==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-05 2FF1 . COMPND 2 MOLECULE: IAG-NUCLEOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA VIVAX; . AUTHOR W.VERSEES,J.BARLOW,J.STEYAERT . 630 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 75.1 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 . 24 3.8 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 . 60 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 32.1 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 2 0 5 5 2 0 0 2 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 . 1 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 0 A S 0 0 162 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 133.6 24.0 46.8 -10.2 2 2 A A - 0 0 20 24,-0.2 2,-0.4 27,-0.1 27,-0.3 -0.364 360.0-127.8 -75.8 157.6 22.5 45.2 -7.1 3 3 A K E -a 29 0A 74 25,-2.0 27,-2.6 -2,-0.1 2,-0.2 -0.840 25.6-102.7-108.6 146.3 19.3 43.2 -7.2 4 4 A N E -ab 30 132A 12 127,-0.5 129,-3.0 -2,-0.4 2,-0.4 -0.465 45.3-179.7 -66.6 132.2 16.2 43.7 -5.1 5 5 A V E -ab 31 133A 0 25,-2.1 27,-1.8 127,-0.2 28,-0.7 -0.995 18.1-164.2-136.5 139.6 16.0 41.1 -2.3 6 6 A V E -ab 33 134A 0 127,-2.3 129,-2.9 -2,-0.4 2,-0.6 -0.991 16.4-143.5-122.6 132.4 13.5 40.5 0.5 7 7 A L E -ab 34 135A 0 26,-2.2 28,-2.1 -2,-0.4 2,-0.7 -0.870 11.9-169.7 -99.4 122.0 14.5 38.3 3.5 8 8 A D E +ab 35 136A 0 127,-2.9 129,-2.3 -2,-0.6 130,-1.0 -0.884 29.6 157.1-111.5 97.2 11.6 36.2 4.8 9 9 A H E -a 36 0A 0 26,-2.3 28,-2.5 -2,-0.7 129,-0.1 -0.689 48.5-140.4-125.2 173.0 13.0 34.7 8.0 10 10 A D - 0 0 1 26,-0.2 30,-0.2 -2,-0.2 29,-0.2 0.010 51.6-107.2-123.6 30.3 12.0 33.2 11.4 11 11 A G + 0 0 0 1,-0.1 31,-0.2 35,-0.1 2,-0.1 0.605 67.3 133.1 62.9 20.7 14.6 34.8 13.8 12 12 A N S > S- 0 0 16 29,-0.1 4,-1.7 74,-0.1 5,-0.2 -0.406 71.7 -88.2 -91.6-177.0 17.0 32.1 14.7 13 13 A L H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 126.5 44.8 -56.7 -48.4 20.8 32.5 14.7 14 14 A D H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.826 107.2 61.7 -69.5 -25.9 21.5 31.5 11.1 15 15 A D H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 108.3 43.8 -60.3 -43.5 18.5 33.7 10.1 16 16 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.873 111.4 51.2 -73.6 -34.2 20.4 36.6 11.5 17 17 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 110.4 51.8 -66.8 -38.9 23.8 35.6 10.0 18 18 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.913 107.9 51.9 -61.2 -40.2 21.9 35.4 6.7 19 19 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.923 107.9 51.2 -62.7 -43.6 20.6 38.9 7.2 20 20 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.923 109.2 51.5 -60.7 -43.1 24.1 40.2 7.9 21 21 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.930 113.8 42.5 -58.7 -48.9 25.3 38.6 4.7 22 22 A L H < S+ 0 0 1 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.916 117.1 47.6 -64.8 -43.8 22.6 40.1 2.5 23 23 A A H < S+ 0 0 0 -4,-2.8 3,-0.2 -5,-0.2 -1,-0.2 0.806 110.6 50.3 -69.8 -30.4 22.8 43.5 4.2 24 24 A S H < S+ 0 0 11 -4,-2.4 2,-1.1 -5,-0.2 -1,-0.2 0.730 95.5 72.1 -82.5 -20.9 26.6 43.8 4.0 25 25 A N >X + 0 0 30 -4,-1.2 4,-3.1 -3,-0.2 3,-1.2 -0.456 53.1 157.3 -94.3 63.3 26.9 43.0 0.3 26 26 A T T 34 + 0 0 63 -2,-1.1 -1,-0.2 1,-0.3 -24,-0.2 0.711 67.1 64.8 -60.4 -22.8 25.5 46.2 -1.1 27 27 A E T 34 S+ 0 0 155 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.869 120.2 21.0 -67.7 -35.8 27.3 45.7 -4.4 28 28 A K T <4 S+ 0 0 98 -3,-1.2 -25,-2.0 1,-0.2 2,-0.4 0.739 124.9 48.7-103.1 -30.6 25.2 42.6 -5.1 29 29 A V E < -a 3 0A 3 -4,-3.1 2,-0.7 -27,-0.3 -1,-0.2 -0.952 49.7-167.7-122.8 132.5 22.2 43.0 -2.9 30 30 A R E -a 4 0A 101 -27,-2.6 -25,-2.1 -2,-0.4 2,-1.0 -0.939 23.8-150.5-112.7 102.0 19.8 45.9 -2.4 31 31 A L E +a 5 0A 11 -2,-0.7 -25,-0.2 -27,-0.2 -27,-0.1 -0.659 22.3 173.5 -79.5 102.7 17.9 44.7 0.7 32 32 A I E - 0 0 35 -27,-1.8 2,-0.3 -2,-1.0 -26,-0.2 0.402 57.2 -25.9 -92.4 2.3 14.4 46.3 0.3 33 33 A G E -a 6 0A 0 -28,-0.7 -26,-2.2 33,-0.2 2,-0.3 -0.912 47.3-144.4 165.9 167.1 12.7 44.6 3.2 34 34 A A E -ac 7 68A 0 33,-2.1 35,-2.5 -2,-0.3 2,-0.4 -0.993 5.3-159.2-152.5 150.9 12.3 41.8 5.7 35 35 A L E -ac 8 69A 0 -28,-2.1 -26,-2.3 -2,-0.3 2,-0.5 -0.976 12.1-145.7-132.1 148.7 9.6 39.9 7.5 36 36 A C E -ac 9 70A 0 33,-2.7 35,-2.5 -2,-0.4 2,-0.4 -0.963 7.9-154.8-119.5 129.7 9.8 37.8 10.7 37 37 A T - 0 0 0 -28,-2.5 2,-2.9 -2,-0.5 3,-0.3 -0.853 24.2-123.6-106.8 136.5 7.7 34.7 11.3 38 38 A D S S+ 0 0 58 33,-0.4 37,-0.3 -2,-0.4 -28,-0.1 -0.346 84.6 96.1 -72.4 61.5 6.9 33.5 14.8 39 39 A A S S+ 0 0 0 -2,-2.9 40,-0.4 -29,-0.2 -1,-0.2 0.674 87.7 19.5-112.9 -84.0 8.5 30.1 14.1 40 40 A D S S+ 0 0 16 -3,-0.3 2,-0.3 -30,-0.2 47,-0.2 0.062 137.8 17.3 -80.8 25.9 12.1 29.5 15.2 41 41 A C S S- 0 0 0 -4,-0.1 2,-0.6 45,-0.1 44,-0.2 -0.945 96.5 -83.0-172.0-178.8 11.7 32.4 17.6 42 42 A F >> - 0 0 67 42,-0.7 4,-2.2 -2,-0.3 3,-1.2 -0.952 44.1-130.8-105.1 119.2 9.0 34.5 19.2 43 43 A V H 3> S+ 0 0 28 -2,-0.6 4,-3.5 1,-0.3 5,-0.2 0.785 102.1 57.7 -39.9 -46.9 8.1 37.2 16.6 44 44 A E H 3> S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.911 112.6 40.8 -55.9 -43.8 8.5 40.2 18.9 45 45 A N H <> S+ 0 0 28 -3,-1.2 4,-2.6 2,-0.2 5,-0.2 0.907 115.5 50.5 -70.6 -42.7 12.1 39.3 19.7 46 46 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.905 111.6 50.3 -58.6 -42.5 12.8 38.4 16.1 47 47 A F H X S+ 0 0 0 -4,-3.5 4,-2.3 -5,-0.2 -2,-0.2 0.938 112.2 45.3 -60.0 -53.4 11.3 41.7 15.1 48 48 A N H X S+ 0 0 28 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.862 112.7 50.1 -63.1 -36.8 13.4 43.7 17.6 49 49 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.940 109.1 52.3 -68.6 -43.3 16.6 41.9 16.7 50 50 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.933 113.0 45.4 -56.0 -46.5 16.0 42.4 13.0 51 51 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.909 112.3 49.6 -65.3 -41.6 15.6 46.1 13.7 52 52 A K H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.889 112.0 48.3 -66.1 -38.2 18.6 46.4 16.0 53 53 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.945 112.8 48.9 -65.6 -46.2 20.8 44.7 13.4 54 54 A M H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.896 114.8 44.1 -59.5 -43.3 19.5 46.9 10.7 55 55 A C H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.848 109.5 55.9 -73.5 -34.6 20.1 50.1 12.8 56 56 A L H < S+ 0 0 1 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.937 115.0 40.2 -60.2 -45.1 23.5 48.9 13.9 57 57 A M H >X S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 4,-1.1 0.928 111.5 54.7 -70.4 -45.5 24.5 48.6 10.3 58 58 A H H 3< S+ 0 0 65 -4,-2.8 5,-0.2 1,-0.3 3,-0.2 0.830 108.7 50.6 -58.1 -33.2 22.8 51.8 9.0 59 59 A N T 3< S+ 0 0 55 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.495 118.0 37.9 -84.3 -0.7 24.6 53.8 11.6 60 60 A N T <4 S+ 0 0 64 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.363 123.0 8.6-130.7 5.1 28.0 52.3 10.7 61 61 A M S < S- 0 0 38 -4,-1.1 2,-0.9 -3,-0.2 -1,-0.2 -0.958 92.9 -70.2-168.9 171.8 28.0 52.0 6.9 62 62 A N S S+ 0 0 149 -2,-0.3 -36,-0.1 -3,-0.1 -4,-0.1 -0.689 71.3 133.1 -80.2 108.1 26.0 52.9 3.8 63 63 A L - 0 0 10 -2,-0.9 -2,-0.1 -5,-0.2 -3,-0.1 -0.803 49.9-131.3-155.4 107.6 22.8 50.7 4.0 64 64 A P - 0 0 88 0, 0.0 -33,-0.1 0, 0.0 -6,-0.1 -0.279 27.8-108.9 -64.0 148.9 19.4 52.2 3.5 65 65 A L - 0 0 64 -7,-0.1 -10,-0.0 -10,-0.0 -11,-0.0 -0.369 38.5-168.6 -69.6 157.9 16.7 51.4 6.0 66 66 A F - 0 0 10 -2,-0.0 -33,-0.2 -32,-0.0 2,-0.1 -0.968 29.0 -85.4-144.9 158.2 14.0 49.1 4.8 67 67 A P - 0 0 26 0, 0.0 -33,-2.1 0, 0.0 2,-0.5 -0.380 34.8-158.8 -69.4 143.6 10.6 48.0 6.2 68 68 A I E -c 34 0A 0 -35,-0.2 2,-0.4 -2,-0.1 47,-0.3 -0.988 12.4-169.0-123.4 123.1 10.4 45.2 8.7 69 69 A G E -c 35 0A 0 -35,-2.5 -33,-2.7 -2,-0.5 2,-0.6 -0.875 21.8-132.0-119.8 148.4 7.1 43.3 9.1 70 70 A K E -cd 36 116A 31 45,-0.6 47,-3.1 -2,-0.4 48,-0.2 -0.843 28.0-138.2 -93.3 123.1 5.8 40.8 11.6 71 71 A S - 0 0 9 -35,-2.5 -33,-0.4 -2,-0.6 -28,-0.1 -0.559 4.7-149.6 -79.3 146.1 4.1 37.9 9.8 72 72 A A + 0 0 60 -2,-0.2 -1,-0.1 -35,-0.1 -35,-0.1 0.251 53.1 132.1 -97.7 9.9 0.8 36.6 11.1 73 73 A A - 0 0 13 1,-0.0 -35,-0.4 0, 0.0 2,-0.4 -0.325 42.7-155.1 -61.8 146.3 1.5 33.1 9.9 74 74 A T - 0 0 110 -37,-0.1 -35,-0.1 67,-0.0 -2,-0.1 -0.957 19.3 -97.8-127.6 146.5 0.9 30.4 12.5 75 75 A A - 0 0 35 -2,-0.4 115,-0.2 -37,-0.3 114,-0.1 -0.064 16.2-167.5 -63.6 157.9 2.4 27.0 12.8 76 76 A V S S+ 0 0 66 113,-2.8 114,-0.2 1,-0.2 -1,-0.1 0.593 100.7 11.5-107.7 -32.1 1.1 23.6 11.7 77 77 A N S S- 0 0 19 112,-1.5 -1,-0.2 108,-0.1 113,-0.0 -0.796 91.2-138.5-150.5 97.9 3.9 22.1 13.8 78 78 A P - 0 0 80 0, 0.0 -39,-0.1 0, 0.0 3,-0.1 -0.130 18.7-108.1 -60.4 148.0 5.8 24.4 16.1 79 79 A F - 0 0 10 -40,-0.4 2,-0.1 1,-0.1 5,-0.1 -0.426 51.5 -84.4 -72.0 150.4 9.6 24.5 16.7 80 80 A P >> - 0 0 48 0, 0.0 3,-1.8 0, 0.0 4,-1.2 -0.368 37.8-123.2 -59.9 128.9 10.8 23.2 20.1 81 81 A K H 3> S+ 0 0 69 1,-0.3 4,-1.1 2,-0.2 -2,-0.1 0.759 105.1 74.4 -41.6 -32.3 10.6 26.1 22.6 82 82 A E H 34 S+ 0 0 78 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.888 102.0 36.0 -51.2 -48.6 14.3 25.5 23.3 83 83 A W H X4 S+ 0 0 108 -3,-1.8 3,-2.1 1,-0.2 4,-0.3 0.867 105.0 70.1 -76.3 -37.1 15.5 27.1 20.0 84 84 A R H >< S+ 0 0 38 -4,-1.2 3,-0.7 1,-0.3 -42,-0.7 0.751 90.4 62.4 -53.3 -29.1 12.8 29.8 19.8 85 85 A C T >X S+ 0 0 58 -4,-1.1 4,-1.5 -3,-0.3 3,-0.9 0.642 75.8 89.4 -76.0 -12.5 14.3 31.7 22.7 86 86 A L H <> S+ 0 0 36 -3,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.837 83.1 57.0 -54.3 -34.5 17.6 32.4 21.0 87 87 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.3 -1,-0.3 0.892 103.1 55.2 -63.3 -37.1 16.2 35.7 19.5 88 88 A K H <> S+ 0 0 76 -3,-0.9 4,-0.7 -4,-0.3 -1,-0.2 0.902 108.3 49.0 -61.5 -40.5 15.5 36.8 23.1 89 89 A N H >< S+ 0 0 34 -4,-1.5 3,-1.2 1,-0.2 4,-0.4 0.944 111.4 47.2 -64.7 -49.1 19.1 36.2 23.9 90 90 A M H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.3 6,-0.2 0.845 102.6 65.7 -61.8 -32.7 20.4 38.1 20.9 91 91 A D H 3< S+ 0 0 11 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.774 105.7 43.7 -60.5 -24.9 18.0 40.9 21.8 92 92 A D T << S+ 0 0 7 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.439 84.4 122.7-100.1 -0.4 20.0 41.5 25.0 93 93 A M X - 0 0 6 -3,-1.4 3,-1.0 -4,-0.4 4,-0.4 -0.306 66.1-129.4 -60.8 140.6 23.4 41.3 23.5 94 94 A P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 452,-0.2 0.898 104.4 60.4 -62.3 -34.8 25.5 44.3 24.1 95 95 A I G 3 S+ 0 0 7 1,-0.3 3,-0.4 2,-0.1 142,-0.1 0.752 107.4 47.1 -64.6 -21.5 26.5 44.8 20.4 96 96 A L G < S+ 0 0 2 -3,-1.0 -1,-0.3 -6,-0.2 -41,-0.1 0.412 107.2 59.1 -97.6 1.0 22.8 45.2 19.5 97 97 A N < + 0 0 8 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.096 61.1 142.4-122.0 35.0 22.1 47.6 22.3 98 98 A I >> - 0 0 23 -3,-0.4 4,-2.2 1,-0.1 3,-1.2 -0.663 57.0-124.7 -73.4 127.6 24.4 50.6 21.6 99 99 A P H 3> S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.800 105.1 52.7 -43.6 -48.2 22.4 53.7 22.5 100 100 A E H 3> S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.848 115.0 43.8 -61.5 -33.3 22.6 55.6 19.2 101 101 A N H <> S+ 0 0 2 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.880 113.9 47.8 -80.0 -40.3 21.4 52.5 17.4 102 102 A V H X S+ 0 0 31 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.888 110.9 52.9 -66.9 -38.3 18.7 51.6 19.8 103 103 A E H X S+ 0 0 124 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.920 108.1 50.7 -63.2 -42.1 17.5 55.2 19.7 104 104 A L H X S+ 0 0 24 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.943 111.9 47.5 -60.2 -45.1 17.4 55.0 15.9 105 105 A W H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 3,-0.4 0.924 110.0 52.0 -60.3 -45.5 15.3 51.8 16.1 106 106 A D H < S+ 0 0 98 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.869 108.4 54.4 -57.9 -35.3 13.0 53.5 18.7 107 107 A K H < S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.813 118.5 30.3 -68.4 -35.3 12.6 56.4 16.2 108 108 A I H X S+ 0 0 31 -4,-1.5 4,-1.5 -3,-0.4 -1,-0.2 0.402 93.6 95.8-105.8 0.1 11.5 54.2 13.2 109 109 A K H X S+ 0 0 37 -4,-1.4 4,-2.4 1,-0.2 -2,-0.1 0.877 78.6 57.7 -57.8 -42.5 9.8 51.5 15.2 110 110 A A H > S+ 0 0 65 -4,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.927 104.0 50.7 -57.8 -48.7 6.3 53.0 14.9 111 111 A E H >4 S+ 0 0 103 -4,-0.2 3,-0.6 1,-0.2 4,-0.2 0.921 115.9 42.3 -57.7 -42.9 6.3 53.0 11.1 112 112 A N H >< S+ 0 0 10 -4,-1.5 3,-1.4 1,-0.2 -42,-0.3 0.804 100.8 67.9 -74.7 -31.8 7.3 49.3 11.0 113 113 A E H 3< S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.707 94.8 60.9 -62.0 -19.1 5.0 48.0 13.8 114 114 A K T << S+ 0 0 143 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.649 83.2 99.0 -85.8 -14.1 2.0 48.8 11.5 115 115 A Y < - 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0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.4 -0.165 52.2-120.1 -65.5 165.7 8.8 28.3 6.8 140 140 A L S > S+ 0 0 3 46,-0.4 4,-2.2 50,-0.2 5,-0.2 0.192 80.1 110.6 -95.3 18.0 7.1 28.9 3.4 141 141 A S H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 77.1 49.7 -60.7 -34.0 3.8 30.1 4.9 142 142 A N H > S+ 0 0 1 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.882 110.8 45.4 -77.0 -40.2 4.4 33.7 3.6 143 143 A V H > S+ 0 0 0 2,-0.2 4,-2.3 -4,-0.2 5,-0.2 0.912 114.1 51.8 -67.3 -42.0 5.2 33.0 0.1 144 144 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.915 107.3 53.0 -59.0 -45.3 2.3 30.5 -0.1 145 145 A W H X S+ 0 0 72 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.895 109.6 47.9 -56.8 -45.0 -0.0 33.2 1.3 146 146 A C H X>S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.5 0.886 113.6 47.4 -65.4 -39.3 1.1 35.6 -1.5 147 147 A I H X5S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.918 112.2 50.5 -66.5 -44.0 0.6 33.0 -4.1 148 148 A D H <5S+ 0 0 114 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.869 119.8 35.8 -62.6 -38.1 -2.8 32.1 -2.7 149 149 A K H <5S+ 0 0 106 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.828 134.4 16.7 -88.7 -32.5 -3.9 35.7 -2.7 150 150 A Y H ><5S- 0 0 47 -4,-3.0 3,-1.8 -5,-0.2 4,-0.4 0.545 76.6-178.6-119.7 -8.3 -2.3 37.2 -5.8 151 151 A G T >X S+ 0 0 130 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.744 124.8 67.4 -51.8 -31.4 0.5 35.4 -11.3 153 153 A K H <4 S+ 0 0 119 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.807 113.4 33.1 -62.4 -26.2 0.3 39.0 -10.3 154 154 A F H X4 S+ 0 0 0 -3,-2.4 3,-1.4 -4,-0.4 4,-0.3 0.893 119.6 46.8 -93.5 -54.4 2.8 38.1 -7.5 155 155 A T H >< S+ 0 0 9 -4,-2.1 3,-2.0 1,-0.3 49,-0.2 0.859 103.0 62.3 -60.3 -37.2 4.9 35.3 -9.1 156 156 A S T 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -3,-0.1 0.740 103.9 53.1 -61.8 -19.2 5.5 37.1 -12.4 157 157 A K T < S+ 0 0 46 -3,-1.4 -25,-2.4 -5,-0.2 2,-0.6 0.443 87.7 96.7 -94.6 -1.7 7.3 39.7 -10.2 158 158 A V E < -e 132 0A 9 -3,-2.0 46,-0.3 -4,-0.3 -25,-0.2 -0.796 53.5-165.3 -94.0 121.3 9.6 37.3 -8.5 159 159 A E E S- 0 0 90 -27,-1.6 2,-0.3 -2,-0.6 -26,-0.2 0.984 75.4 -38.1 -63.8 -55.0 13.1 36.9 -10.0 160 160 A E E -e 133 0A 17 -28,-0.6 -26,-2.4 -3,-0.1 2,-0.6 -0.970 48.7-125.3-167.9 154.6 13.5 33.8 -7.9 161 161 A C E -ef 134 205A 0 43,-2.6 45,-2.8 -2,-0.3 2,-0.8 -0.943 23.5-160.3-104.8 113.4 12.7 32.3 -4.6 162 162 A V E -ef 135 206A 0 -28,-3.3 -26,-2.5 -2,-0.6 2,-0.4 -0.870 18.7-165.7-100.8 111.8 15.8 31.0 -2.9 163 163 A I E -ef 136 207A 0 43,-3.7 45,-4.1 -2,-0.8 2,-0.7 -0.819 26.0-157.6-108.6 133.8 14.7 28.6 -0.2 164 164 A M E + f 0 208A 3 -28,-2.4 2,-0.3 -2,-0.4 45,-0.2 -0.918 58.9 87.9-100.9 111.5 16.4 26.9 2.7 165 165 A G + 0 0 0 43,-1.9 -2,-0.1 -2,-0.7 20,-0.1 -0.876 49.1 40.9 168.7 159.5 14.4 23.8 3.4 166 166 A G - 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