==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JAN-13 4IU4 . COMPND 2 MOLECULE: ARGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR E.L.D'ANTONIO,B.ULLMAN,S.C.ROBERTS,U.GAUR DIXIT,M.E.WILSON,Y . 311 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 1 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 . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 1 3 0 1 1 1 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 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 13 A K 0 0 140 0, 0.0 40,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 68.2 34.6 4.5 4.4 2 14 A K E -a 41 0A 90 90,-0.4 92,-2.5 38,-0.2 2,-0.3 -0.868 360.0-173.2-110.5 143.7 36.0 2.3 1.6 3 15 A M E -ab 42 94A 0 38,-3.5 40,-0.8 -2,-0.4 2,-0.5 -0.981 15.2-158.2-138.5 148.0 33.9 0.2 -0.8 4 16 A S E -ab 43 95A 0 90,-2.8 92,-2.2 -2,-0.3 2,-1.1 -0.983 13.7-147.5-126.8 117.1 34.5 -2.3 -3.5 5 17 A I E -ab 44 96A 0 38,-2.4 40,-2.1 -2,-0.5 2,-0.6 -0.753 19.2-151.7 -85.2 101.8 31.8 -2.9 -6.1 6 18 A V E -ab 45 97A 0 -2,-1.1 92,-2.4 90,-1.1 2,-0.6 -0.664 4.9-147.0 -79.4 115.7 32.2 -6.6 -6.9 7 19 A L E +ab 46 98A 7 38,-2.7 40,-1.5 -2,-0.6 41,-0.4 -0.743 22.9 172.4 -87.3 118.1 31.1 -7.3 -10.4 8 20 A A + 0 0 0 90,-2.5 2,-2.0 -2,-0.6 92,-0.4 -0.625 5.3 178.0-127.9 74.5 29.6 -10.8 -10.8 9 21 A P + 0 0 12 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.501 29.0 145.6 -76.7 74.8 28.1 -11.2 -14.3 10 22 A F + 0 0 0 -2,-2.0 91,-2.2 9,-0.2 90,-0.7 -0.940 25.1 164.7-119.3 138.0 27.0 -14.8 -13.9 11 23 A S > + 0 0 0 -2,-0.4 3,-1.5 89,-0.2 -1,-0.1 0.256 51.0 103.7-130.3 5.7 23.8 -16.5 -15.3 12 24 A G T 3 + 0 0 1 1,-0.3 129,-0.3 89,-0.1 62,-0.2 0.587 68.8 71.0 -68.1 -10.2 24.7 -20.1 -14.9 13 25 A G T 3 S+ 0 0 0 128,-0.1 129,-3.0 127,-0.1 130,-0.3 0.469 110.4 18.7 -85.4 0.2 22.4 -20.4 -11.9 14 26 A Q S < S- 0 0 2 -3,-1.5 87,-0.1 127,-0.2 -3,-0.0 -0.957 82.0-101.8-157.7 171.3 19.4 -20.1 -14.2 15 27 A P S S+ 0 0 61 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.891 86.8 81.2 -69.6 -46.0 18.2 -20.5 -17.8 16 28 A H - 0 0 84 1,-0.1 3,-0.5 2,-0.0 -2,-0.1 -0.463 62.3-152.1 -73.8 134.4 17.8 -16.9 -19.2 17 29 A S S > S+ 0 0 54 -2,-0.2 3,-1.4 1,-0.2 4,-0.2 0.770 76.1 77.3 -77.2 -31.3 21.0 -15.2 -20.4 18 30 A G G > S+ 0 0 2 1,-0.2 3,-2.3 2,-0.1 4,-0.2 0.730 74.2 81.4 -55.0 -25.6 20.4 -11.4 -19.9 19 31 A V G > S+ 0 0 0 -3,-0.5 3,-1.3 1,-0.3 -1,-0.2 0.710 80.2 65.2 -55.6 -25.0 21.1 -11.5 -16.1 20 32 A E G < S+ 0 0 14 -3,-1.4 -1,-0.3 1,-0.3 4,-0.3 0.580 91.9 65.6 -76.4 -6.2 24.8 -11.4 -16.5 21 33 A L G <> S+ 0 0 32 -3,-2.3 4,-2.1 -4,-0.2 -1,-0.3 0.484 75.4 94.5 -89.8 -7.0 24.5 -7.9 -18.0 22 34 A G H <> S+ 0 0 0 -3,-1.3 4,-2.6 255,-0.4 5,-0.3 0.937 77.7 53.6 -51.1 -57.1 23.2 -6.5 -14.7 23 35 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.865 111.8 46.3 -47.1 -43.8 26.6 -5.3 -13.4 24 36 A D H > S+ 0 0 52 -4,-0.3 4,-2.1 -3,-0.2 -2,-0.2 0.886 111.2 50.9 -69.5 -40.8 27.2 -3.2 -16.6 25 37 A Y H X S+ 0 0 85 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.2 0.924 110.7 48.5 -63.7 -44.8 23.7 -1.8 -16.7 26 38 A L H <>S+ 0 0 1 -4,-2.6 5,-1.6 1,-0.2 3,-0.4 0.957 112.9 48.0 -59.8 -49.5 23.9 -0.6 -13.0 27 39 A L H ><5S+ 0 0 26 -4,-2.1 3,-1.1 -5,-0.3 -1,-0.2 0.844 108.2 54.8 -60.6 -34.0 27.3 0.9 -13.7 28 40 A K H 3<5S+ 0 0 153 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.849 102.0 58.0 -67.6 -33.1 26.0 2.7 -16.8 29 41 A Q T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.577 129.3-100.6 -71.1 -8.7 23.2 4.2 -14.6 30 42 A G T <>5 + 0 0 10 -3,-1.1 4,-2.4 -4,-0.4 -3,-0.2 0.722 66.8 156.3 96.4 25.7 26.0 5.7 -12.6 31 43 A L H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 111.3 51.6 -66.8 -40.0 29.8 4.1 -8.8 33 45 A Q H > S+ 0 0 101 -6,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.871 109.4 52.1 -63.0 -36.1 29.2 7.8 -9.1 34 46 A D H X S+ 0 0 34 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.923 110.2 47.5 -64.9 -45.5 26.3 7.5 -6.7 35 47 A M H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 -2,-0.2 0.893 114.7 45.0 -63.9 -41.9 28.3 5.7 -4.1 36 48 A E H ><5S+ 0 0 85 -4,-2.4 3,-2.5 1,-0.2 -1,-0.2 0.904 108.9 57.3 -67.8 -39.0 31.2 8.2 -4.3 37 49 A K H 3<5S+ 0 0 180 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.772 102.5 56.1 -61.0 -26.6 28.6 10.9 -4.2 38 50 A L T 3<5S- 0 0 38 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.313 131.3 -98.1 -87.8 7.9 27.5 9.3 -0.9 39 51 A G T < 5S+ 0 0 48 -3,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.578 77.0 142.8 89.0 10.4 31.1 9.8 0.3 40 52 A W < - 0 0 40 -5,-2.4 2,-1.0 -6,-0.2 -1,-0.3 -0.726 50.3-138.9 -90.7 129.9 32.3 6.2 -0.4 41 53 A D E -a 2 0A 100 -40,-2.4 -38,-3.5 -2,-0.4 2,-0.2 -0.782 42.0-174.9 -81.6 109.2 35.8 5.7 -1.7 42 54 A T E +a 3 0A 13 -2,-1.0 2,-0.3 -40,-0.2 -38,-0.2 -0.708 23.7 177.9-112.7 164.1 34.9 3.0 -4.2 43 55 A R E -a 4 0A 105 -40,-0.8 -38,-2.4 -2,-0.2 2,-0.3 -0.965 28.4-117.3-156.7 147.6 36.8 0.8 -6.6 44 56 A L E -a 5 0A 47 -2,-0.3 2,-0.4 -40,-0.2 -38,-0.2 -0.657 18.2-161.9 -92.6 148.5 35.5 -1.9 -9.1 45 57 A E E -a 6 0A 57 -40,-2.1 -38,-2.7 -2,-0.3 2,-0.8 -0.929 3.7-160.2-131.6 106.1 36.5 -5.6 -8.8 46 58 A R E -a 7 0A 176 -2,-0.4 -38,-0.1 -40,-0.2 3,-0.1 -0.789 7.5-175.8 -90.3 112.5 36.0 -7.7 -11.9 47 59 A V - 0 0 24 -40,-1.5 2,-0.3 -2,-0.8 -1,-0.2 0.811 65.9 -23.3 -77.2 -31.9 35.8 -11.4 -10.8 48 60 A F S S- 0 0 30 -41,-0.4 2,-0.4 33,-0.0 -1,-0.3 -0.956 75.3 -83.0-172.7 158.5 35.6 -12.8 -14.4 49 61 A D > - 0 0 90 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.604 31.3-152.1 -75.5 123.7 34.6 -11.9 -17.9 50 62 A G H > S+ 0 0 7 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.809 92.4 51.4 -64.9 -33.3 30.8 -12.3 -18.4 51 63 A K H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.3 48.2 -70.8 -44.1 30.9 -13.0 -22.1 52 64 A V H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.912 115.0 47.0 -61.9 -42.5 33.5 -15.7 -21.8 53 65 A V H X S+ 0 0 14 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.901 113.5 46.7 -66.7 -42.5 31.5 -17.2 -19.0 54 66 A E H X S+ 0 0 26 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.824 105.7 60.9 -70.3 -30.2 28.2 -17.0 -20.9 55 67 A A H X S+ 0 0 63 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.946 112.8 36.8 -60.0 -46.9 29.9 -18.5 -24.0 56 68 A R H X S+ 0 0 82 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.819 115.8 57.3 -73.6 -31.6 30.6 -21.6 -22.0 57 69 A K H < S+ 0 0 9 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.954 108.6 41.9 -65.0 -53.1 27.3 -21.4 -20.2 58 70 A A H < S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.669 122.1 41.7 -71.5 -16.4 25.0 -21.4 -23.2 59 71 A S H < S+ 0 0 84 -4,-0.8 2,-2.0 -5,-0.3 3,-0.2 0.861 94.8 74.9 -98.4 -41.8 27.0 -24.1 -25.0 60 72 A D >< + 0 0 64 -4,-2.3 3,-1.5 1,-0.2 10,-0.2 -0.420 43.9 155.0 -78.1 71.3 27.9 -26.7 -22.3 61 73 A N T 3 + 0 0 115 -2,-2.0 -1,-0.2 1,-0.3 9,-0.2 0.734 66.5 73.2 -66.8 -21.7 24.6 -28.5 -21.8 62 74 A G T 3 + 0 0 67 -3,-0.2 2,-1.6 1,-0.1 -1,-0.3 0.610 67.7 100.6 -68.5 -12.8 26.6 -31.5 -20.5 63 75 A D < + 0 0 12 -3,-1.5 7,-3.1 -6,-0.1 2,-0.3 -0.623 61.7 114.8 -76.0 91.6 27.4 -29.7 -17.3 64 76 A R E -H 69 0B 116 -2,-1.6 5,-0.2 5,-0.2 3,-0.1 -0.962 51.9-160.4-153.7 168.2 24.7 -31.5 -15.2 65 77 A I E > S-H 68 0B 65 3,-2.0 3,-1.3 -2,-0.3 2,-0.5 -0.583 74.1 -59.4-154.6 79.5 24.2 -33.8 -12.3 66 78 A G T 3 S- 0 0 64 1,-0.3 -1,-0.1 -2,-0.1 68,-0.1 -0.682 122.1 -12.2 81.1-123.1 20.7 -35.2 -12.6 67 79 A R T 3 S+ 0 0 140 -2,-0.5 -1,-0.3 66,-0.2 2,-0.2 0.765 115.4 103.1 -80.4 -27.0 18.1 -32.4 -12.5 68 80 A V E < -H 65 0B 7 -3,-1.3 -3,-2.0 65,-0.2 2,-0.4 -0.380 63.8-148.0 -63.1 124.0 20.9 -29.9 -11.4 69 81 A K E -H 64 0B 57 70,-2.6 72,-0.5 -5,-0.2 -5,-0.2 -0.788 66.0 -7.9-100.4 136.8 22.1 -27.7 -14.2 70 82 A R > + 0 0 27 -7,-3.1 4,-1.9 -2,-0.4 -1,-0.2 0.872 69.2 157.2 50.7 50.3 25.7 -26.4 -14.5 71 83 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.895 73.6 49.6 -69.5 -36.9 27.0 -27.5 -11.1 72 84 A R H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.988 114.0 41.7 -64.0 -61.7 30.6 -27.4 -12.4 73 85 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.890 117.5 49.2 -53.6 -43.0 30.5 -24.0 -13.9 74 86 A T H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.916 110.4 50.2 -65.5 -42.1 28.5 -22.6 -10.9 75 87 A A H X S+ 0 0 2 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.907 114.5 45.0 -62.2 -42.1 30.9 -24.2 -8.4 76 88 A E H X S+ 0 0 83 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.959 116.9 41.1 -66.6 -56.1 33.9 -22.7 -10.2 77 89 A C H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.874 115.1 53.2 -61.4 -39.1 32.6 -19.1 -10.8 78 90 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.842 104.4 54.6 -67.0 -34.8 31.1 -19.1 -7.3 79 91 A E H X S+ 0 0 66 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.890 107.6 51.9 -65.8 -36.7 34.4 -20.1 -5.7 80 92 A K H X S+ 0 0 98 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.907 108.1 49.1 -65.4 -42.3 36.0 -17.1 -7.4 81 93 A I H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.891 109.9 54.3 -63.7 -37.1 33.4 -14.7 -6.1 82 94 A Y H X S+ 0 0 33 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.931 109.8 45.8 -60.8 -47.6 34.0 -16.2 -2.7 83 95 A K H X S+ 0 0 119 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.910 115.5 46.9 -62.9 -43.3 37.7 -15.5 -3.0 84 96 A C H X S+ 0 0 18 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.963 115.4 43.3 -64.5 -52.0 37.1 -12.0 -4.2 85 97 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.886 113.0 52.8 -61.8 -40.4 34.5 -11.0 -1.6 86 98 A R H X S+ 0 0 80 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.927 111.6 47.4 -59.2 -45.4 36.6 -12.6 1.2 87 99 A R H X S+ 0 0 134 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 109.7 51.7 -61.3 -49.4 39.6 -10.5 0.0 88 100 A V H <>S+ 0 0 1 -4,-2.7 5,-2.1 1,-0.2 -1,-0.2 0.898 111.8 47.1 -56.9 -43.2 37.6 -7.3 -0.2 89 101 A A H ><5S+ 0 0 11 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.830 110.1 52.0 -69.4 -34.6 36.3 -7.8 3.4 90 102 A E H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 102.5 59.7 -71.2 -29.7 39.7 -8.6 4.7 91 103 A Q T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.432 121.5-112.3 -76.3 2.0 41.0 -5.4 3.2 92 104 A G T < 5S+ 0 0 45 -3,-1.1 -90,-0.4 1,-0.3 2,-0.3 0.650 74.9 131.0 77.2 15.9 38.5 -3.6 5.4 93 105 A R < - 0 0 22 -5,-2.1 -1,-0.3 -92,-0.1 -90,-0.3 -0.683 63.9-110.4-101.5 155.6 36.3 -2.5 2.5 94 106 A F E -b 3 0A 17 -92,-2.5 -90,-2.8 -2,-0.3 2,-0.8 -0.727 30.8-141.5 -83.9 120.3 32.5 -2.9 2.1 95 107 A P E -b 4 0A 2 0, 0.0 177,-1.9 0, 0.0 2,-0.8 -0.758 19.6-177.5 -90.3 112.3 31.7 -5.4 -0.6 96 108 A L E -bc 5 272A 0 -92,-2.2 -90,-1.1 -2,-0.8 2,-0.4 -0.902 14.7-163.3-106.3 100.7 28.7 -4.4 -2.7 97 109 A T E -bc 6 273A 0 175,-2.2 177,-2.3 -2,-0.8 2,-0.5 -0.751 6.2-161.2 -92.9 130.1 28.2 -7.3 -5.1 98 110 A I E -bc 7 274A 2 -92,-2.4 -90,-2.5 -2,-0.4 177,-0.2 -0.939 29.5-121.5-111.6 126.7 26.1 -6.9 -8.3 99 111 A G - 0 0 0 175,-2.4 178,-0.2 -2,-0.5 2,-0.2 -0.316 44.6-172.9 -98.8-174.4 24.8 -9.9 -10.1 100 112 A G S S- 0 0 0 -90,-0.7 176,-2.9 -92,-0.4 -1,-0.3 0.525 82.7 -29.8 89.5 147.4 24.1 -12.0 -11.9 101 113 A D S > S- 0 0 0 -91,-2.2 3,-1.5 174,-0.2 -1,-0.2 -0.288 74.0 -93.8 -76.9 171.6 21.6 -14.5 -10.7 102 114 A H G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.482 109.6 86.0 -69.0 -2.3 21.3 -15.4 -7.0 103 115 A S G > S+ 0 0 2 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.737 76.3 73.0 -69.6 -17.8 23.6 -18.4 -7.2 104 116 A I G X> S+ 0 0 0 -3,-1.5 4,-2.0 1,-0.3 3,-1.4 0.723 77.4 76.3 -66.8 -20.0 26.4 -15.8 -6.7 105 117 A A H <> S+ 0 0 0 -3,-1.4 4,-1.8 1,-0.3 5,-0.4 0.623 78.8 73.1 -66.3 -11.9 25.3 -15.5 -3.0 106 118 A L H <> S+ 0 0 3 -3,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.867 108.4 32.6 -67.9 -35.4 27.1 -18.8 -2.5 107 119 A G H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.3 -2,-0.2 0.844 118.9 51.8 -88.3 -38.6 30.3 -16.9 -2.8 108 120 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.973 114.5 40.3 -64.0 -55.4 29.2 -13.5 -1.3 109 121 A V H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.888 117.1 51.0 -60.6 -39.6 27.8 -14.9 1.9 110 122 A A H X S+ 0 0 0 -4,-0.6 4,-1.1 -5,-0.4 -1,-0.2 0.929 112.4 46.8 -63.0 -45.7 30.7 -17.4 2.2 111 123 A G H X S+ 0 0 0 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.920 115.9 43.3 -62.6 -46.7 33.2 -14.6 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4,-2.3 1,-0.2 5,-0.2 0.928 112.5 50.1 -63.9 -42.8 12.4 -5.2 9.0 212 224 A S H X S+ 0 0 30 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.920 111.4 47.8 -61.0 -44.3 12.8 -4.8 12.8 213 225 A M H X S+ 0 0 45 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 111.4 51.8 -64.4 -37.3 11.9 -8.5 13.5 214 226 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.888 110.6 46.6 -66.1 -42.1 14.3 -9.6 10.7 215 227 A I H X S+ 0 0 6 -4,-2.3 4,-0.8 1,-0.2 3,-0.5 0.921 114.7 47.7 -66.4 -43.0 17.2 -7.6 12.1 216 228 A E H >< S+ 0 0 127 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.870 104.2 61.6 -64.7 -39.2 16.5 -8.9 15.6 217 229 A A H 3< S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.784 115.8 30.5 -58.8 -32.2 16.2 -12.5 14.4 218 230 A V H 3< S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.407 114.0 64.5-108.1 -1.3 19.8 -12.5 13.2 219 231 A S X< + 0 0 2 -4,-0.8 3,-0.7 -3,-0.5 -1,-0.2 -0.586 53.1 160.4-122.8 69.6 21.3 -10.1 15.8 220 232 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.922 82.2 41.4 -55.2 -50.0 20.9 -11.7 19.2 221 233 A K T 3 S- 0 0 122 1,-0.1 -2,-0.1 0, 0.0 -5,-0.0 0.600 107.1-128.8 -74.9 -9.8 23.6 -9.6 20.9 222 234 A G S < S+ 0 0 37 -3,-0.7 -1,-0.1 -6,-0.2 -3,-0.1 0.651 95.8 76.9 70.5 13.9 22.2 -6.6 19.0 223 235 A T + 0 0 100 2,-0.1 -1,-0.1 45,-0.0 -4,-0.1 0.377 61.3 122.6-131.4 -3.6 25.7 -5.8 17.9 224 236 A E - 0 0 3 1,-0.1 -105,-0.1 -106,-0.1 2,-0.1 -0.234 67.2-105.7 -65.5 151.7 26.3 -8.3 15.1 225 237 A P - 0 0 33 0, 0.0 -105,-2.9 0, 0.0 2,-0.4 -0.394 37.1-142.3 -71.4 154.4 27.3 -7.2 11.6 226 238 A V E -dg 120 269A 0 42,-3.3 44,-3.7 -107,-0.2 45,-0.9 -0.973 14.8-167.9-128.3 140.1 24.5 -7.6 9.1 227 239 A M E -dg 121 271A 0 -107,-2.6 -105,-2.9 -2,-0.4 2,-0.5 -0.961 7.1-156.8-121.6 140.3 24.6 -8.6 5.4 228 240 A V E -dg 122 272A 0 43,-1.9 45,-2.3 -2,-0.4 2,-0.7 -0.972 5.8-165.6-121.2 127.4 21.7 -8.2 3.0 229 241 A S E -dg 123 273A 0 -107,-2.2 -105,-1.7 -2,-0.5 2,-0.7 -0.932 19.3-160.8-110.6 106.7 21.3 -10.3 -0.2 230 242 A Y E -dg 124 274A 0 43,-2.8 45,-2.8 -2,-0.7 2,-0.6 -0.802 12.9-168.5-100.7 108.5 18.7 -8.5 -2.2 231 243 A D E > - g 0 275A 0 -107,-2.8 3,-1.6 -2,-0.7 4,-0.2 -0.804 18.1-145.6 -89.1 121.9 16.9 -10.3 -5.0 232 244 A V G > S+ 0 0 0 43,-2.1 3,-1.5 -2,-0.6 -1,-0.1 0.692 90.6 76.1 -65.1 -15.7 15.0 -7.7 -7.1 233 245 A D G 3 S+ 0 0 1 1,-0.3 14,-0.5 42,-0.2 -1,-0.3 0.498 75.4 78.9 -74.9 2.3 12.1 -10.1 -7.7 234 246 A T G < S+ 0 0 0 -3,-1.6 17,-2.4 -110,-0.2 2,-0.3 0.776 82.2 79.4 -73.7 -26.6 11.0 -9.4 -4.2 235 247 A I B < S-i 251 0C 1 -3,-1.5 12,-0.3 15,-0.3 17,-0.2 -0.614 105.5 -90.9 -83.0 139.0 9.6 -6.2 -5.5 236 248 A D >> - 0 0 19 15,-3.1 3,-3.3 -2,-0.3 4,-1.7 -0.221 34.7-118.5 -54.4 133.1 6.3 -6.5 -7.3 237 249 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.677 110.5 71.8 -46.2 -20.0 6.8 -7.1 -11.1 238 250 A L T 34 S+ 0 0 118 1,-0.2 -2,-0.1 2,-0.2 14,-0.0 0.595 111.4 28.7 -76.9 -5.4 5.0 -3.8 -11.8 239 251 A Y T <4 S+ 0 0 84 -3,-3.3 -1,-0.2 12,-0.1 55,-0.1 0.633 134.1 32.9-116.5 -34.9 8.1 -2.0 -10.4 240 252 A V < + 0 0 1 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.1 -0.704 69.3 152.1-124.8 74.6 10.7 -4.5 -11.3 241 253 A P + 0 0 30 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 0.845 55.4 76.9 -72.4 -38.5 9.4 -6.2 -14.6 242 254 A A S S+ 0 0 0 45,-0.6 36,-1.8 46,-0.1 2,-0.3 -0.543 72.4 107.2 -79.3 80.9 12.8 -7.1 -16.1 243 255 A T S S- 0 0 6 -2,-1.8 34,-0.1 38,-0.5 33,-0.0 -0.984 70.6-122.8-153.7 153.2 13.6 -10.2 -14.0 244 256 A G S S+ 0 0 18 32,-0.4 -1,-0.1 -2,-0.3 33,-0.1 0.853 103.0 29.0 -69.5 -38.8 13.6 -14.0 -14.5 245 257 A T S S+ 0 0 37 31,-0.1 -1,-0.2 2,-0.0 -119,-0.1 -0.492 75.8 178.0-123.3 63.2 11.2 -15.2 -11.9 246 258 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -10,-0.1 -0.356 8.2-164.8 -66.6 144.8 8.6 -12.4 -11.3 247 259 A V - 0 0 30 -14,-0.5 3,-0.2 -12,-0.3 -67,-0.1 -0.992 20.4-117.9-135.4 126.4 5.9 -13.2 -8.8 248 260 A R S S+ 0 0 227 -2,-0.4 -12,-0.0 1,-0.2 -13,-0.0 -0.251 90.9 38.1 -62.0 144.1 2.7 -11.2 -8.3 249 261 A G S S+ 0 0 40 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.869 80.6 146.4 84.5 40.2 2.0 -9.5 -5.0 250 262 A G - 0 0 13 1,-0.2 -15,-0.3 -3,-0.2 -16,-0.1 -0.149 54.1 -56.7 -95.0-167.3 5.4 -8.3 -4.1 251 263 A L B -i 235 0C 0 -17,-2.4 -15,-3.1 -74,-0.1 -1,-0.2 -0.335 55.2-116.7 -67.8 151.3 6.8 -5.3 -2.2 252 264 A S > - 0 0 29 -17,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.399 31.1-103.6 -80.6 167.2 5.9 -1.8 -3.5 253 265 A F H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.927 124.1 52.1 -56.6 -43.2 8.7 0.4 -4.7 254 266 A R H > S+ 0 0 201 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.909 110.5 44.5 -60.9 -46.7 8.3 2.3 -1.4 255 267 A E H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 109.1 58.3 -65.9 -39.2 8.6 -0.7 0.8 256 268 A A H X S+ 0 0 1 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.863 116.9 33.2 -57.2 -39.2 11.5 -2.0 -1.2 257 269 A L H X S+ 0 0 19 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.789 112.6 59.5 -88.5 -33.5 13.4 1.2 -0.5 258 270 A F H X S+ 0 0 67 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.905 101.9 56.9 -61.2 -39.2 12.1 1.9 3.0 259 271 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.914 107.0 49.1 -56.5 -43.5 13.5 -1.5 4.0 260 272 A C H X S+ 0 0 0 -4,-0.6 4,-3.1 1,-0.2 5,-0.3 0.918 109.5 50.8 -63.0 -46.1 17.0 -0.3 2.8 261 273 A E H X S+ 0 0 55 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.856 110.0 50.4 -61.7 -36.4 16.7 3.0 4.7 262 274 A R H X S+ 0 0 39 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.872 113.7 45.0 -69.9 -38.4 15.8 1.1 7.9 263 275 A I H >X S+ 0 0 0 -4,-1.9 3,-1.5 2,-0.2 4,-0.8 0.964 112.6 48.6 -68.9 -53.1 18.7 -1.2 7.5 264 276 A A H >< S+ 0 0 30 -4,-3.1 3,-1.1 1,-0.3 -2,-0.2 0.876 106.7 62.5 -53.2 -36.6 21.2 1.5 6.7 265 277 A E H 3< S+ 0 0 141 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.802 93.3 58.9 -61.0 -32.1 19.8 3.2 9.7 266 278 A C H << S- 0 0 45 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.738 97.8-142.0 -72.7 -18.6 20.9 0.5 12.1 267 279 A G S << S+ 0 0 64 -3,-1.1 -3,-0.1 -4,-0.8 -2,-0.1 0.503 74.1 98.2 74.9 5.1 24.5 1.2 11.0 268 280 A R + 0 0 53 -5,-0.4 -42,-3.3 -43,-0.1 2,-0.3 0.224 40.7 130.9-109.8 14.9 25.7 -2.5 11.1 269 281 A L E + g 0 226A 26 -6,-0.3 -42,-0.2 -44,-0.2 3,-0.1 -0.532 24.0 170.7 -68.4 128.5 25.3 -3.3 7.4 270 282 A V E + 0 0 26 -44,-3.7 2,-0.3 1,-0.4 -43,-0.2 0.562 60.1 8.6-116.3 -14.1 28.6 -4.9 6.3 271 283 A A E - g 0 227A 0 -45,-0.9 -43,-1.9 -177,-0.2 -1,-0.4 -0.981 57.8-162.1-162.9 156.4 27.9 -6.2 2.8 272 284 A L E -cg 96 228A 0 -177,-1.9 -175,-2.2 -2,-0.3 2,-0.4 -0.988 3.7-164.1-149.9 135.2 25.2 -6.1 0.2 273 285 A D E -cg 97 229A 1 -45,-2.3 -43,-2.8 -2,-0.3 2,-0.5 -0.951 1.7-167.9-116.3 140.1 24.2 -8.1 -2.9 274 286 A V E +cg 98 230A 2 -177,-2.3 -175,-2.4 -2,-0.4 2,-0.2 -0.943 29.1 170.8-126.3 105.2 21.8 -6.7 -5.6 275 287 A V E + g 0 231A 0 -45,-2.8 -43,-2.1 -2,-0.5 -174,-0.2 -0.693 34.3 37.6-121.1 170.5 20.9 -9.7 -7.8 276 288 A E + 0 0 1 -176,-2.9 2,-0.6 1,-0.2 -32,-0.4 0.594 57.5 151.0 72.3 19.0 18.7 -10.9 -10.6 277 289 A C + 0 0 2 -177,-0.3 -255,-0.4 -258,-0.2 -1,-0.2 -0.723 17.7 179.0 -80.4 121.7 18.5 -7.8 -12.9 278 290 A N > - 0 0 1 -36,-1.8 3,-1.1 -2,-0.6 -259,-0.2 -0.818 13.6-175.0-128.3 92.0 17.9 -9.0 -16.4 279 291 A P G > S+ 0 0 6 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.715 83.5 61.6 -55.2 -27.7 17.6 -6.1 -19.0 280 292 A L G 3 S+ 0 0 96 1,-0.3 2,-0.9 -38,-0.1 -37,-0.1 0.851 91.5 65.0 -71.7 -34.7 16.8 -8.6 -21.8 281 293 A L G < S+ 0 0 61 -3,-1.1 -38,-0.5 -39,-0.1 2,-0.4 -0.098 81.4 116.2 -80.7 39.2 13.7 -9.8 -20.1 282 294 A A < - 0 0 21 -2,-0.9 3,-0.1 -3,-0.6 -40,-0.1 -0.916 58.6-152.3-112.3 135.5 12.2 -6.4 -20.5 283 295 A A S S+ 0 0 84 -2,-0.4 2,-0.2 1,-0.0 -1,-0.2 0.984 82.8 4.3 -65.9 -58.1 9.1 -5.7 -22.7 284 296 A T S >> S- 0 0 77 1,-0.0 4,-1.0 0, 0.0 3,-0.6 -0.605 82.6-100.9-118.7 179.3 10.0 -2.1 -23.4 285 297 A E H 3> S+ 0 0 172 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.699 122.2 63.6 -74.7 -18.8 13.0 0.1 -22.7 286 298 A S H 3> S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.754 99.4 54.5 -73.5 -24.2 11.0 1.7 -19.9 287 299 A H H <> S+ 0 0 62 -3,-0.6 4,-1.3 2,-0.2 -45,-0.6 0.851 109.4 47.5 -74.6 -38.1 11.0 -1.8 -18.3 288 300 A V H >X S+ 0 0 32 -4,-1.0 4,-3.1 2,-0.2 3,-0.7 0.989 115.0 43.0 -65.3 -62.0 14.8 -1.8 -18.5 289 301 A N H 3X S+ 0 0 79 -4,-2.4 4,-2.4 1,-0.3 5,-0.2 0.847 113.0 54.1 -53.4 -39.1 15.3 1.6 -17.0 290 302 A D H 3X S+ 0 0 69 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.3 0.839 114.9 40.4 -66.5 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310 322 A T 0 0 122 -4,-0.1 -4,-0.1 -3,-0.1 -1,-0.0 -0.993 360.0 360.0-149.7 360.0 21.4 13.5 7.8 311 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 312 405 A X 0 0 29 0, 0.0 -172,-0.3 0, 0.0 -169,-0.1 0.000 360.0 360.0 360.0 360.0 12.1 -22.3 -7.6