==== 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 STRUCTURAL GENOMICS, TRANSFERASE 22-OCT-04 1XTP . COMPND 2 MOLECULE: LMAJ004091AAA; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR M.A.ROBIEN,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGENIC PROTO . 247 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 1 0 0 1 0 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 0 118 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.8 32.4 12.5 -15.3 2 2 A P + 0 0 145 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.427 360.0 175.6 -59.6 143.0 29.3 10.5 -14.7 3 3 A G - 0 0 72 -2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.983 36.8-107.4-158.6 142.5 29.8 9.0 -11.2 4 4 A S - 0 0 131 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.420 40.2-127.8 -61.6 135.5 28.1 6.9 -8.5 5 5 A X 0 0 123 -2,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.723 360.0 360.0 -89.2 142.3 27.0 9.1 -5.5 6 6 A P 0 0 165 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.167 360.0 360.0 -57.0 360.0 28.1 8.0 -2.0 7 ! 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 8 13 A R 0 0 207 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.5 17.6 12.8 -2.5 9 14 A N + 0 0 132 2,-0.0 3,-0.1 208,-0.0 0, 0.0 -0.335 360.0 158.0-125.9 50.5 13.9 12.1 -2.8 10 15 A L - 0 0 90 1,-0.1 14,-0.0 14,-0.0 0, 0.0 -0.397 51.9 -91.5 -71.4 151.2 13.6 9.1 -5.2 11 16 A P - 0 0 91 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.341 34.8-137.7 -58.1 140.0 10.5 7.0 -5.1 12 17 A I - 0 0 9 -3,-0.1 13,-0.3 202,-0.0 186,-0.1 -0.933 23.7-163.5 -98.0 117.0 10.7 4.0 -2.8 13 18 A S + 0 0 40 -2,-0.6 186,-1.6 184,-0.2 2,-0.3 -0.366 19.9 144.2 -90.1 177.1 9.2 1.0 -4.5 14 19 A G E -Ab 22 199A 0 8,-1.8 8,-2.9 184,-0.3 2,-0.3 -0.963 28.9-129.5 176.0-160.6 8.2 -2.3 -2.8 15 20 A R E -Ab 21 200A 95 184,-1.6 186,-2.4 -2,-0.3 6,-0.2 -0.946 18.8-108.2-162.3 168.2 5.7 -5.1 -2.8 16 21 A D E > - b 0 201A 7 4,-2.4 3,-1.2 -2,-0.3 186,-0.2 -0.659 38.5-101.7-105.9 174.6 3.3 -7.1 -0.7 17 22 A T T 3 S+ 0 0 60 184,-2.0 185,-0.1 1,-0.3 -1,-0.0 0.637 121.2 58.1 -73.1 -13.9 3.6 -10.6 0.5 18 23 A N T 3 S- 0 0 133 183,-0.2 -1,-0.3 2,-0.1 184,-0.1 0.634 123.4-104.3 -83.8 -15.8 1.1 -11.9 -2.2 19 24 A G S < S+ 0 0 42 -3,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.481 70.2 145.2 106.8 7.0 3.5 -10.5 -4.8 20 25 A K - 0 0 107 1,-0.0 -4,-2.4 2,-0.0 -1,-0.3 -0.598 37.4-148.7 -71.1 136.5 1.8 -7.3 -5.9 21 26 A T E -A 15 0A 92 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.764 10.5-156.2-114.9 156.9 4.4 -4.7 -6.7 22 27 A Y E -A 14 0A 8 -8,-2.9 -8,-1.8 -2,-0.3 3,-0.1 -0.988 20.0-150.0-133.5 141.0 4.5 -0.9 -6.4 23 28 A R S S- 0 0 69 -2,-0.4 2,-0.3 -10,-0.2 -1,-0.1 0.770 86.2 -1.0 -72.8 -29.4 6.5 1.8 -8.1 24 29 A S > - 0 0 22 -13,-0.1 4,-1.5 -11,-0.1 -11,-0.2 -0.962 67.7-109.8-155.5 166.5 6.3 4.0 -5.0 25 30 A T H > S+ 0 0 12 -13,-0.3 4,-2.8 -2,-0.3 5,-0.2 0.826 117.3 60.2 -71.4 -34.6 4.9 4.3 -1.4 26 31 A D H > S+ 0 0 115 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.874 105.1 47.5 -59.0 -42.3 2.5 6.9 -2.7 27 32 A E H > S+ 0 0 88 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.887 112.7 50.5 -63.5 -42.4 1.0 4.4 -5.1 28 33 A X H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 3,-0.5 0.928 106.5 51.3 -66.0 -48.3 0.8 1.8 -2.3 29 34 A W H X S+ 0 0 28 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.827 106.5 56.4 -60.7 -31.2 -1.0 4.0 0.2 30 35 A K H < S+ 0 0 176 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.850 114.1 40.9 -65.6 -32.5 -3.6 4.9 -2.5 31 36 A A H < S+ 0 0 38 -4,-1.2 3,-0.4 -3,-0.5 -2,-0.2 0.876 122.9 37.4 -78.2 -40.1 -4.2 1.1 -2.8 32 37 A E H < S+ 0 0 12 -4,-2.8 12,-0.3 1,-0.2 -2,-0.2 0.650 105.2 63.8 -91.4 -20.0 -4.1 0.2 0.9 33 38 A L S < S+ 0 0 54 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 -0.188 70.4 134.8-106.1 43.4 -5.8 3.2 2.6 34 39 A T - 0 0 82 -3,-0.4 10,-0.3 8,-0.2 -3,-0.0 -0.536 57.7 -10.8 -88.2 153.5 -9.3 2.9 1.2 35 40 A G S S- 0 0 73 -2,-0.2 2,-0.7 8,-0.1 8,-0.0 -0.096 118.3 -7.4 66.9-157.7 -12.6 3.1 3.1 36 41 A D > - 0 0 99 1,-0.2 3,-2.2 7,-0.1 6,-0.2 -0.666 63.9-149.7 -74.3 113.3 -12.9 3.1 6.9 37 42 A L T 3 S+ 0 0 39 -2,-0.7 9,-3.0 1,-0.3 8,-1.2 0.693 94.2 53.7 -61.1 -21.6 -9.4 2.4 8.1 38 43 A Y T 3 S+ 0 0 94 7,-0.3 -1,-0.3 8,-0.2 -3,-0.1 0.293 73.2 123.3 -99.6 5.7 -10.7 0.7 11.2 39 44 A D <> - 0 0 53 -3,-2.2 4,-2.4 1,-0.1 8,-0.3 -0.558 63.2-137.3 -63.7 127.0 -13.0 -1.7 9.3 40 45 A P T 4 S+ 0 0 62 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 0.696 97.9 31.2 -65.9 -22.2 -11.8 -5.2 10.6 41 46 A E T 4 S+ 0 0 161 9,-0.0 -2,-0.1 6,-0.0 -3,-0.0 0.652 135.8 22.5-104.8 -25.5 -12.0 -6.8 7.1 42 47 A K T 4 S+ 0 0 147 -6,-0.2 2,-0.4 -8,-0.0 -8,-0.2 0.518 97.6 98.5-120.4 -10.1 -11.2 -3.9 4.8 43 48 A G X - 0 0 0 -4,-2.4 4,-3.1 1,-0.1 5,-0.3 -0.693 65.1-138.5 -99.6 134.8 -9.3 -1.4 7.0 44 49 A W H > S+ 0 0 0 -2,-0.4 4,-0.6 -10,-0.3 -1,-0.1 0.917 110.4 28.3 -48.7 -52.4 -5.5 -0.9 7.1 45 50 A Y H >> S+ 0 0 5 -8,-1.2 4,-2.1 2,-0.2 3,-0.6 0.901 119.2 57.0 -76.0 -43.9 -5.7 -0.5 10.9 46 51 A G H 3> S+ 0 0 4 -9,-3.0 4,-2.2 1,-0.3 -2,-0.2 0.842 103.3 53.0 -58.7 -40.3 -8.8 -2.6 11.5 47 52 A K H 3X S+ 0 0 54 -4,-3.1 4,-1.7 -10,-0.3 -1,-0.3 0.820 109.7 49.4 -64.3 -31.8 -7.3 -5.7 9.8 48 53 A A H < S+ 0 0 81 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.926 111.2 46.3 -61.3 -44.8 -5.4 -10.1 13.5 52 57 A W H >< S+ 0 0 13 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.735 93.5 78.5 -74.7 -19.0 -4.2 -9.4 17.0 53 58 A R H 3< S+ 0 0 136 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 103.7 35.9 -56.0 -37.8 -7.6 -10.1 18.6 54 59 A T T << S+ 0 0 97 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.311 89.3 110.7-102.6 8.0 -6.9 -13.8 18.3 55 60 A V S < S- 0 0 16 -3,-1.2 6,-0.0 -4,-0.2 7,-0.0 -0.682 79.5-106.9 -78.0 130.7 -3.1 -13.8 19.0 56 61 A P - 0 0 80 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 -0.297 23.0-121.0 -55.7 142.8 -2.4 -15.5 22.4 57 62 A A S S+ 0 0 21 4,-0.1 2,-0.3 65,-0.1 3,-0.0 -0.527 77.4 111.0 -84.2 68.6 -1.4 -13.0 25.1 58 63 A T S > S- 0 0 60 -2,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.913 85.0-106.7-137.4 163.1 1.9 -14.9 25.5 59 64 A V H > S+ 0 0 50 -2,-0.3 4,-1.9 1,-0.2 7,-0.2 0.889 123.6 54.4 -58.3 -38.3 5.6 -14.1 24.8 60 65 A S H 4>S+ 0 0 43 1,-0.2 5,-3.5 2,-0.2 6,-0.4 0.912 107.4 52.3 -62.1 -40.3 5.4 -16.6 22.0 61 66 A G H >45S+ 0 0 12 1,-0.2 3,-0.8 3,-0.2 -2,-0.2 0.887 112.1 41.9 -60.5 -45.4 2.4 -14.6 20.6 62 67 A V H 3<5S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.777 116.1 50.6 -77.2 -22.4 4.1 -11.2 20.7 63 68 A L T ><5S- 0 0 13 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.2 0.169 112.3-116.7-101.5 15.8 7.3 -12.7 19.3 64 69 A G T < 5S- 0 0 65 -3,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.826 74.8 -51.9 56.4 39.5 5.6 -14.4 16.4 65 70 A G T 3 + 0 0 64 1,-0.3 3,-1.5 -2,-0.2 4,-0.3 0.730 60.2 66.4 -49.6 -35.1 10.5 -17.0 21.7 68 73 A H G 3 S+ 0 0 183 1,-0.3 4,-0.4 -3,-0.2 -1,-0.3 0.517 87.0 67.2 -77.0 -5.8 14.2 -17.6 21.8 69 74 A V G <> S+ 0 0 14 -3,-2.1 4,-2.3 1,-0.1 -1,-0.3 0.506 78.1 90.5 -85.1 -5.1 15.2 -14.2 20.5 70 75 A H H <> S+ 0 0 23 -3,-1.5 4,-2.7 -4,-0.2 5,-0.2 0.939 82.2 47.9 -57.3 -55.2 13.9 -12.6 23.7 71 76 A D H > S+ 0 0 128 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.899 114.8 44.7 -59.1 -47.4 17.1 -12.7 25.8 72 77 A V H > S+ 0 0 28 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.907 112.8 53.0 -63.3 -41.5 19.4 -11.2 23.1 73 78 A D H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.925 111.0 45.3 -58.2 -48.6 16.8 -8.6 22.2 74 79 A I H X S+ 0 0 19 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.890 113.3 49.5 -66.7 -39.4 16.5 -7.4 25.8 75 80 A E H X S+ 0 0 86 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.926 110.0 51.4 -67.0 -43.0 20.3 -7.3 26.4 76 81 A G H X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.893 112.2 46.5 -56.3 -43.9 20.9 -5.4 23.1 77 82 A S H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.2 5,-0.3 0.904 111.7 50.9 -65.4 -44.5 18.3 -2.8 24.2 78 83 A R H X S+ 0 0 94 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.933 113.2 44.7 -60.8 -47.1 19.7 -2.5 27.7 79 84 A N H X S+ 0 0 74 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.889 114.9 49.7 -63.6 -39.7 23.3 -1.9 26.4 80 85 A F H >< S+ 0 0 12 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.958 112.9 44.9 -64.3 -51.8 22.0 0.5 23.8 81 86 A I H >< S+ 0 0 1 -4,-3.2 3,-1.8 1,-0.2 -2,-0.2 0.882 107.9 59.3 -61.1 -39.4 20.0 2.6 26.3 82 87 A A H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.846 102.6 55.1 -55.1 -35.4 22.9 2.5 28.7 83 88 A S T << S+ 0 0 64 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.441 79.4 110.0 -80.3 -3.4 25.0 4.2 26.1 84 89 A L S X S- 0 0 3 -3,-1.8 3,-1.2 -4,-0.2 2,-0.1 -0.653 73.8-118.1 -81.1 124.1 22.7 7.2 25.6 85 90 A P T 3 S- 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.361 86.6 -8.0 -63.8 138.3 24.2 10.5 26.9 86 91 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.803 85.2 170.3 45.3 40.6 22.3 12.2 29.7 87 92 A H < - 0 0 47 -3,-1.2 99,-0.2 -6,-0.1 -1,-0.2 -0.661 30.7-125.8 -79.1 134.2 19.3 9.9 29.3 88 93 A G - 0 0 10 97,-2.6 99,-0.1 -2,-0.3 -1,-0.1 -0.302 13.3-155.8 -77.0 166.8 16.8 10.4 32.2 89 94 A T + 0 0 84 22,-0.1 23,-1.8 -2,-0.0 3,-0.1 0.169 65.5 84.8-131.0 18.5 15.6 7.5 34.4 90 95 A S S S+ 0 0 72 1,-0.2 23,-2.7 21,-0.2 2,-0.4 0.970 89.1 18.3 -87.1 -70.2 12.2 8.7 35.8 91 96 A R E -d 113 0B 72 62,-0.2 64,-2.8 21,-0.2 65,-1.5 -0.908 59.0-179.3-117.9 132.0 9.3 7.9 33.5 92 97 A A E -de 114 156B 0 21,-2.5 23,-2.9 -2,-0.4 2,-0.4 -0.832 13.0-152.5-119.1 160.7 9.0 5.5 30.5 93 98 A L E -de 115 157B 0 63,-1.5 65,-3.1 -2,-0.3 2,-0.7 -0.993 4.8-155.1-135.3 126.5 6.2 4.7 28.0 94 99 A D E > -de 116 158B 0 21,-2.6 23,-2.9 -2,-0.4 3,-0.7 -0.898 17.4-159.4-105.9 102.1 6.0 1.3 26.3 95 100 A C E 3 S+de 117 159B 0 63,-2.4 65,-0.7 -2,-0.7 23,-0.2 -0.696 76.9 9.9 -89.9 138.7 4.0 1.8 23.0 96 101 A G T 3 S+ 0 0 0 21,-1.4 -1,-0.3 -2,-0.3 22,-0.2 0.943 85.9 171.8 54.3 49.0 2.4 -1.2 21.4 97 102 A A X> - 0 0 0 20,-2.0 3,-1.9 -3,-0.7 4,-0.7 0.663 9.6-174.7 -66.8 -24.3 3.2 -2.9 24.6 98 103 A G T 34 S- 0 0 0 1,-0.3 29,-0.3 19,-0.2 -1,-0.2 -0.459 75.7 -10.4 61.8-122.2 1.3 -6.1 24.0 99 104 A I T 34 S- 0 0 8 -2,-0.3 -1,-0.3 -41,-0.1 31,-0.1 0.215 105.7 -98.8 -91.9 12.5 1.6 -8.2 27.2 100 105 A G T <> S+ 0 0 1 -3,-1.9 4,-3.2 3,-0.1 5,-0.2 0.745 71.0 150.1 81.6 27.4 4.3 -5.8 28.6 101 106 A R H X S+ 0 0 4 -4,-0.7 4,-2.0 2,-0.2 5,-0.1 0.875 74.4 42.7 -58.0 -46.8 7.3 -7.9 27.8 102 107 A I H >>S+ 0 0 1 -5,-0.3 5,-1.8 2,-0.2 4,-1.8 0.905 116.8 48.0 -69.3 -42.2 9.7 -4.9 27.3 103 108 A T H 4>S+ 0 0 0 3,-0.2 5,-2.3 -6,-0.2 -2,-0.2 0.937 114.0 47.5 -60.9 -45.5 8.3 -3.2 30.5 104 109 A K H <5S+ 0 0 33 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 123.0 30.7 -64.2 -42.8 8.6 -6.4 32.5 105 110 A N H <5S+ 0 0 58 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.515 137.0 8.2-100.8 -10.6 12.1 -7.3 31.5 106 111 A L T >X5S+ 0 0 2 -4,-1.8 3,-1.1 -5,-0.1 4,-0.7 0.599 119.0 49.9-132.9 -55.4 13.8 -4.0 30.9 107 112 A L H >>> - 0 0 11 22,-0.2 4,-2.5 1,-0.1 3,-0.7 -0.766 66.7-150.9 -91.2 120.7 -5.8 -4.8 22.1 121 126 A K H 3> S+ 0 0 71 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.854 92.5 46.6 -61.0 -47.4 -7.8 -5.4 25.2 122 127 A H H 3> S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.745 113.5 51.7 -72.3 -20.2 -6.8 -9.0 26.0 123 128 A X H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.926 112.8 43.9 -73.7 -48.9 -3.1 -8.0 25.5 124 129 A L H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.861 112.2 53.3 -64.1 -38.9 -3.4 -5.0 27.9 125 130 A E H X S+ 0 0 71 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.890 109.1 48.4 -63.1 -43.0 -5.3 -7.1 30.5 126 131 A E H X S+ 0 0 49 -4,-1.2 4,-2.7 1,-0.2 5,-0.2 0.879 106.8 56.8 -65.4 -40.1 -2.7 -9.7 30.5 127 132 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -29,-0.3 -2,-0.2 0.893 102.7 55.7 -52.1 -46.0 0.0 -7.0 30.9 128 133 A K H < S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.3 42.6 -54.8 -42.5 -1.8 -5.9 34.0 129 134 A R H >< S+ 0 0 147 -4,-1.3 3,-1.0 1,-0.2 -2,-0.2 0.880 114.8 48.5 -71.5 -40.6 -1.5 -9.4 35.5 130 135 A E H 3< S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.791 114.9 47.0 -73.6 -22.8 2.1 -9.9 34.4 131 136 A L T >< S+ 0 0 5 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.213 77.8 142.7-103.4 15.7 3.1 -6.6 35.8 132 137 A A T < S+ 0 0 77 -3,-1.0 -3,-0.1 1,-0.3 -4,-0.0 -0.329 73.6 11.1 -64.6 132.4 1.3 -6.9 39.2 133 138 A G T 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.792 102.8 118.7 69.8 31.7 3.4 -5.3 42.0 134 139 A X S < S- 0 0 67 -3,-1.2 2,-3.1 2,-0.0 -1,-0.3 -0.845 82.7 -90.2-124.0 160.1 5.9 -3.6 39.7 135 140 A P S S+ 0 0 58 0, 0.0 -21,-1.6 0, 0.0 2,-0.3 -0.279 76.3 138.9 -68.7 62.6 6.7 0.1 39.2 136 141 A V E -f 114 0B 29 -2,-3.1 -21,-0.2 -23,-0.2 3,-0.1 -0.808 30.4-175.3-111.0 147.3 4.1 0.6 36.5 137 142 A G E + 0 0 32 -23,-2.6 2,-0.2 1,-0.3 -22,-0.2 0.600 53.5 9.8-104.8-103.5 1.8 3.6 36.1 138 143 A K E - 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