==== 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 12-DEC-00 1HOZ . COMPND 2 MOLECULE: INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA VIVAX; . AUTHOR W.VERSEES,K.DECANNIERE,R.PELLE,J.DEPOORTER,D.W.PARKIN,J.STEY . 631 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.1 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 . 0 0.0 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 . 62 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 31.9 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+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 4 1 0 1 1 5 5 2 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 4 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 -1 A G 0 0 138 0, 0.0 2,-0.3 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 162.5 26.9 45.2 -12.8 2 0 A S - 0 0 101 27,-0.1 26,-0.1 1,-0.0 2,-0.1 -0.900 360.0-101.8-122.1 150.3 24.0 46.6 -10.8 3 2 A A - 0 0 17 -2,-0.3 2,-0.3 24,-0.1 27,-0.3 -0.380 36.0-133.2 -69.2 151.0 22.7 45.4 -7.4 4 3 A K E -a 30 0A 75 25,-2.0 27,-3.2 -2,-0.1 2,-0.3 -0.793 22.3-102.8-107.8 149.6 19.5 43.3 -7.4 5 4 A N E +ab 31 133A 16 127,-0.6 129,-2.8 -2,-0.3 2,-0.3 -0.531 43.5 178.7 -73.8 132.8 16.4 43.8 -5.2 6 5 A V E -ab 32 134A 0 25,-2.4 27,-2.2 -2,-0.3 28,-0.7 -0.987 19.1-162.8-137.0 143.0 16.1 41.3 -2.3 7 6 A V E -ab 34 135A 0 127,-2.0 129,-3.0 -2,-0.3 2,-0.6 -0.991 17.5-142.1-122.2 132.2 13.7 40.8 0.5 8 7 A L E -ab 35 136A 0 26,-1.9 28,-2.3 -2,-0.4 2,-0.7 -0.881 13.1-170.2 -97.4 121.4 14.7 38.7 3.5 9 8 A D E +ab 36 137A 0 127,-3.1 129,-2.6 -2,-0.6 130,-1.0 -0.917 29.8 156.0-112.7 101.6 11.8 36.5 4.8 10 9 A H E -a 37 0A 0 26,-2.6 28,-2.4 -2,-0.7 129,-0.1 -0.746 49.6-138.2-130.1 171.0 13.1 35.1 8.1 11 10 A D - 0 0 1 26,-0.2 26,-0.1 -2,-0.2 36,-0.1 0.047 50.9-108.8-122.1 28.3 12.2 33.7 11.5 12 11 A G + 0 0 0 1,-0.2 31,-0.2 35,-0.1 2,-0.2 0.631 66.6 132.6 64.4 24.2 14.7 35.2 13.8 13 12 A N S >> S- 0 0 19 29,-0.1 4,-1.6 74,-0.1 3,-0.5 -0.457 72.8 -86.9 -97.1 179.7 17.1 32.6 14.9 14 13 A L H 3> S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.882 126.3 46.4 -54.0 -45.6 20.9 32.9 14.9 15 14 A D H 3> S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.806 105.1 61.3 -73.0 -22.6 21.5 31.8 11.3 16 15 A D H <> S+ 0 0 0 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.889 107.1 47.1 -64.9 -36.5 18.7 34.1 10.0 17 16 A F H X S+ 0 0 1 -4,-1.6 4,-2.1 -3,-0.2 -2,-0.2 0.837 108.5 51.9 -76.8 -28.2 20.7 37.0 11.4 18 17 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.917 110.4 51.4 -68.7 -40.0 23.9 35.8 9.9 19 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.916 108.2 51.8 -58.9 -42.9 21.9 35.6 6.6 20 19 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.901 108.4 50.5 -60.0 -43.7 20.8 39.2 7.2 21 20 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.921 109.2 51.6 -62.3 -45.3 24.4 40.4 7.7 22 21 A L H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.918 114.6 42.3 -57.1 -47.1 25.5 38.7 4.5 23 22 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 7,-0.2 0.947 117.4 44.8 -65.7 -49.4 22.7 40.4 2.5 24 23 A A H 3< S+ 0 0 1 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.814 110.2 54.5 -68.6 -30.6 23.0 43.8 4.0 25 24 A S H 3< S+ 0 0 13 -4,-2.4 2,-0.9 -5,-0.3 -1,-0.2 0.707 96.0 68.9 -78.8 -17.2 26.8 43.9 3.9 26 25 A N XX + 0 0 16 -4,-0.8 4,-3.1 -3,-0.6 3,-1.1 -0.496 55.6 156.5-101.6 66.1 27.0 43.2 0.2 27 26 A T T 34 + 0 0 60 -2,-0.9 -1,-0.2 1,-0.3 -24,-0.1 0.702 67.9 60.4 -65.7 -21.5 25.5 46.5 -1.2 28 27 A E T 34 S+ 0 0 167 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.789 120.3 26.4 -77.3 -22.4 27.2 46.2 -4.6 29 28 A K T <4 S+ 0 0 105 -3,-1.1 -25,-2.0 1,-0.2 2,-0.4 0.724 124.8 44.6-105.6 -30.3 25.4 42.9 -5.3 30 29 A V E < -a 4 0A 3 -4,-3.1 2,-0.8 -27,-0.3 -1,-0.2 -0.970 52.5-163.8-127.5 130.0 22.3 43.2 -3.1 31 30 A R E -a 5 0A 106 -27,-3.2 -25,-2.4 -2,-0.4 2,-1.0 -0.925 22.7-152.4-106.9 101.3 19.9 46.0 -2.6 32 31 A L E +a 6 0A 15 -2,-0.8 -25,-0.2 -27,-0.2 -27,-0.1 -0.686 21.1 173.9 -80.1 103.1 18.1 44.9 0.5 33 32 A I E - 0 0 35 -27,-2.2 2,-0.3 -2,-1.0 -26,-0.2 0.466 56.3 -21.6 -94.6 -0.3 14.7 46.5 0.2 34 33 A G E -a 7 0A 0 -28,-0.7 -26,-1.9 33,-0.2 2,-0.3 -0.925 50.2-146.2 171.0 165.1 12.9 45.0 3.1 35 34 A A E -ac 8 69A 0 33,-2.0 35,-2.2 -2,-0.3 2,-0.3 -0.987 5.8-161.9-148.4 152.0 12.6 42.2 5.7 36 35 A L E -ac 9 70A 1 -28,-2.3 -26,-2.6 -2,-0.3 2,-0.4 -0.980 9.6-148.4-134.2 148.6 9.9 40.4 7.5 37 36 A C E -ac 10 71A 0 33,-2.4 35,-3.1 -2,-0.3 2,-0.3 -0.975 8.5-155.3-122.6 134.4 10.1 38.2 10.6 38 37 A T - 0 0 0 -28,-2.4 2,-2.2 -2,-0.4 3,-0.2 -0.832 26.0-120.4-110.9 144.0 7.9 35.2 11.4 39 38 A D S S+ 0 0 57 35,-0.4 37,-0.2 33,-0.3 -28,-0.1 -0.240 84.3 99.4 -75.6 49.2 7.0 33.8 14.8 40 39 A A S S+ 0 0 0 -2,-2.2 40,-0.5 -30,-0.1 2,-0.4 0.784 91.9 9.8 -99.8 -88.9 8.6 30.4 14.0 41 40 A D S S+ 0 0 18 -3,-0.2 2,-0.3 38,-0.1 47,-0.2 -0.129 135.9 32.3 -88.2 39.1 12.1 29.8 15.3 42 41 A C S S- 0 0 0 -2,-0.4 2,-0.7 45,-0.1 44,-0.2 -0.944 95.8 -92.1-173.2 168.4 11.8 32.9 17.5 43 42 A F >> - 0 0 48 42,-0.7 4,-2.1 -2,-0.3 3,-1.3 -0.915 44.7-133.4 -94.4 117.5 9.3 35.0 19.4 44 43 A V H 3> S+ 0 0 22 -2,-0.7 4,-2.7 1,-0.3 5,-0.2 0.760 100.8 58.4 -44.0 -38.7 8.3 37.4 16.6 45 44 A E H 3> S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.912 111.4 42.0 -60.1 -43.2 8.5 40.5 18.8 46 45 A N H <> S+ 0 0 28 -3,-1.3 4,-2.6 2,-0.2 5,-0.2 0.897 113.8 51.5 -71.4 -41.9 12.2 39.7 19.6 47 46 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.881 110.2 50.1 -60.8 -40.0 13.0 38.8 16.1 48 47 A F H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.944 111.6 48.4 -62.7 -47.2 11.6 42.0 14.9 49 48 A N H X S+ 0 0 32 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.896 111.6 48.1 -62.6 -42.6 13.6 44.0 17.4 50 49 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.897 108.5 54.5 -67.0 -38.9 16.8 42.3 16.6 51 50 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.6 45.1 -59.3 -44.0 16.3 42.8 12.9 52 51 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.907 111.4 51.3 -66.0 -43.4 15.8 46.5 13.6 53 52 A K H X S+ 0 0 11 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.871 112.6 46.2 -62.5 -37.6 18.8 46.8 15.9 54 53 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.943 112.1 50.5 -71.0 -45.2 21.1 45.1 13.4 55 54 A M H X S+ 0 0 1 -4,-2.4 4,-3.0 -5,-0.3 -2,-0.2 0.927 113.8 45.5 -57.1 -42.6 19.8 47.3 10.5 56 55 A C H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.876 108.7 55.0 -71.5 -34.9 20.4 50.4 12.6 57 56 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.931 114.1 43.0 -60.1 -45.3 23.8 49.3 13.8 58 57 A M H >X S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 4,-1.3 0.948 111.3 52.1 -69.9 -46.8 24.8 48.9 10.1 59 58 A H H 3< S+ 0 0 69 -4,-3.0 3,-0.3 1,-0.3 5,-0.2 0.869 110.0 50.9 -56.9 -35.5 23.1 52.2 8.9 60 59 A N T 3< S+ 0 0 51 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.444 119.7 35.5 -84.5 5.8 25.0 54.1 11.6 61 60 A N T <4 S+ 0 0 68 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.393 121.2 14.9-137.5 2.1 28.4 52.6 10.6 62 61 A M S < S- 0 0 38 -4,-1.3 2,-1.1 -3,-0.3 -1,-0.2 -0.970 89.6 -74.8-163.5 172.1 28.4 52.2 6.8 63 62 A N S S+ 0 0 153 -2,-0.3 -36,-0.1 -3,-0.1 -4,-0.1 -0.709 73.4 130.9 -80.1 104.3 26.6 53.1 3.6 64 63 A L - 0 0 12 -2,-1.1 -2,-0.1 -5,-0.2 2,-0.1 -0.870 52.2-128.6-156.5 116.2 23.5 51.0 3.8 65 64 A P - 0 0 99 0, 0.0 -33,-0.1 0, 0.0 2,-0.1 -0.397 27.6-111.5 -69.7 146.8 20.0 52.4 3.2 66 65 A L - 0 0 65 -2,-0.1 -10,-0.0 -7,-0.1 -11,-0.0 -0.379 36.9-168.2 -70.2 154.8 17.3 51.8 5.8 67 66 A F - 0 0 10 -2,-0.1 -33,-0.2 -32,-0.0 2,-0.1 -0.941 27.4 -88.6-141.6 161.3 14.4 49.5 4.7 68 67 A P - 0 0 26 0, 0.0 -33,-2.0 0, 0.0 2,-0.4 -0.461 34.6-161.0 -74.4 147.5 11.0 48.5 6.1 69 68 A I E -c 35 0A 0 -35,-0.2 2,-0.3 -2,-0.1 47,-0.3 -0.997 9.8-169.2-128.1 128.0 10.8 45.6 8.5 70 69 A G E -c 36 0A 0 -35,-2.2 -33,-2.4 -2,-0.4 2,-0.6 -0.883 22.0-129.2-124.3 152.0 7.4 43.9 9.2 71 70 A K E -cd 37 117A 36 45,-0.7 47,-2.8 -2,-0.3 48,-0.3 -0.838 30.0-133.3 -94.6 122.6 6.1 41.4 11.6 72 71 A S - 0 0 8 -35,-3.1 -33,-0.3 -2,-0.6 -28,-0.1 -0.527 4.7-150.0 -76.6 142.5 4.3 38.5 9.9 73 72 A A + 0 0 77 -2,-0.2 -1,-0.1 -35,-0.1 -35,-0.1 0.383 52.6 135.6 -88.8 3.6 1.0 37.4 11.2 74 73 A A - 0 0 11 1,-0.1 -35,-0.4 0, 0.0 2,-0.3 -0.207 43.2-150.0 -54.6 140.5 1.7 33.8 10.1 75 74 A T - 0 0 116 -37,-0.1 -35,-0.1 67,-0.1 2,-0.1 -0.884 18.0-105.3-116.1 148.7 0.7 31.2 12.7 76 75 A A - 0 0 34 -2,-0.3 115,-0.2 -37,-0.2 114,-0.1 -0.328 17.4-168.8 -72.1 148.1 2.4 27.8 13.2 77 76 A V S S+ 0 0 72 113,-2.7 114,-0.2 1,-0.3 -1,-0.2 0.801 97.3 10.8 -93.7 -50.0 1.0 24.4 12.2 78 77 A N S S- 0 0 30 112,-2.0 -1,-0.3 111,-0.2 113,-0.0 -0.913 90.7-138.0-130.2 101.8 3.8 22.8 14.2 79 78 A P - 0 0 82 0, 0.0 3,-0.1 0, 0.0 -39,-0.1 -0.102 19.9-108.5 -58.6 152.4 5.8 25.1 16.5 80 79 A F - 0 0 12 -40,-0.5 2,-0.1 1,-0.1 5,-0.1 -0.334 53.8 -73.5 -73.8 164.0 9.6 25.0 16.9 81 80 A P >> - 0 0 38 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.385 41.2-128.2 -60.7 132.0 11.0 23.7 20.3 82 81 A K H >> S+ 0 0 86 1,-0.3 4,-0.8 2,-0.2 3,-0.5 0.901 107.2 61.0 -46.1 -47.7 10.5 26.3 22.9 83 82 A E H 34 S+ 0 0 81 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.817 105.4 46.0 -51.2 -38.2 14.2 26.1 23.8 84 83 A W H X4 S+ 0 0 115 -3,-1.3 3,-1.1 1,-0.2 -1,-0.2 0.800 102.9 63.0 -79.0 -30.2 15.3 27.2 20.3 85 84 A R H X< S+ 0 0 54 -4,-1.4 -42,-0.7 -3,-0.5 3,-0.6 0.654 87.8 71.0 -72.0 -14.8 13.0 30.1 19.9 86 85 A C T 3X S+ 0 0 56 -4,-0.8 4,-1.6 -3,-0.4 3,-0.4 0.505 70.0 91.5 -82.5 -0.3 14.4 32.2 22.8 87 86 A L H <> S+ 0 0 39 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.893 81.1 55.6 -63.9 -36.0 17.6 33.0 21.0 88 87 A A H <> S+ 0 0 0 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.872 104.7 56.0 -62.1 -33.1 16.3 36.3 19.5 89 88 A K H > S+ 0 0 69 -3,-0.4 4,-0.6 -4,-0.3 -1,-0.2 0.925 109.4 45.6 -62.9 -42.5 15.4 37.3 23.1 90 89 A N H >< S+ 0 0 37 -4,-1.6 3,-1.3 1,-0.2 4,-0.4 0.925 111.7 50.8 -66.0 -43.3 19.0 36.7 24.1 91 90 A M H >< S+ 0 0 9 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.837 99.2 66.3 -62.9 -32.2 20.3 38.6 21.1 92 91 A D H 3< S+ 0 0 14 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.778 106.3 43.4 -60.3 -25.5 18.0 41.5 21.9 93 92 A D T << S+ 0 0 5 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.450 83.0 121.2-100.5 -0.3 20.1 42.0 25.0 94 93 A M X - 0 0 4 -3,-1.3 3,-1.3 -4,-0.4 4,-0.3 -0.365 66.4-128.0 -65.6 138.4 23.6 41.6 23.5 95 94 A P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 453,-0.2 0.862 103.5 60.4 -56.7 -38.0 25.8 44.6 24.0 96 95 A I G 3 S+ 0 0 1 1,-0.3 3,-0.4 2,-0.1 142,-0.1 0.745 107.3 48.1 -65.5 -19.4 26.9 45.1 20.4 97 96 A L G < S+ 0 0 2 -3,-1.3 -1,-0.3 -6,-0.2 -3,-0.1 0.367 106.4 59.4 -98.9 5.0 23.2 45.6 19.5 98 97 A N < + 0 0 7 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 -0.093 61.7 142.1-125.2 35.2 22.5 48.0 22.3 99 98 A I >> - 0 0 24 -3,-0.4 4,-2.3 1,-0.1 3,-1.3 -0.650 57.1-125.0 -74.2 129.3 24.9 50.9 21.5 100 99 A P H 3> S+ 0 0 65 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.822 106.0 53.6 -45.3 -47.3 22.9 54.1 22.4 101 100 A E H 3> S+ 0 0 101 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.850 115.2 43.1 -61.4 -30.3 23.3 55.9 19.1 102 101 A N H <> S+ 0 0 3 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.861 113.5 48.2 -82.7 -38.2 21.9 52.8 17.3 103 102 A V H X S+ 0 0 30 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.889 109.7 56.2 -67.5 -37.6 19.1 52.1 19.7 104 103 A E H X S+ 0 0 141 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.918 107.4 47.6 -57.9 -46.0 18.2 55.7 19.4 105 104 A L H X S+ 0 0 28 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.922 112.2 49.5 -63.6 -41.9 17.9 55.4 15.7 106 105 A W H X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.939 108.7 52.4 -63.5 -43.0 15.8 52.3 16.1 107 106 A D H < S+ 0 0 102 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.852 108.7 53.0 -59.1 -35.4 13.5 54.0 18.6 108 107 A K H < S+ 0 0 173 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.832 118.2 32.6 -71.5 -33.6 13.0 56.8 16.1 109 108 A I H X S+ 0 0 32 -4,-1.7 4,-1.6 -3,-0.3 3,-0.2 0.414 94.4 94.4-104.1 3.0 11.9 54.6 13.2 110 109 A K H X S+ 0 0 35 -4,-1.3 4,-3.2 1,-0.2 5,-0.2 0.921 76.7 58.5 -60.2 -46.9 10.2 52.0 15.3 111 110 A A H 4 S+ 0 0 47 -4,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.868 107.0 47.3 -53.8 -43.5 6.7 53.5 15.0 112 111 A E H >4 S+ 0 0 120 -3,-0.2 3,-0.8 -4,-0.2 4,-0.3 0.946 116.5 43.4 -66.2 -45.9 6.6 53.3 11.3 113 112 A N H >< S+ 0 0 9 -4,-1.6 3,-1.7 1,-0.2 -42,-0.3 0.889 103.7 61.6 -70.0 -38.7 7.9 49.7 11.2 114 113 A E T 3< S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.650 99.5 59.9 -67.8 -6.0 5.7 48.2 13.9 115 114 A K T < S+ 0 0 152 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.585 82.2 100.9 -94.3 -11.4 2.6 49.1 11.9 116 115 A Y < - 0 0 74 -3,-1.7 -45,-0.7 -4,-0.3 2,-0.6 -0.399 68.6-136.6 -71.5 151.9 3.5 47.0 8.9 117 116 A E B > -d 71 0A 99 -47,-0.1 4,-2.5 1,-0.1 -45,-0.2 -0.973 18.4-141.2-107.7 117.0 1.8 43.6 8.4 118 117 A G H > S+ 0 0 0 -47,-2.8 4,-2.3 -2,-0.6 -46,-0.3 0.821 94.3 49.3 -49.0 -44.9 4.6 41.3 7.3 119 118 A Q H > S+ 0 0 15 -48,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.932 114.1 44.4 -67.3 -45.7 2.8 39.3 4.7 120 119 A Q H > S+ 0 0 34 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.870 110.9 56.9 -66.3 -33.8 1.3 42.3 3.0 121 120 A L H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.926 106.1 49.3 -62.0 -43.8 4.7 44.0 3.1 122 121 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.954 113.4 46.5 -60.3 -45.2 6.3 41.1 1.3 123 122 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.940 114.6 47.0 -62.7 -45.0 3.6 41.2 -1.4 124 123 A D H X S+ 0 0 64 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.895 111.2 50.0 -64.6 -42.6 3.9 45.0 -1.7 125 124 A L H < S+ 0 0 33 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.910 116.4 41.9 -63.0 -41.7 7.7 45.1 -1.9 126 125 A V H >< S+ 0 0 0 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.956 119.0 42.6 -70.0 -51.7 7.8 42.4 -4.6 127 126 A M H 3< S+ 0 0 49 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.813 115.7 46.2 -69.0 -31.2 4.8 43.6 -6.7 128 127 A N T 3< S+ 0 0 123 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.2 0.414 85.1 110.8 -95.2 3.5 5.6 47.4 -6.6 129 128 A S < - 0 0 14 -3,-0.7 4,-0.1 -4,-0.4 -3,-0.0 -0.542 67.3-137.8 -76.1 141.8 9.3 47.0 -7.4 130 129 A E S S+ 0 0 170 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.964 91.1 36.1 -62.7 -52.4 10.4 48.3 -10.9 131 130 A E S S- 0 0 131 1,-0.2 -2,-0.1 -3,-0.0 29,-0.1 -0.483 108.0 -79.4 -94.9 170.2 12.7 45.3 -11.4 132 131 A K - 0 0 104 -2,-0.2 -127,-0.6 27,-0.1 2,-0.4 -0.266 45.8-133.7 -66.8 157.0 12.0 41.7 -10.3 133 132 A V E -be 5 159A 0 25,-2.3 27,-2.0 -129,-0.1 28,-0.6 -0.931 2.4-142.9-120.4 137.0 12.7 40.8 -6.6 134 133 A T E -be 6 161A 1 -129,-2.8 -127,-2.0 -2,-0.4 2,-0.6 -0.835 16.1-150.7 -95.2 130.5 14.6 37.9 -5.2 135 134 A I E -be 7 162A 0 26,-2.3 28,-2.9 -2,-0.5 2,-0.8 -0.917 2.2-157.6-104.5 122.9 13.0 36.6 -1.9 136 135 A C E -be 8 163A 0 -129,-3.0 -127,-3.1 -2,-0.6 2,-0.7 -0.899 12.6-164.9 -99.4 111.3 15.5 34.9 0.5 137 136 A V E +be 9 164A 0 26,-2.9 28,-2.5 -2,-0.8 -127,-0.2 -0.881 25.5 157.1-104.2 113.3 13.4 32.6 2.7 138 137 A T + 0 0 0 -129,-2.6 -128,-0.2 -2,-0.7 -127,-0.2 0.338 66.1 45.7-114.3 4.2 15.2 31.5 5.8 139 138 A G S S- 0 0 1 -130,-1.0 26,-0.2 1,-0.4 -130,-0.1 -0.459 109.7 -42.1-123.4-161.1 12.2 30.6 7.9 140 139 A P - 0 0 1 0, 0.0 3,-0.5 0, 0.0 -1,-0.4 -0.105 52.8-115.7 -63.6 167.5 9.0 28.7 7.0 141 140 A L S > S+ 0 0 2 46,-0.4 4,-2.4 50,-0.3 5,-0.2 0.310 81.5 111.4 -91.1 12.8 7.2 29.2 3.6 142 141 A S H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.808 77.1 47.3 -54.2 -38.3 4.0 30.7 5.2 143 142 A N H > S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.892 111.6 46.1 -78.3 -40.3 4.5 34.1 3.8 144 143 A V H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 114.4 51.5 -66.3 -38.4 5.4 33.3 0.3 145 144 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.923 106.8 53.1 -61.3 -45.7 2.4 30.9 0.3 146 145 A W H X S+ 0 0 60 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 110.0 48.3 -56.0 -41.6 0.1 33.7 1.6 147 146 A C H X>S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.5 0.898 111.7 48.7 -67.9 -40.0 1.2 35.9 -1.2 148 147 A I H X5S+ 0 0 20 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.910 112.3 49.3 -66.9 -40.5 0.6 33.2 -3.8 149 148 A D H <5S+ 0 0 118 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.893 119.0 38.0 -66.5 -38.3 -2.8 32.5 -2.4 150 149 A K H <5S+ 0 0 103 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.924 135.0 14.7 -80.7 -42.7 -3.8 36.2 -2.4 151 150 A Y H ><5S- 0 0 45 -4,-3.1 3,-2.0 -5,-0.2 4,-0.4 0.508 78.3-176.0-113.0 -6.8 -2.2 37.4 -5.6 152 151 A G T >X S+ 0 0 133 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.716 124.6 68.9 -57.0 -23.5 0.5 35.2 -10.9 154 153 A K H <4 S+ 0 0 129 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.769 111.6 35.0 -67.8 -23.2 0.4 39.0 -10.1 155 154 A F H X4 S+ 0 0 0 -3,-2.2 3,-1.6 -4,-0.4 4,-0.3 0.877 117.9 48.4 -93.3 -53.0 2.9 38.2 -7.3 156 155 A T H >< S+ 0 0 9 -4,-2.0 3,-1.6 1,-0.3 49,-0.2 0.827 102.0 63.7 -61.0 -32.3 4.9 35.3 -8.9 157 156 A S T 3< S+ 0 0 46 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.1 0.692 103.8 49.8 -66.3 -15.9 5.5 37.2 -12.1 158 157 A K T < S+ 0 0 52 -3,-1.6 -25,-2.3 -5,-0.1 2,-0.6 0.400 88.8 98.0-101.1 -0.3 7.5 39.8 -10.2 159 158 A V E < -e 133 0A 7 -3,-1.6 46,-0.3 -4,-0.3 -25,-0.2 -0.809 53.9-165.2 -93.6 120.9 9.6 37.3 -8.3 160 159 A E E S- 0 0 90 -27,-2.0 2,-0.3 -2,-0.6 -26,-0.2 0.976 73.9 -39.7 -63.3 -56.0 13.1 36.8 -9.9 161 160 A E E -e 134 0A 20 -28,-0.6 -26,-2.3 -3,-0.1 2,-0.6 -0.959 49.8-125.2-166.0 158.5 13.5 33.7 -7.8 162 161 A C E -ef 135 206A 0 43,-2.1 45,-3.1 -2,-0.3 2,-0.7 -0.977 21.9-159.7-109.5 117.9 12.8 32.4 -4.3 163 162 A V E -ef 136 207A 0 -28,-2.9 -26,-2.9 -2,-0.6 2,-0.4 -0.916 19.9-166.6-106.2 113.5 15.9 31.1 -2.6 164 163 A I E -ef 137 208A 0 43,-3.3 45,-3.5 -2,-0.7 2,-0.7 -0.843 26.4-152.4-111.4 132.4 14.7 28.8 0.2 165 164 A M E + f 0 209A 3 -28,-2.5 2,-0.2 -2,-0.4 45,-0.2 -0.887 60.7 88.6 -95.3 114.3 16.4 27.2 3.1 166 165 A G + 0 0 0 43,-2.1 -2,-0.1 -2,-0.7 20,-0.0 -0.831 46.6 43.2 166.9 156.2 14.3 24.1 3.7 167 166 A G - 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