0.1 52,-0.1 -5,-0.1 0.468 81.2 124.4 -85.5 1.1 13.4 60.8 -8.4 113 118 A L < - 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0 0 35 -3,-0.3 2,-0.4 1,-0.2 -3,-0.2 0.918 37.6-176.1 41.7 64.3 -2.1 49.0 -8.8 190 195 A I < - 0 0 6 -5,-2.5 2,-0.2 -6,-0.1 -1,-0.2 -0.784 25.8-118.5 -93.6 132.8 1.2 48.9 -7.0 191 196 A K E +f 170 0A 68 -25,-0.7 -20,-1.5 -22,-0.5 2,-0.3 -0.479 48.5 150.0 -72.0 134.1 3.8 46.4 -8.5 192 197 A Y E -f 171 0A 28 -22,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.973 43.8-138.3-156.9 169.6 4.9 43.7 -6.1 193 198 A F E -f 172 0A 2 -22,-1.2 -20,-2.4 -2,-0.3 -19,-0.1 -0.820 25.1-170.6-136.9 89.8 6.1 40.1 -5.8 194 199 A S E >> -f 173 0A 0 -2,-0.4 4,-2.1 -22,-0.2 3,-1.0 -0.291 49.5 -87.7 -72.1 169.7 4.4 38.3 -3.0 195 200 A M H 3> S+ 0 0 0 -21,-2.5 4,-3.4 -22,-0.6 5,-0.2 0.845 131.1 59.9 -49.8 -34.8 5.8 34.9 -2.1 196 201 A T H 3> S+ 0 0 13 -22,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.919 106.0 46.9 -61.0 -42.7 3.4 33.4 -4.6 197 202 A E H <> S+ 0 0 45 -3,-1.0 4,-3.4 2,-0.2 5,-0.3 0.970 113.8 47.5 -61.4 -51.9 5.1 35.5 -7.4 198 203 A V H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.891 111.8 50.5 -55.1 -44.7 8.5 34.5 -6.1 199 204 A D H < S+ 0 0 21 -4,-3.4 635,-0.7 -5,-0.2 -1,-0.2 0.919 115.4 43.8 -60.7 -44.4 7.5 30.9 -5.9 200 205 A K H < S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.908 128.9 24.0 -67.9 -43.0 6.2 31.1 -9.5 201 206 A L H < S- 0 0 54 -4,-3.4 4,-0.5 -5,-0.2 -3,-0.2 0.843 99.9-118.5 -95.5 -39.0 9.1 33.1 -10.9 202 207 A G X - 0 0 29 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.259 32.3 -91.7 101.0 129.5 12.2 32.5 -8.9 203 208 A I H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 125.4 59.7 -39.1 -48.2 14.0 35.3 -7.1 204 209 A G H > S+ 0 0 3 310,-0.6 4,-1.9 1,-0.2 3,-0.5 0.937 108.9 38.8 -46.3 -66.1 16.2 35.7 -10.2 205 210 A K H > S+ 0 0 81 -4,-0.5 4,-2.3 -3,-0.2 5,-0.3 0.908 112.9 59.7 -52.1 -46.2 13.4 36.5 -12.6 206 211 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.877 104.7 48.4 -51.0 -45.2 11.7 38.6 -9.9 207 212 A M H X S+ 0 0 1 -4,-2.5 4,-3.1 -3,-0.5 -1,-0.2 0.944 107.8 55.9 -63.4 -45.9 14.7 40.9 -9.6 208 213 A E H X S+ 0 0 98 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.932 114.1 38.6 -48.3 -57.6 14.8 41.2 -13.4 209 214 A E H X S+ 0 0 44 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 0.956 113.7 55.8 -60.3 -51.0 11.2 42.5 -13.6 210 215 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.872 114.6 40.8 -48.3 -42.7 11.6 44.5 -10.4 211 216 A F H X S+ 0 0 28 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.933 116.5 44.4 -75.0 -50.1 14.6 46.2 -12.0 212 217 A S H X S+ 0 0 77 -4,-3.1 4,-1.9 -5,-0.2 5,-0.2 0.884 115.0 52.9 -64.1 -34.2 13.3 46.8 -15.5 213 218 A Y H < S+ 0 0 63 -4,-3.5 4,-0.2 -5,-0.3 -1,-0.2 0.926 120.7 29.7 -65.1 -46.9 9.9 47.9 -14.0 214 219 A L H < S+ 0 0 2 -4,-1.7 6,-0.3 -5,-0.3 -2,-0.2 0.643 137.5 25.1 -88.8 -15.9 11.5 50.5 -11.7 215 220 A L H < S+ 0 0 18 -4,-2.6 -3,-0.2 4,-0.1 -2,-0.2 0.333 85.0 107.6-129.5 5.2 14.5 51.4 -13.9 216 221 A G S < S+ 0 0 44 -4,-1.9 -3,-0.1 -5,-0.3 -2,-0.1 0.930 95.7 21.5 -49.2 -54.8 13.4 50.6 -17.4 217 222 A R S S+ 0 0 219 -4,-0.2 2,-0.3 -5,-0.2 -2,-0.1 0.965 131.9 21.5 -76.9 -84.3 13.1 54.2 -18.5 218 223 A K S S- 0 0 152 -4,-0.1 2,-1.2 1,-0.0 -1,-0.2 -0.661 71.1-133.9 -89.2 143.1 15.1 56.4 -16.1 219 224 A K + 0 0 144 -2,-0.3 -4,-0.1 -3,-0.1 3,-0.1 -0.601 42.6 171.7 -95.3 72.4 18.0 55.0 -14.1 220 225 A R - 0 0 25 -2,-1.2 -107,-0.1 -6,-0.3 -110,-0.0 -0.254 39.6 -84.0 -78.5 168.0 17.0 56.7 -10.8 221 226 A P - 0 0 21 0, 0.0 -107,-1.9 0, 0.0 2,-0.5 -0.199 45.2-125.7 -64.0 165.7 18.6 56.0 -7.4 222 227 A I E -dg 114 265A 1 42,-2.8 44,-2.6 -109,-0.2 45,-1.9 -0.963 14.2-159.8-121.8 130.0 17.3 53.1 -5.4 223 228 A H E -dg 115 267A 0 -109,-2.9 -107,-2.5 -2,-0.5 2,-0.7 -0.918 11.1-161.2-107.8 110.7 16.0 53.2 -1.9 224 229 A L E -dg 116 268A 0 43,-3.4 45,-1.8 -2,-0.7 2,-0.8 -0.821 8.8-175.2 -95.6 113.1 16.1 49.7 -0.3 225 230 A S E -dg 117 269A 0 -109,-2.2 -107,-2.2 -2,-0.7 2,-0.7 -0.882 12.1-170.8-107.1 97.7 13.8 49.4 2.7 226 231 A F E -dg 118 270A 5 43,-1.9 45,-2.2 -2,-0.8 2,-0.6 -0.831 10.0-160.2 -99.0 112.0 14.6 45.9 4.0 227 232 A D E > - g 0 271A 0 -109,-3.7 3,-2.6 -2,-0.7 4,-0.2 -0.797 15.3-142.4 -90.2 118.7 12.3 44.6 6.7 228 233 A V G > S+ 0 0 6 43,-1.0 3,-1.8 -2,-0.6 -1,-0.1 0.841 96.9 67.0 -51.6 -35.8 14.1 41.8 8.4 229 234 A D G 3 S+ 0 0 2 1,-0.3 14,-0.4 -111,-0.1 -1,-0.3 0.572 79.0 86.1 -66.7 -2.2 10.9 39.8 8.8 230 235 A G G < S+ 0 0 0 -3,-2.6 17,-1.8 -112,-0.3 -1,-0.3 0.698 78.6 70.1 -69.5 -22.4 10.9 39.4 5.1 231 236 A L B < S-j 247 0D 0 -3,-1.8 12,-0.3 15,-0.2 17,-0.2 -0.663 108.3 -82.6 -92.0 154.9 13.1 36.3 5.3 232 237 A D >> - 0 0 23 15,-3.1 3,-2.5 14,-0.3 4,-2.0 -0.213 42.0-113.0 -53.8 146.2 11.7 33.2 6.7 233 238 A P T 34 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.651 112.5 80.4 -55.8 -14.0 11.8 33.2 10.5 234 239 A V T 34 S+ 0 0 81 2,-0.2 -2,-0.1 1,-0.2 15,-0.0 0.499 110.1 18.5 -72.8 -5.4 14.3 30.4 10.0 235 240 A F T <4 S+ 0 0 45 -3,-2.5 55,-0.3 -4,-0.1 3,-0.2 0.545 136.3 36.4-129.5 -39.0 16.9 33.1 9.3 236 241 A T S < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -5,-0.1 -0.434 70.4 147.5-115.4 55.1 15.5 36.3 10.7 237 242 A P + 0 0 14 0, 0.0 2,-1.9 0, 0.0 -1,-0.2 0.808 50.8 80.9 -60.4 -34.0 13.8 34.8 13.8 238 243 A A S S+ 0 0 1 45,-0.3 36,-2.8 -3,-0.2 2,-0.3 -0.435 70.9 103.4 -80.1 71.1 14.2 37.8 16.1 239 244 A T S S- 0 0 4 -2,-1.9 34,-0.1 38,-0.2 33,-0.0 -0.946 71.4-123.7-143.0 164.5 11.4 40.1 14.9 240 245 A G S S+ 0 0 17 32,-0.3 33,-0.1 -2,-0.3 -1,-0.0 0.663 106.4 43.4 -83.7 -16.0 8.0 41.3 16.1 241 246 A T S S+ 0 0 39 31,-0.2 -1,-0.2 2,-0.0 -121,-0.1 -0.104 73.9 173.9-123.0 38.9 6.1 40.2 13.0 242 247 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -10,-0.1 -0.160 6.2-175.7 -51.8 132.4 7.4 36.7 12.0 243 248 A V - 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