==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-SEP-12 4GWD . COMPND 2 MOLECULE: ARGINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.L.D'ANTONIO,Y.HAI,D.W.CHRISTIANSON . 628 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 2 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 . 1 0.2 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 . 57 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 0 0 2 2 1 0 2 0 0 0 2 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 4 4 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 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 2 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 5 A S 0 0 100 0, 0.0 2,-0.8 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 139.3 18.6 -45.1 7.5 2 6 A R E -a 41 0A 81 38,-0.5 40,-1.2 298,-0.1 2,-0.5 -0.822 360.0-160.8 -95.1 108.7 18.6 -41.7 5.8 3 7 A T E -a 42 0A 18 -2,-0.8 86,-3.7 84,-0.2 2,-0.3 -0.786 10.3-161.5 -92.6 126.0 15.5 -41.3 3.7 4 8 A I E -ab 43 89A 0 38,-2.9 40,-1.5 -2,-0.5 2,-0.5 -0.741 15.9-153.6-110.1 154.0 15.8 -38.6 1.0 5 9 A G E -ab 44 90A 0 84,-2.9 86,-3.0 -2,-0.3 2,-0.3 -0.906 19.1-147.6-128.8 100.9 13.2 -36.7 -1.0 6 10 A I E -ab 45 91A 0 38,-2.4 40,-3.1 -2,-0.5 2,-0.4 -0.526 15.9-176.4 -73.5 129.2 14.6 -35.5 -4.3 7 11 A I E - b 0 92A 0 84,-2.7 86,-1.7 -2,-0.3 2,-0.3 -0.889 14.7-150.9-129.9 100.2 13.1 -32.2 -5.6 8 12 A G E -ab 48 93A 0 39,-2.0 41,-3.3 -2,-0.4 86,-0.2 -0.562 13.0-174.0 -70.9 128.0 14.3 -31.0 -9.0 9 13 A A - 0 0 0 84,-2.9 2,-2.3 -2,-0.3 86,-0.2 -0.584 4.2-177.3-124.3 69.8 14.1 -27.2 -9.1 10 14 A P + 0 0 36 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.394 33.6 136.1 -68.5 76.6 14.9 -26.0 -12.7 11 15 A F + 0 0 14 -2,-2.3 85,-1.5 9,-0.2 12,-0.1 -0.958 23.4 160.7-128.2 145.6 14.8 -22.3 -12.1 12 16 A S > + 0 0 14 -2,-0.4 3,-2.2 83,-0.2 2,-0.2 0.535 47.7 100.6-135.6 -17.4 17.1 -19.4 -13.2 13 17 A K T 3 + 0 0 70 1,-0.3 123,-0.3 5,-0.1 56,-0.2 0.273 67.2 79.9 -63.2 15.7 15.3 -16.1 -13.0 14 18 A G T 3 S+ 0 0 2 -2,-0.2 123,-2.6 1,-0.1 124,-0.3 0.548 108.3 17.2 -94.0 -11.5 17.0 -15.2 -9.7 15 19 A Q S < S- 0 0 8 -3,-2.2 -1,-0.1 121,-0.2 81,-0.1 -0.952 89.0-100.4-150.7 164.8 20.0 -14.2 -11.8 16 20 A P S S+ 0 0 93 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.765 91.9 80.6 -62.7 -34.1 20.8 -13.3 -15.4 17 21 A R > - 0 0 102 1,-0.1 3,-0.8 -5,-0.1 -3,-0.1 -0.686 58.8-162.8 -87.2 120.1 22.3 -16.5 -16.8 18 22 A G G > + 0 0 31 -2,-0.6 3,-1.8 1,-0.2 4,-0.2 0.640 69.8 86.0 -74.3 -18.3 19.8 -19.2 -17.8 19 23 A G G > S+ 0 0 17 1,-0.3 3,-1.8 2,-0.1 -1,-0.2 0.690 72.2 80.4 -58.2 -16.9 21.9 -22.3 -18.0 20 24 A V G X S+ 0 0 0 -3,-0.8 3,-1.6 1,-0.3 -1,-0.3 0.695 74.4 73.1 -64.7 -19.3 21.4 -22.9 -14.3 21 25 A E G < S+ 0 0 75 -3,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.647 87.9 66.1 -69.3 -13.4 18.0 -24.4 -14.9 22 26 A E G <> S+ 0 0 88 -3,-1.8 4,-2.3 -4,-0.2 5,-0.3 0.472 70.9 98.3 -86.5 -3.5 19.8 -27.5 -16.2 23 27 A G H <> S+ 0 0 0 -3,-1.6 4,-2.2 251,-0.3 5,-0.3 0.932 82.0 48.0 -49.7 -55.6 21.3 -28.3 -12.9 24 28 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.890 112.5 52.4 -53.4 -41.1 18.7 -31.0 -12.0 25 29 A T H > S+ 0 0 68 -4,-0.3 4,-1.9 1,-0.2 3,-0.2 0.954 112.6 39.2 -60.5 -58.0 19.2 -32.5 -15.4 26 30 A V H X S+ 0 0 29 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.797 114.7 54.7 -67.5 -28.6 23.0 -33.0 -15.5 27 31 A L H <>S+ 0 0 1 -4,-2.2 5,-1.5 -5,-0.3 -1,-0.2 0.811 110.3 46.4 -74.4 -30.2 23.1 -34.0 -11.8 28 32 A R H ><5S+ 0 0 42 -4,-1.6 3,-1.1 -5,-0.3 6,-0.2 0.839 112.2 49.1 -78.7 -35.4 20.6 -36.8 -12.4 29 33 A K H 3<5S+ 0 0 166 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.629 99.8 67.1 -78.0 -12.6 22.4 -38.0 -15.6 30 34 A A T 3<5S- 0 0 25 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.498 124.2-107.8 -81.0 -4.5 25.6 -37.9 -13.5 31 35 A G T <>5 + 0 0 13 -3,-1.1 4,-2.9 3,-0.1 5,-0.2 0.763 66.6 152.4 85.6 28.7 23.9 -40.8 -11.6 32 36 A L H > S+ 0 0 23 -5,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 115.9 49.4 -63.5 -44.9 19.9 -41.1 -7.5 34 38 A E H > S+ 0 0 95 -6,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.937 112.4 46.6 -59.5 -50.3 21.7 -44.3 -8.5 35 39 A K H < S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.1 53.3 -63.6 -34.6 24.8 -43.5 -6.4 36 40 A L H ><>S+ 0 0 0 -4,-2.0 3,-0.9 -5,-0.2 5,-0.9 0.857 110.2 48.4 -68.1 -35.2 22.6 -42.5 -3.4 37 41 A K H 3<5S+ 0 0 130 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.820 97.0 69.0 -72.6 -30.7 20.9 -45.9 -3.7 38 42 A E T 3<5S+ 0 0 148 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.2 0.541 102.2 58.4 -64.7 -4.2 24.4 -47.5 -3.9 39 43 A Q T < 5S- 0 0 35 -3,-0.9 2,-2.0 -5,-0.2 262,-0.1 -0.645 118.4 -87.2-113.4 172.0 24.5 -46.4 -0.3 40 44 A E T 5S+ 0 0 129 -2,-0.2 -38,-0.5 2,-0.1 2,-0.4 -0.191 83.4 138.7 -79.2 51.1 22.0 -47.5 2.4 41 45 A C E < -a 2 0A 17 -2,-2.0 2,-0.9 -5,-0.9 -38,-0.2 -0.828 53.0-142.1-103.3 134.0 19.8 -44.6 1.3 42 46 A D E -a 3 0A 72 -40,-1.2 -38,-2.9 -2,-0.4 2,-0.5 -0.817 31.8-168.3 -92.1 104.7 16.0 -44.6 0.9 43 47 A V E +a 4 0A 11 -2,-0.9 2,-0.4 -40,-0.2 -38,-0.2 -0.850 18.0 177.5-108.1 127.6 15.4 -42.4 -2.2 44 48 A K E -a 5 0A 107 -40,-1.5 -38,-2.4 -2,-0.5 2,-0.6 -0.985 18.9-146.8-127.3 122.2 12.2 -40.9 -3.5 45 49 A D E -a 6 0A 72 -2,-0.4 -38,-0.2 -40,-0.2 3,-0.1 -0.788 14.5-177.1 -92.4 116.7 12.1 -38.6 -6.5 46 50 A Y E - 0 0 70 -40,-3.1 -39,-0.1 -2,-0.6 -1,-0.1 0.381 46.1-129.9 -89.9 3.1 9.4 -35.9 -6.4 47 51 A G E - 0 0 24 -41,-0.2 -39,-2.0 2,-0.1 2,-0.7 0.001 35.1 -42.2 78.7 177.0 10.5 -34.8 -9.9 48 52 A D E -a 8 0A 67 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.0 -0.755 63.5-119.9 -84.9 114.2 11.5 -31.5 -11.5 49 53 A L - 0 0 17 -41,-3.3 2,-0.8 -2,-0.7 -2,-0.1 -0.374 22.1-129.1 -57.6 113.3 9.0 -28.9 -10.4 50 54 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.540 32.0-144.0 -68.0 106.4 7.3 -27.6 -13.5 51 55 A F - 0 0 42 -2,-0.8 2,-0.2 -41,-0.2 21,-0.1 -0.573 10.3-112.5 -83.3 136.7 7.8 -23.9 -13.0 52 56 A A - 0 0 48 -2,-0.3 2,-0.6 16,-0.1 20,-0.1 -0.435 23.1-136.5 -67.0 126.3 5.2 -21.2 -14.0 53 57 A D - 0 0 128 -2,-0.2 -1,-0.1 1,-0.0 15,-0.0 -0.764 17.5-166.3 -85.5 119.0 6.3 -18.9 -16.8 54 58 A I + 0 0 39 -2,-0.6 14,-0.2 1,-0.2 13,-0.1 -0.797 11.5 177.0-113.5 89.9 5.3 -15.4 -15.9 55 59 A P S S+ 0 0 105 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.801 74.1 60.8 -57.8 -38.5 5.5 -13.2 -19.1 56 60 A N + 0 0 136 1,-0.1 11,-0.0 2,-0.0 0, 0.0 -0.825 68.3 122.7 -97.0 98.6 4.3 -10.1 -17.4 57 61 A D + 0 0 18 -2,-1.0 8,-0.5 10,-0.1 11,-0.1 -0.387 33.2 177.4-159.6 68.6 6.8 -9.5 -14.6 58 62 A S - 0 0 84 1,-0.2 9,-0.2 7,-0.1 5,-0.0 -0.279 42.6 -78.2 -72.3 160.6 8.5 -6.1 -14.8 59 63 A P - 0 0 80 0, 0.0 2,-0.7 0, 0.0 5,-0.2 -0.131 30.0-135.8 -59.4 155.1 11.0 -5.0 -12.2 60 64 A F B > S-H 63 0B 41 3,-2.2 3,-2.2 -3,-0.1 2,-0.4 -0.964 75.8 -53.4-111.0 105.0 10.0 -3.8 -8.7 61 65 A Q T 3 S- 0 0 116 -2,-0.7 68,-0.1 1,-0.3 0, 0.0 -0.460 125.9 -20.6 60.0-112.7 12.2 -0.7 -8.4 62 66 A I T 3 S+ 0 0 60 -2,-0.4 -1,-0.3 66,-0.3 2,-0.3 0.691 112.2 111.6 -96.5 -21.9 15.6 -2.4 -9.1 63 67 A V B < -H 60 0B 0 -3,-2.2 -3,-2.2 65,-0.2 2,-0.3 -0.363 59.0-144.2 -61.5 119.3 14.4 -6.0 -8.3 64 68 A K - 0 0 91 70,-2.6 72,-0.4 -2,-0.3 -6,-0.1 -0.680 68.4 -6.8 -93.4 136.7 14.3 -8.2 -11.5 65 69 A N S > S+ 0 0 53 -8,-0.5 4,-2.4 -2,-0.3 5,-0.2 0.833 73.6 161.9 52.9 43.8 11.7 -11.0 -12.1 66 70 A P H > S+ 0 0 0 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.901 70.1 47.7 -58.6 -45.0 10.1 -10.8 -8.7 67 71 A R H > S+ 0 0 82 -9,-0.2 4,-1.7 2,-0.2 5,-0.2 0.863 113.6 48.0 -66.3 -36.1 6.9 -12.5 -9.5 68 72 A S H > S+ 0 0 4 2,-0.2 4,-2.2 -14,-0.2 -1,-0.2 0.919 118.2 41.1 -68.6 -45.0 8.7 -15.4 -11.3 69 73 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -56,-0.2 5,-0.2 0.931 114.9 50.4 -68.3 -47.9 11.1 -15.8 -8.4 70 74 A G H X S+ 0 0 0 -4,-3.6 4,-1.4 86,-0.3 -1,-0.2 0.841 113.9 46.4 -59.9 -34.4 8.4 -15.3 -5.7 71 75 A K H X S+ 0 0 85 -4,-1.7 4,-3.2 -5,-0.2 -1,-0.2 0.917 108.7 53.1 -74.0 -46.9 6.2 -17.9 -7.4 72 76 A A H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.867 114.0 44.0 -57.3 -38.7 9.0 -20.5 -7.9 73 77 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.848 111.2 53.0 -75.5 -35.4 9.8 -20.3 -4.2 74 78 A E H X S+ 0 0 65 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.943 113.5 44.7 -63.8 -44.7 6.2 -20.4 -3.1 75 79 A Q H >X S+ 0 0 36 -4,-3.2 4,-1.7 1,-0.2 3,-0.6 0.973 114.4 48.0 -60.6 -56.8 5.8 -23.5 -5.2 76 80 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.858 106.3 58.1 -53.1 -41.0 9.1 -25.1 -3.9 77 81 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.909 104.7 51.7 -58.1 -42.1 8.1 -24.3 -0.3 78 82 A G H X S+ 0 0 64 -4,-1.7 4,-2.2 2,-0.2 3,-1.1 0.959 110.8 53.3 -62.1 -53.8 6.8 -29.4 -2.0 80 84 A V H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.893 108.7 50.6 -48.4 -45.9 9.6 -29.2 0.5 81 85 A A H 3X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.3 0.798 108.4 55.5 -63.8 -27.8 7.0 -29.2 3.3 82 86 A E H S+ 0 0 0 -4,-2.2 5,-1.6 2,-0.2 3,-0.3 0.861 113.7 52.6 -69.2 -33.9 8.5 -34.4 1.7 84 88 A K H ><5S+ 0 0 19 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 0.899 105.8 53.6 -66.8 -38.0 9.2 -33.2 5.3 85 89 A K H 3<5S+ 0 0 139 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.733 104.3 59.0 -65.5 -20.3 5.7 -34.3 6.2 86 90 A N T 3<5S- 0 0 86 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.150 120.0-109.8 -94.0 16.4 6.7 -37.6 4.6 87 91 A G T < 5S+ 0 0 58 -3,-1.8 2,-0.3 1,-0.2 -84,-0.2 0.830 77.1 125.0 59.0 38.5 9.6 -38.1 7.1 88 92 A R < - 0 0 38 -5,-1.6 2,-0.5 -86,-0.1 -84,-0.3 -0.923 67.4-111.0-128.0 152.3 12.3 -37.6 4.4 89 93 A I E -b 4 0A 5 -86,-3.7 -84,-2.9 -2,-0.3 2,-0.3 -0.711 39.7-126.2 -80.4 122.4 15.3 -35.2 4.1 90 94 A S E -bc 5 268A 0 177,-1.5 179,-2.6 -2,-0.5 2,-0.6 -0.560 22.0-165.7 -73.9 127.3 14.5 -32.8 1.3 91 95 A L E -bc 6 269A 0 -86,-3.0 -84,-2.7 -2,-0.3 2,-0.8 -0.892 4.3-164.3-116.9 100.2 17.2 -32.6 -1.4 92 96 A V E -bc 7 270A 0 177,-2.9 179,-2.5 -2,-0.6 2,-1.1 -0.760 4.7-164.7 -88.6 108.8 16.7 -29.6 -3.5 93 97 A L E -bc 8 271A 1 -86,-1.7 -84,-2.9 -2,-0.8 179,-0.2 -0.817 34.4-175.3 -90.0 102.6 18.7 -29.9 -6.8 94 98 A G - 0 0 1 177,-2.3 180,-0.2 -2,-1.1 2,-0.1 -0.129 42.5-145.8-101.2-169.7 18.4 -26.3 -7.8 95 99 A G S S+ 0 0 0 1,-0.6 178,-2.8 -86,-0.2 179,-0.2 0.154 82.2 2.0-113.7-123.2 19.1 -23.6 -10.3 96 100 A D S > S- 0 0 0 -85,-1.5 3,-1.3 176,-0.2 -1,-0.6 -0.162 74.6-112.1 -70.1 159.2 19.9 -20.2 -8.7 97 101 A H G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.1 4,-0.2 0.479 100.0 87.7 -70.3 -4.5 20.1 -19.6 -4.9 98 102 A S G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.796 75.9 73.4 -64.5 -24.6 17.0 -17.4 -4.8 99 103 A L G <> S+ 0 0 1 -3,-1.3 4,-2.7 1,-0.3 3,-0.3 0.613 72.2 83.9 -62.5 -15.0 15.1 -20.7 -4.3 100 104 A A H <>>S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 5,-0.5 0.840 81.0 64.5 -60.0 -30.6 16.5 -20.9 -0.8 101 105 A I H <>5S+ 0 0 0 -3,-1.8 4,-1.5 -4,-0.2 -1,-0.2 0.954 110.2 35.5 -57.5 -49.3 13.6 -18.6 0.1 102 106 A G H >5S+ 0 0 0 -4,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.880 118.2 52.1 -72.6 -38.1 11.1 -21.4 -0.8 103 107 A S H X5S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.961 115.5 37.8 -63.9 -54.6 13.3 -24.3 0.4 104 108 A I H X5S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.878 115.9 55.7 -66.4 -35.6 14.0 -22.9 3.9 105 109 A S H XX S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 3,-0.9 0.957 108.3 49.3 -63.1 -51.2 11.3 -26.7 5.7 108 112 A A H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.721 98.4 67.3 -62.7 -25.4 10.5 -24.3 8.6 109 113 A R H 3< S+ 0 0 126 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.901 114.6 30.7 -61.5 -38.1 6.7 -24.9 8.2 110 114 A V H << S+ 0 0 41 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.786 137.1 25.6 -90.3 -31.6 7.3 -28.5 9.4 111 115 A H >< + 0 0 56 -4,-2.2 3,-2.1 -5,-0.1 -1,-0.2 -0.574 64.1 176.6-133.6 72.0 10.3 -27.9 11.7 112 116 A P T 3 S+ 0 0 100 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.572 77.7 64.2 -53.1 -7.6 10.1 -24.2 12.9 113 117 A D T 3 S+ 0 0 82 -3,-0.1 -5,-0.1 52,-0.1 52,-0.0 0.269 74.0 133.9-103.3 13.1 13.2 -24.9 15.1 114 118 A L < - 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0 0 1 12,-1.8 16,-0.4 4,-0.1 56,-0.0 -0.382 47.8-137.5 -66.7 148.7 21.0 -8.0 0.3 127 131 A T >> - 0 0 8 15,-0.1 4,-2.8 14,-0.1 3,-1.1 -0.642 30.2-100.0-102.6 164.7 17.6 -6.4 0.7 128 132 A P T 34 S+ 0 0 1 0, 0.0 -66,-0.3 0, 0.0 -65,-0.2 0.743 129.4 44.6 -55.6 -19.1 15.5 -5.0 -2.2 129 133 A L T 34 S+ 0 0 99 22,-0.3 23,-0.1 1,-0.1 -3,-0.0 0.615 115.9 42.7-100.6 -16.8 16.9 -1.7 -1.0 130 134 A T T <4 S+ 0 0 50 -3,-1.1 51,-0.2 -5,-0.0 52,-0.1 0.669 88.9 101.1-100.9 -23.0 20.5 -2.6 -0.5 131 135 A T < - 0 0 9 -4,-2.8 -69,-0.1 1,-0.1 5,-0.0 -0.344 45.5-174.9 -61.5 140.7 21.0 -4.7 -3.6 132 136 A T S S+ 0 0 119 3,-0.1 -1,-0.1 -70,-0.0 -3,-0.0 0.560 84.2 47.9-110.8 -15.4 22.8 -2.9 -6.4 133 137 A S S S- 0 0 26 2,-0.1 3,-0.1 5,-0.0 -2,-0.1 0.728 92.8-139.9 -94.0 -29.4 22.4 -5.6 -9.0 134 138 A G + 0 0 0 1,-0.3 -70,-2.6 -71,-0.1 2,-0.5 0.470 54.5 138.3 81.3 0.6 18.7 -6.3 -8.5 135 139 A N > - 0 0 25 494,-0.4 3,-1.4 -72,-0.2 -1,-0.3 -0.696 49.1-147.6 -84.2 125.8 19.3 -10.0 -8.8 136 140 A L G > S+ 0 0 0 -2,-0.5 3,-1.7 -72,-0.4 -121,-0.2 0.615 88.4 75.4 -68.8 -14.6 17.3 -12.1 -6.3 137 141 A H G 3 S+ 0 0 5 -123,-2.6 -1,-0.3 1,-0.3 -122,-0.1 0.673 97.3 51.8 -71.5 -13.7 19.8 -14.9 -5.9 138 142 A G G < S+ 0 0 0 -3,-1.4 -12,-1.8 -124,-0.3 -1,-0.3 0.136 109.9 50.3-105.1 17.0 21.8 -12.4 -3.8 139 143 A Q X> + 0 0 0 -3,-1.7 3,-1.2 -14,-0.2 4,-0.8 0.452 68.5 107.1-131.5 -5.6 18.8 -11.6 -1.6 140 144 A P H >> S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.834 79.1 54.9 -47.4 -42.8 17.3 -14.9 -0.3 141 145 A V H >> S+ 0 0 2 -17,-2.3 4,-1.2 1,-0.2 3,-0.7 0.828 99.8 60.9 -64.3 -30.2 18.5 -14.6 3.3 142 146 A S H <4 S+ 0 0 2 -3,-1.2 -1,-0.2 -18,-0.6 9,-0.1 0.804 102.2 52.6 -66.7 -27.9 17.0 -11.1 3.8 143 147 A F H << S+ 0 0 9 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.686 110.8 47.8 -79.5 -18.7 13.5 -12.5 3.2 144 148 A L H << S+ 0 0 2 -4,-0.7 21,-2.0 -3,-0.7 2,-0.5 0.647 87.1 96.0 -97.3 -18.4 13.9 -15.2 5.8 145 149 A L B >< -i 165 0C 0 -4,-1.2 3,-1.1 18,-0.2 21,-0.2 -0.649 57.9-155.6 -83.2 122.9 15.3 -13.2 8.7 146 150 A K G > S+ 0 0 98 19,-2.1 3,-1.9 -2,-0.5 -1,-0.1 0.879 93.2 59.7 -58.6 -43.0 12.7 -12.1 11.3 147 151 A E G 3 S+ 0 0 46 1,-0.3 -1,-0.3 18,-0.3 19,-0.1 0.675 101.4 56.2 -62.5 -17.6 14.9 -9.1 12.5 148 152 A L G X S+ 0 0 12 -3,-1.1 3,-2.0 -6,-0.1 2,-0.4 0.424 74.9 116.5 -95.5 -0.4 14.8 -7.7 9.0 149 153 A K T < S+ 0 0 124 -3,-1.9 -6,-0.0 1,-0.3 -3,-0.0 -0.578 74.9 39.4 -70.2 123.1 11.0 -7.6 8.8 150 154 A G T 3 S+ 0 0 55 -2,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.273 108.4 66.3 114.7 -3.8 10.3 -3.9 8.4 151 155 A K S < S+ 0 0 124 -3,-2.0 -22,-0.3 -9,-0.1 -2,-0.2 0.309 84.5 77.8-124.2 -2.3 13.2 -3.4 6.1 152 156 A I S S- 0 0 38 -4,-0.4 -2,-0.3 -25,-0.1 -1,-0.1 -0.960 76.0-142.6-113.1 115.9 11.9 -5.5 3.2 153 157 A P - 0 0 32 0, 0.0 2,-1.2 0, 0.0 -2,-0.1 -0.334 39.1 -81.4 -73.4 160.4 9.2 -3.7 1.1 154 158 A D - 0 0 159 -2,-0.0 5,-0.1 1,-0.0 3,-0.0 -0.487 55.2-167.0 -67.3 98.2 6.2 -5.6 -0.3 155 159 A V > - 0 0 9 -2,-1.2 3,-2.0 3,-0.1 4,-0.1 -0.751 28.8-103.7 -90.4 129.2 7.8 -7.1 -3.4 156 160 A P T 3 S+ 0 0 40 0, 0.0 -86,-0.3 0, 0.0 -1,-0.1 -0.262 106.3 26.9 -53.7 125.5 5.4 -8.6 -5.9 157 161 A G T 3 S+ 0 0 31 -87,-0.1 -83,-0.2 -88,-0.1 3,-0.1 0.329 106.9 75.8 104.2 -5.2 5.4 -12.4 -5.7 158 162 A F X + 0 0 12 -3,-2.0 3,-1.6 1,-0.1 -3,-0.1 0.192 48.6 110.5-124.7 19.7 6.4 -12.7 -2.0 159 163 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -4,-0.1 -5,-0.0 0.788 78.5 61.3 -63.8 -25.2 3.3 -11.8 -0.0 160 164 A W T 3 S+ 0 0 42 -3,-0.1 -1,-0.3 -90,-0.1 2,-0.1 0.655 86.2 104.1 -73.4 -17.3 3.1 -15.5 1.0 161 165 A V < + 0 0 21 -3,-1.6 -17,-0.1 3,-0.0 -3,-0.1 -0.367 43.7 176.5 -71.2 144.9 6.5 -15.1 2.7 162 166 A T - 0 0 95 -2,-0.1 -16,-0.1 -19,-0.0 -19,-0.0 -0.901 39.8-107.7-149.7 115.1 6.9 -14.9 6.4 163 167 A P + 0 0 24 0, 0.0 -19,-0.2 0, 0.0 -18,-0.2 -0.177 38.0 178.9 -44.8 121.0 10.4 -14.7 8.1 164 168 A C + 0 0 26 -20,-0.5 2,-0.3 1,-0.1 -19,-0.1 0.654 53.1 53.6-105.2 -18.4 11.0 -18.1 9.7 165 169 A I B -i 145 0C 7 -21,-2.0 -19,-2.1 -52,-0.0 -18,-0.3 -0.903 68.1-130.9-125.3 153.4 14.5 -17.8 11.2 166 170 A S > - 0 0 19 -2,-0.3 3,-2.1 -21,-0.2 4,-0.1 -0.549 33.1-108.2 -91.3 159.1 16.4 -15.5 13.6 167 171 A A G > S+ 0 0 1 1,-0.3 3,-0.7 -2,-0.2 25,-0.5 0.753 119.2 56.1 -57.5 -27.0 19.8 -14.1 12.9 168 172 A K G 3 S+ 0 0 121 1,-0.2 -1,-0.3 23,-0.1 22,-0.0 0.463 94.2 68.6 -87.4 -0.2 21.3 -16.3 15.5 169 173 A D G < S+ 0 0 25 -3,-2.1 -53,-3.0 -54,-0.1 2,-0.4 0.279 92.3 72.5 -98.9 9.4 19.9 -19.5 13.9 170 174 A I E < -e 116 0A 4 -3,-0.7 22,-0.7 -55,-0.2 2,-0.4 -0.961 55.2-169.1-130.7 145.2 22.3 -19.2 10.9 171 175 A V E -ef 117 192A 0 -55,-2.1 -53,-3.1 -2,-0.4 2,-0.3 -0.998 12.1-148.6-133.2 130.6 26.0 -19.7 10.2 172 176 A Y E -ef 118 193A 0 20,-1.6 22,-1.6 -2,-0.4 2,-0.4 -0.763 12.6-175.1 -98.2 143.9 27.9 -18.8 7.1 173 177 A I E +ef 119 194A 0 -55,-2.4 -53,-2.0 -2,-0.3 22,-0.2 -0.986 64.2 21.5-139.4 125.5 30.9 -20.7 5.9 174 178 A G S S+ 0 0 0 20,-2.1 21,-0.2 -2,-0.4 22,-0.2 0.328 71.0 165.0 106.8 -6.1 33.1 -19.7 2.9 175 179 A L + 0 0 2 19,-0.5 21,-3.0 1,-0.1 22,-0.3 -0.104 15.2 138.0 -51.4 134.9 32.5 -15.9 2.6 176 180 A R + 0 0 53 -55,-2.7 -54,-0.2 19,-0.2 -1,-0.1 0.336 66.4 51.0-155.8 -3.6 34.9 -13.9 0.5 177 181 A D + 0 0 69 -56,-2.1 2,-0.4 67,-0.1 -54,-0.3 -0.607 65.4 156.9-144.6 78.7 32.7 -11.4 -1.6 178 182 A V - 0 0 43 -56,-0.2 -56,-0.1 -2,-0.1 -57,-0.0 -0.873 36.6-127.5-107.5 133.4 30.3 -9.5 0.7 179 183 A D > - 0 0 34 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.365 27.9-107.7 -76.2 159.8 28.8 -6.1 -0.2 180 184 A P H > S+ 0 0 111 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.917 119.2 45.1 -53.2 -50.7 29.1 -3.2 2.2 181 185 A G H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.848 111.6 54.3 -63.9 -33.8 25.4 -3.1 3.2 182 186 A E H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 108.3 49.4 -65.1 -41.5 25.6 -6.9 3.6 183 187 A H H X S+ 0 0 90 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.929 108.5 52.3 -63.0 -45.1 28.5 -6.5 6.0 184 188 A Y H X S+ 0 0 137 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.883 109.4 50.5 -56.4 -41.7 26.7 -3.8 8.0 185 189 A I H X S+ 0 0 12 -4,-2.0 4,-2.9 2,-0.2 6,-0.3 0.912 108.9 52.4 -64.2 -42.9 23.8 -6.3 8.3 186 190 A L H X>S+ 0 0 2 -4,-2.2 5,-1.8 1,-0.2 4,-1.0 0.963 115.6 38.7 -56.4 -56.7 26.1 -9.0 9.5 187 191 A K H <5S+ 0 0 95 -4,-2.5 145,-1.0 3,-0.2 -2,-0.2 0.883 118.2 49.5 -62.8 -42.0 27.7 -6.9 12.2 188 192 A T H <5S+ 0 0 12 -4,-2.8 145,-0.6 -5,-0.3 144,-0.4 0.905 117.4 37.6 -67.8 -43.7 24.4 -5.2 13.2 189 193 A L H <5S- 0 0 17 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.543 107.5-125.3 -84.6 -7.7 22.3 -8.4 13.5 190 194 A G T <5 - 0 0 17 -4,-1.0 2,-0.2 -5,-0.3 -3,-0.2 0.847 39.4-177.0 67.8 36.5 25.3 -10.3 15.0 191 195 A I < - 0 0 6 -5,-1.8 2,-0.4 -6,-0.3 -1,-0.2 -0.474 25.6-123.2 -71.2 133.9 25.2 -13.1 12.5 192 196 A K E +f 171 0A 64 -22,-0.7 -20,-1.6 -25,-0.5 2,-0.3 -0.621 43.6 162.9 -77.9 126.6 27.8 -15.9 13.2 193 197 A Y E -f 172 0A 49 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.970 38.0-152.1-146.6 160.4 30.1 -16.4 10.2 194 198 A F E -f 173 0A 2 -22,-1.6 -20,-2.1 -2,-0.3 -19,-0.5 -0.858 24.4-170.4-132.3 92.6 33.4 -18.0 9.1 195 199 A S >> - 0 0 22 -2,-0.4 4,-1.8 -21,-0.2 3,-0.7 -0.190 48.7 -87.9 -72.8 176.5 34.7 -16.1 6.1 196 200 A M H 3> S+ 0 0 18 -21,-3.0 4,-2.3 1,-0.2 5,-0.1 0.763 130.0 63.4 -59.3 -21.9 37.7 -17.5 4.2 197 201 A T H 3> S+ 0 0 78 -22,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.913 104.4 43.0 -68.8 -43.4 39.8 -15.6 6.8 198 202 A E H <>>S+ 0 0 39 -3,-0.7 4,-2.7 2,-0.2 5,-0.5 0.812 111.8 54.7 -72.4 -30.6 38.5 -17.6 9.7 199 203 A V H X5S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.946 111.7 45.3 -65.6 -45.6 38.8 -20.8 7.7 200 204 A D H <5S+ 0 0 124 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.882 116.8 45.1 -62.4 -42.4 42.5 -19.9 7.1 201 205 A R H <5S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.952 128.6 21.3 -67.7 -51.0 43.1 -18.9 10.7 202 206 A L H <5S- 0 0 65 -4,-2.7 4,-0.5 -5,-0.1 -3,-0.2 0.788 101.7-119.8 -91.6 -32.4 41.4 -21.9 12.5 203 207 A G X< - 0 0 29 -4,-2.3 4,-2.3 -5,-0.5 5,-0.1 -0.035 32.0 -87.4 99.6 150.5 41.2 -24.7 9.9 204 208 A I H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.766 125.1 63.3 -64.9 -24.9 38.0 -26.3 8.6 205 209 A G H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.983 109.5 35.7 -62.9 -57.4 38.2 -28.7 11.6 206 210 A K H > S+ 0 0 85 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.895 113.9 60.4 -62.8 -40.0 37.8 -26.1 14.3 207 211 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.926 109.6 41.4 -53.9 -46.7 35.4 -24.1 12.0 208 212 A M H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.859 111.3 56.4 -71.0 -34.8 33.0 -27.1 11.9 209 213 A E H X S+ 0 0 117 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.963 113.7 40.4 -58.9 -50.3 33.5 -27.7 15.6 210 214 A E H X S+ 0 0 36 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.876 112.2 54.9 -67.2 -41.0 32.4 -24.2 16.4 211 215 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 5,-0.2 0.951 112.3 42.2 -60.1 -48.1 29.6 -24.1 13.8 212 216 A L H X S+ 0 0 26 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.840 115.0 49.9 -68.4 -33.8 27.8 -27.2 15.1 213 217 A S H < S+ 0 0 76 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.824 110.2 52.9 -72.4 -31.6 28.3 -26.2 18.7 214 218 A Y H < S+ 0 0 70 -4,-2.1 3,-0.4 -5,-0.2 4,-0.2 0.892 119.4 32.2 -69.1 -42.9 26.9 -22.7 17.9 215 219 A L H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 4,-0.2 0.872 125.1 40.6 -84.2 -40.8 23.8 -24.1 16.3 216 220 A L S < S+ 0 0 36 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.050 87.0 117.7 -98.8 32.0 23.2 -27.2 18.4 217 221 A G S S+ 0 0 52 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.993 80.3 20.9 -61.5 -76.2 24.1 -25.5 21.5 218 222 A R S S- 0 0 209 -4,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.635 137.2 -6.1 -72.4 -15.5 21.2 -25.4 23.9 219 223 A K S S- 0 0 134 -4,-0.2 -1,-0.2 2,-0.0 2,-0.1 -0.935 74.8 -93.7-175.8 150.7 19.5 -28.4 22.1 220 224 A K + 0 0 164 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.443 52.1 166.6 -67.3 146.6 19.7 -30.8 19.1 221 225 A R - 0 0 34 -2,-0.1 -107,-0.1 -106,-0.0 -106,-0.1 -0.986 42.0 -74.7-159.9 156.9 17.6 -29.5 16.2 222 226 A P - 0 0 22 0, 0.0 -107,-2.2 0, 0.0 2,-0.4 -0.252 47.7-139.6 -56.4 140.1 17.0 -30.1 12.5 223 227 A I E -dg 115 266A 0 42,-2.8 44,-3.0 -109,-0.2 45,-1.8 -0.903 11.5-161.6-109.5 131.2 19.8 -28.8 10.3 224 228 A H E -dg 116 268A 0 -109,-3.0 -107,-2.9 -2,-0.4 2,-0.7 -0.939 6.2-165.9-111.7 114.7 19.3 -27.1 6.9 225 229 A L E -dg 117 269A 0 43,-3.2 45,-2.8 -2,-0.6 2,-0.9 -0.879 3.8-171.2-102.5 111.3 22.4 -27.0 4.7 226 230 A S E -dg 118 270A 0 -109,-2.5 -107,-1.7 -2,-0.7 2,-0.7 -0.880 13.4-165.7-101.7 103.1 22.1 -24.5 1.8 227 231 A F E -dg 119 271A 2 43,-2.9 45,-2.7 -2,-0.9 2,-0.7 -0.814 9.4-164.0 -99.1 112.7 25.1 -25.3 -0.3 228 232 A D E > - g 0 272A 0 -109,-2.9 3,-2.6 -2,-0.7 4,-0.3 -0.849 18.9-140.5 -94.1 117.8 26.1 -22.8 -3.0 229 233 A V G > S+ 0 0 2 43,-2.2 3,-1.3 -2,-0.7 -1,-0.1 0.753 98.8 65.9 -48.6 -29.9 28.5 -24.4 -5.4 230 234 A D G 3 S+ 0 0 1 1,-0.3 14,-0.3 42,-0.1 -1,-0.3 0.390 78.1 82.4 -78.1 7.3 30.5 -21.2 -5.6 231 235 A G G < S+ 0 0 0 -3,-2.6 17,-2.0 -112,-0.3 -1,-0.3 0.793 86.1 69.3 -75.7 -27.5 31.5 -21.6 -2.0 232 236 A L B < S-j 248 0D 1 -3,-1.3 12,-0.3 -4,-0.3 17,-0.2 -0.575 107.2 -86.0 -86.7 154.3 34.2 -23.9 -3.3 233 237 A D >> - 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