==== 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 TRANSFERASE 29-DEC-98 5EAA . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.J.JEFFERY,L.M.GLOSS,G.A.PETSKO,D.RINGE . 396 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 1 0 2 0 2 0 1 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 3 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 M 0 0 178 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -11.4 114.9 29.9 55.3 2 6 A F > + 0 0 164 1,-0.1 3,-0.5 2,-0.1 0, 0.0 0.397 360.0 90.4-109.3 3.9 117.1 28.1 52.9 3 7 A E T 3 S+ 0 0 162 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.723 86.1 51.3 -73.2 -18.5 115.6 24.7 53.3 4 8 A N T 3 S+ 0 0 119 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.646 83.1 126.0 -89.5 -18.0 113.1 25.2 50.5 5 9 A I < - 0 0 108 -3,-0.5 2,-0.3 1,-0.1 3,-0.1 -0.169 55.7-131.2 -53.3 129.7 115.8 26.4 48.0 6 10 A T - 0 0 124 1,-0.1 -1,-0.1 3,-0.0 -2,-0.1 -0.631 25.6-102.5 -85.8 134.5 116.0 24.6 44.6 7 11 A A - 0 0 87 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.157 40.6-120.1 -48.9 134.2 119.3 23.3 43.1 8 12 A A - 0 0 91 1,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.672 33.6-104.5 -81.1 142.4 120.4 25.7 40.5 9 13 A P - 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.471 39.2-105.4 -67.1 134.1 120.6 24.0 37.0 10 14 A A - 0 0 86 -2,-0.2 4,-0.0 1,-0.1 5,-0.0 -0.127 20.9-132.2 -56.2 157.6 124.2 23.2 35.8 11 15 A D - 0 0 78 2,-0.0 3,-0.3 0, 0.0 -1,-0.1 0.617 16.6-149.5 -93.7 -6.7 125.7 25.4 33.0 12 16 A P S S+ 0 0 69 0, 0.0 2,-0.2 0, 0.0 359,-0.1 0.910 95.6 46.0 25.9 69.4 127.1 22.8 30.5 13 17 A I S >> S+ 0 0 34 357,-0.1 4,-1.3 356,-0.0 3,-1.0 -0.624 127.9 28.7 171.2 -72.0 130.0 25.0 29.3 14 18 A L T 34 S+ 0 0 127 -3,-0.3 4,-0.4 1,-0.3 -4,-0.0 0.817 129.2 46.3 -71.4 -24.8 130.8 25.9 32.9 15 19 A G T 3> S+ 0 0 27 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.590 103.1 65.0 -90.1 -11.9 129.4 22.5 33.8 16 20 A L H <> S+ 0 0 33 -3,-1.0 4,-0.7 1,-0.2 3,-0.2 0.834 85.6 70.9 -77.9 -34.2 131.4 20.8 31.0 17 21 A A H >X S+ 0 0 47 -4,-1.3 4,-2.5 1,-0.2 3,-1.5 0.897 90.0 62.5 -45.5 -55.1 134.8 21.5 32.5 18 22 A D H 34 S+ 0 0 101 -4,-0.4 5,-0.2 1,-0.3 -1,-0.2 0.874 98.6 49.4 -41.5 -62.8 134.4 19.1 35.3 19 23 A L H 3X S+ 0 0 74 -4,-0.5 4,-0.8 1,-0.3 3,-0.5 0.703 112.5 51.6 -58.2 -18.7 134.0 15.8 33.4 20 24 A F H X< S+ 0 0 32 -3,-1.5 2,-2.6 -4,-0.7 3,-1.1 0.929 106.7 52.5 -78.1 -51.8 137.1 16.8 31.5 21 25 A R T 3< S+ 0 0 171 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 -0.302 118.7 38.5 -78.7 54.9 138.9 17.4 34.8 22 26 A A T 34 S+ 0 0 75 -2,-2.6 -1,-0.3 -3,-0.5 -2,-0.2 0.191 90.5 100.1-172.6 -26.1 137.8 13.9 35.7 23 27 A D << - 0 0 30 -3,-1.1 -1,-0.2 -4,-0.8 -3,-0.0 -0.329 50.1-163.9 -71.0 164.4 138.2 11.9 32.5 24 28 A E + 0 0 179 -3,-0.1 -1,-0.1 -2,-0.0 -4,-0.0 0.642 41.4 125.3-122.5 -28.4 141.4 9.7 32.2 25 29 A R > - 0 0 62 1,-0.1 3,-1.0 2,-0.1 -2,-0.0 -0.092 59.6-135.5 -40.2 127.2 141.8 8.8 28.5 26 30 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.937 102.5 57.5 -53.8 -49.5 145.3 9.9 27.4 27 31 A G T 3 S+ 0 0 50 2,-0.0 -2,-0.1 360,-0.0 361,-0.0 0.625 78.8 153.2 -58.0 -20.0 144.1 11.4 24.1 28 32 A K < - 0 0 37 -3,-1.0 2,-0.3 1,-0.1 339,-0.2 0.294 21.8-172.9 -15.3 124.2 141.7 13.6 26.1 29 33 A I E -a 367 0A 9 337,-2.0 339,-3.5 333,-0.0 2,-0.9 -0.965 15.0-154.9-136.1 123.2 140.8 17.0 24.2 30 34 A N E +a 368 0A 28 -2,-0.3 3,-0.4 337,-0.2 339,-0.1 -0.740 28.7 153.5-105.3 97.6 138.8 20.0 25.5 31 35 A L + 0 0 2 337,-1.9 345,-2.0 -2,-0.9 339,-0.3 0.146 62.5 78.6-103.2 19.3 137.2 22.0 22.7 32 36 A G + 0 0 4 336,-0.3 -1,-0.2 337,-0.2 -16,-0.1 0.304 67.2 114.1-107.2 5.9 134.4 23.3 25.0 33 37 A I - 0 0 26 -3,-0.4 337,-0.1 335,-0.2 346,-0.1 -0.106 58.4-146.8 -68.3 170.4 136.4 26.0 26.7 34 38 A G S S+ 0 0 29 2,-0.1 2,-0.2 342,-0.1 -1,-0.1 0.429 72.0 77.5-119.1 -6.6 135.8 29.7 26.3 35 39 A V S S- 0 0 43 1,-0.1 2,-0.1 341,-0.0 -2,-0.1 -0.612 82.9-102.1-101.4 165.4 139.3 31.0 26.5 36 40 A Y - 0 0 17 -2,-0.2 2,-0.3 210,-0.1 343,-0.1 -0.459 30.8-164.8 -83.5 153.4 142.2 31.0 23.9 37 41 A K - 0 0 53 341,-0.4 6,-0.2 -2,-0.1 343,-0.1 -0.995 12.8-133.5-140.1 139.0 145.1 28.6 24.0 38 42 A D > - 0 0 29 4,-2.6 3,-2.6 -2,-0.3 4,-0.1 -0.251 47.4 -77.4 -83.5-179.7 148.5 28.7 22.2 39 43 A E T 3 S+ 0 0 90 1,-0.3 344,-0.3 2,-0.1 -1,-0.1 0.636 131.2 54.2 -53.9 -16.8 150.1 25.9 20.2 40 44 A T T 3 S- 0 0 90 2,-0.2 -1,-0.3 341,-0.1 3,-0.1 0.389 119.2-104.2 -98.1 0.8 151.2 24.3 23.5 41 45 A G S < S+ 0 0 35 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.629 79.9 119.1 89.6 16.6 147.8 24.2 25.2 42 46 A K - 0 0 137 -4,-0.1 -4,-2.6 0, 0.0 -1,-0.3 -0.807 62.5-137.0-119.8 157.9 148.2 27.1 27.6 43 47 A T - 0 0 54 -2,-0.3 -6,-0.1 -6,-0.2 -7,-0.0 -0.764 39.4-168.6-113.3 81.8 146.5 30.4 28.2 44 48 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.109 26.0-107.8 -68.2 158.8 149.6 32.6 28.7 45 49 A V - 0 0 70 1,-0.1 204,-0.1 205,-0.0 205,-0.1 -0.780 45.6-107.4 -89.7 131.4 149.7 36.1 30.1 46 50 A L > - 0 0 11 202,-0.5 4,-1.6 -2,-0.5 5,-0.1 -0.200 16.6-128.6 -58.9 151.3 150.6 38.5 27.3 47 51 A T H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.887 109.9 55.9 -65.7 -40.2 154.1 39.9 27.4 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.864 108.2 46.1 -60.8 -42.0 152.6 43.4 27.0 49 53 A V H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 109.1 55.0 -73.9 -33.2 150.4 43.0 30.1 50 54 A K H X S+ 0 0 125 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.932 110.8 47.5 -61.5 -40.7 153.3 41.6 32.1 51 55 A K H >X S+ 0 0 124 -4,-2.3 4,-1.8 1,-0.2 3,-0.5 0.898 111.0 49.5 -66.9 -40.8 155.2 44.8 31.2 52 56 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.886 108.6 55.1 -67.3 -30.4 152.4 47.0 32.1 53 57 A E H 3X S+ 0 0 47 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.695 104.8 50.8 -75.8 -21.5 152.0 45.2 35.4 54 58 A Q H -B 70 0B 39 3,-0.8 3,-0.8 1,-0.1 -1,-0.2 -0.298 46.7 -99.1 -75.4 178.4 135.5 57.1 40.4 68 73 A I T 3 S+ 0 0 46 1,-0.2 3,-0.1 217,-0.1 -1,-0.1 0.825 127.5 49.5 -71.1 -29.0 132.3 55.2 39.8 69 74 A D T 3 S- 0 0 34 1,-0.3 30,-3.1 29,-0.1 2,-0.3 0.484 109.3-136.2 -85.6 -4.2 133.0 55.3 36.1 70 75 A G B < +B 67 0B 6 -3,-0.8 -3,-0.8 28,-0.2 -1,-0.3 -0.636 55.2 1.1 93.2-147.5 136.5 54.1 36.5 71 76 A I > - 0 0 22 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.761 55.5-148.4 -86.6 118.0 139.7 55.3 34.9 72 77 A P H > S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.911 98.4 52.7 -49.8 -51.4 139.2 58.3 32.5 73 78 A E H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.924 108.6 50.7 -46.3 -58.4 142.1 57.2 30.2 74 79 A F H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 109.2 51.6 -47.5 -49.2 140.6 53.8 30.0 75 80 A G H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.916 111.6 46.7 -57.1 -47.5 137.3 55.3 29.0 76 81 A R H X S+ 0 0 136 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.890 110.7 49.6 -62.0 -49.0 138.8 57.4 26.3 77 82 A C H X S+ 0 0 19 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.879 111.0 52.6 -59.1 -39.4 140.9 54.7 24.7 78 83 A T H X S+ 0 0 1 -4,-2.1 4,-3.2 -5,-0.3 5,-0.3 0.971 108.5 48.2 -60.5 -53.4 137.8 52.5 24.6 79 84 A Q H X>S+ 0 0 17 -4,-2.2 4,-3.0 1,-0.3 5,-0.8 0.947 115.6 45.5 -53.7 -47.3 135.8 55.2 22.9 80 85 A E H X5S+ 0 0 98 -4,-2.9 4,-0.8 1,-0.2 -1,-0.3 0.856 111.7 51.8 -65.5 -34.0 138.6 55.6 20.4 81 86 A L H <5S+ 0 0 14 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.980 119.6 35.9 -66.3 -45.2 139.0 51.9 20.0 82 87 A L H <5S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.1 -3,-0.2 0.866 133.1 20.1 -72.2 -49.8 135.3 51.5 19.3 83 88 A F H <5S- 0 0 8 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.1 0.647 108.9-112.8 -98.9 -24.1 134.3 54.6 17.3 84 89 A G ><< - 0 0 5 -4,-0.8 3,-1.1 -5,-0.8 6,-0.2 0.017 29.7 -70.7 103.0 150.6 137.6 55.7 16.0 85 90 A K T 3 S+ 0 0 153 1,-0.3 2,-1.4 -5,-0.2 -1,-0.1 0.888 123.6 29.9 -39.0 -79.5 140.0 58.6 16.4 86 91 A G T 3 S+ 0 0 66 4,-0.1 -1,-0.3 -6,-0.1 2,-0.2 -0.289 88.0 164.0 -86.7 55.4 138.4 61.6 14.7 87 92 A S <> - 0 0 14 -2,-1.4 4,-2.4 -3,-1.1 5,-0.2 -0.493 43.6-142.0 -77.6 140.3 134.9 60.4 15.5 88 93 A A H > S+ 0 0 62 1,-0.2 4,-3.1 -2,-0.2 6,-0.2 0.967 105.1 56.7 -61.3 -46.2 132.1 62.8 15.3 89 94 A L H 4>S+ 0 0 10 1,-0.2 5,-2.2 2,-0.2 6,-0.4 0.795 110.6 41.2 -53.2 -39.5 130.7 61.1 18.4 90 95 A I H >45S+ 0 0 34 -6,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.882 115.6 49.7 -78.4 -39.9 133.8 61.7 20.5 91 96 A N H 3<5S+ 0 0 111 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.912 108.9 52.2 -67.4 -38.1 134.3 65.2 19.3 92 97 A D T 3<5S- 0 0 97 -4,-3.1 173,-0.5 -5,-0.2 -1,-0.3 0.423 111.1-121.6 -77.0 0.6 130.7 66.1 20.0 93 98 A K T < 5 + 0 0 121 -3,-1.1 -3,-0.2 -5,-0.2 175,-0.1 0.831 68.5 140.3 59.9 35.5 131.0 64.8 23.5 94 99 A R < + 0 0 34 -5,-2.2 168,-1.6 -6,-0.2 2,-0.4 0.357 47.9 67.0 -89.2 0.6 128.2 62.4 22.8 95 100 A A E -C 261 0C 7 -6,-0.4 2,-0.4 166,-0.2 166,-0.2 -0.984 51.5-174.9-131.3 138.1 129.6 59.4 24.6 96 101 A R E -C 260 0C 71 164,-2.1 164,-2.9 -2,-0.4 2,-0.4 -0.977 15.5-158.4-125.1 138.6 130.2 58.6 28.2 97 102 A T E -C 259 0C 4 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.964 6.2-156.9-126.7 138.2 131.9 55.3 29.2 98 103 A A E -C 258 0C 0 160,-2.3 160,-2.5 -2,-0.4 2,-0.4 -0.947 20.3-129.6-116.2 128.4 132.0 53.4 32.4 99 104 A Q E -C 257 0C 1 -30,-3.1 158,-0.3 -2,-0.5 156,-0.0 -0.662 39.6-175.6 -69.3 140.7 134.7 51.0 33.3 100 105 A T E -C 256 0C 0 156,-3.5 2,-2.1 -2,-0.4 156,-1.0 -0.879 37.2 -95.3-140.7 157.0 132.9 47.8 34.3 101 106 A P S > S- 0 0 31 0, 0.0 4,-0.8 0, 0.0 154,-0.3 -0.447 91.3 -40.6 -78.9 79.0 133.8 44.3 35.7 102 107 A G H > S- 0 0 0 -2,-2.1 4,-1.6 152,-0.3 154,-0.3 -0.028 78.3 -73.7 91.9 161.6 134.0 42.4 32.5 103 108 A G H > S+ 0 0 7 152,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.857 135.5 57.7 -60.9 -29.5 131.9 42.5 29.4 104 109 A T H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 102.0 51.4 -67.7 -40.7 129.4 40.7 31.5 105 110 A G H X S+ 0 0 13 -4,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.838 108.4 53.8 -64.1 -30.3 129.3 43.4 34.1 106 111 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.837 106.9 50.9 -67.0 -43.6 128.7 45.9 31.3 107 112 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.958 112.3 45.7 -59.9 -54.3 125.7 44.0 30.0 108 113 A R H X S+ 0 0 81 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.888 111.5 52.8 -57.7 -41.7 124.1 43.8 33.5 109 114 A V H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.874 111.2 45.4 -63.7 -38.7 124.8 47.5 34.1 110 115 A A H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.915 114.0 54.1 -67.7 -40.2 123.1 48.4 30.7 111 116 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.849 110.7 41.0 -60.9 -47.9 120.4 46.1 31.8 112 117 A D H X S+ 0 0 35 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.793 117.3 49.9 -73.7 -29.0 119.7 47.6 35.2 113 118 A F H X S+ 0 0 12 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.909 116.1 40.3 -72.1 -49.2 120.0 51.0 33.8 114 119 A L H X S+ 0 0 4 -4,-3.2 4,-1.3 2,-0.2 6,-0.5 0.943 113.0 57.5 -63.3 -47.2 117.6 50.3 30.9 115 120 A A H < S+ 0 0 32 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.893 118.2 28.9 -52.8 -44.1 115.3 48.3 33.2 116 121 A K H < S+ 0 0 108 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.641 124.1 39.3 -97.3 -15.2 114.8 51.2 35.7 117 122 A N H < S+ 0 0 64 -4,-1.7 2,-0.3 -3,-0.2 -2,-0.1 0.367 110.2 45.6-117.4 4.7 115.1 54.5 33.6 118 123 A T S < S- 0 0 62 -4,-1.3 2,-0.2 2,-0.1 0, 0.0 -0.870 83.4-107.7-138.1 174.2 113.4 53.7 30.4 119 124 A S + 0 0 107 -2,-0.3 2,-0.4 -3,-0.0 -4,-0.1 -0.196 67.2 139.2 -96.9 39.7 110.2 52.1 29.1 120 125 A V + 0 0 12 -6,-0.5 -2,-0.1 -2,-0.2 53,-0.1 -0.750 15.5 158.7 -90.2 134.9 112.1 49.1 27.8 121 126 A K + 0 0 142 -2,-0.4 22,-2.5 51,-0.3 2,-0.3 0.536 58.6 48.6-125.1 -22.3 110.4 45.7 28.3 122 129 A R E -d 143 0C 85 50,-0.3 52,-2.0 20,-0.2 2,-0.4 -0.931 49.1-171.2-130.9 152.5 112.1 43.6 25.7 123 133 A V E -de 144 174C 1 20,-2.6 22,-3.1 -2,-0.3 2,-0.5 -0.999 15.5-149.2-136.2 130.9 115.4 42.6 24.3 124 134 A W E -de 145 175C 19 50,-2.4 52,-2.5 -2,-0.4 2,-0.4 -0.890 15.1-173.1-103.0 127.5 116.0 40.6 21.2 125 135 A V E -de 146 176C 6 20,-2.4 22,-1.0 -2,-0.5 52,-0.1 -0.956 35.5 -93.1-120.8 143.7 119.1 38.4 21.1 126 136 A S E -d 147 0C 0 50,-0.6 22,-0.2 -2,-0.4 -1,-0.1 0.081 45.5-103.5 -45.4 161.9 120.2 36.5 18.0 127 137 A N S S+ 0 0 78 20,-0.5 21,-0.1 19,-0.1 20,-0.0 0.924 111.3 29.8 -61.9 -94.4 119.0 32.9 17.9 128 138 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 57,-0.2 -0.496 94.0 150.9 -64.9 133.3 121.9 30.9 18.8 129 139 A S - 0 0 19 54,-0.1 -4,-0.0 55,-0.1 -2,-0.0 -0.944 58.8 -60.8-149.0 174.7 123.7 33.3 21.1 130 140 A W > - 0 0 47 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 -0.516 53.2-137.1 -60.8 116.7 125.9 33.4 24.1 131 141 A P T >> S+ 0 0 75 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.829 97.4 64.0 -47.4 -36.1 123.6 31.6 26.6 132 142 A N H 3> S+ 0 0 53 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.606 82.7 80.0 -70.0 -8.6 124.4 34.0 29.4 133 143 A H H <> S+ 0 0 1 -3,-2.2 4,-1.6 2,-0.2 3,-0.4 0.929 92.3 48.4 -61.0 -49.7 122.8 36.9 27.6 134 144 A K H <> S+ 0 0 103 -3,-0.9 4,-3.2 -4,-0.4 3,-0.4 0.948 109.4 51.5 -56.3 -53.6 119.3 35.8 28.5 135 145 A S H X S+ 0 0 64 -4,-0.7 4,-1.4 1,-0.3 -1,-0.2 0.701 107.9 52.3 -57.7 -30.7 120.1 35.4 32.2 136 146 A V H < S+ 0 0 9 -4,-1.2 4,-0.3 -3,-0.4 -1,-0.3 0.855 114.5 43.0 -73.4 -39.9 121.6 38.8 32.5 137 147 A F H >X>S+ 0 0 2 -4,-1.6 5,-1.3 -3,-0.4 3,-1.2 0.906 112.3 51.1 -73.6 -44.6 118.5 40.3 30.9 138 148 A N H ><5S+ 0 0 74 -4,-3.2 3,-1.9 1,-0.3 -3,-0.2 0.936 104.4 58.0 -59.4 -46.3 116.0 38.3 32.9 139 149 A S T 3<5S+ 0 0 65 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.666 103.1 54.3 -58.8 -16.9 117.6 39.2 36.2 140 150 A A T <45S- 0 0 21 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.647 123.9-106.6 -87.7 -19.3 117.1 42.9 35.4 141 151 A G T <<5S+ 0 0 59 -3,-1.9 -3,-0.2 -4,-0.7 -2,-0.1 0.199 78.5 129.7 111.9 -10.4 113.4 42.2 34.9 142 152 A L < - 0 0 6 -5,-1.3 2,-0.4 -31,-0.1 -1,-0.4 -0.306 56.1-121.1 -77.3 154.9 113.5 42.5 31.0 143 154 A E E -d 122 0C 78 -22,-2.5 -20,-2.6 -3,-0.1 2,-0.5 -0.798 19.4-145.3-101.9 139.7 112.1 40.0 28.6 144 155 A V E -d 123 0C 10 -2,-0.4 2,-0.2 -22,-0.2 -20,-0.2 -0.890 17.0-178.8-106.6 131.1 114.2 38.3 26.1 145 156 A R E -d 124 0C 106 -22,-3.1 -20,-2.4 -2,-0.5 2,-0.4 -0.726 21.0-124.9-117.5 171.1 113.0 37.4 22.6 146 157 A E E -d 125 0C 117 -2,-0.2 2,-0.2 -22,-0.2 -20,-0.2 -0.979 13.5-162.6-129.2 126.3 114.8 35.7 19.8 147 158 A Y E -d 126 0C 2 -22,-1.0 -20,-0.5 -2,-0.4 15,-0.1 -0.669 35.5-100.4 -98.3 152.4 115.4 36.8 16.2 148 159 A A + 0 0 32 13,-0.5 17,-0.1 14,-0.4 3,-0.1 -0.469 54.3 145.3 -72.9 150.5 116.4 34.2 13.5 149 160 A Y + 0 0 13 1,-0.2 9,-3.2 -2,-0.1 2,-0.4 0.440 41.4 68.0-144.4 -64.8 120.0 34.1 12.5 150 161 A Y E -I 157 0D 43 7,-0.2 2,-1.3 11,-0.1 -1,-0.2 -0.602 60.4-140.3 -85.6 125.0 121.7 30.8 11.5 151 162 A D E >> -I 156 0D 34 5,-2.6 4,-2.8 -2,-0.4 5,-0.6 -0.582 13.2-164.4 -80.1 95.8 120.9 28.7 8.4 152 163 A A T 45S+ 0 0 75 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.0 0.856 88.3 42.2 -47.7 -40.2 121.0 25.2 9.8 153 164 A E T 45S+ 0 0 169 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.920 124.3 30.5 -74.8 -52.9 121.3 23.8 6.2 154 165 A N T 45S- 0 0 112 2,-0.1 -2,-0.2 186,-0.0 -1,-0.2 0.519 94.4-129.2 -88.3 -8.3 123.7 26.2 4.6 155 166 A H T <5S+ 0 0 58 -4,-2.8 2,-0.2 1,-0.2 -3,-0.2 0.940 73.4 114.7 59.0 45.8 125.8 27.1 7.7 156 167 A T E - 0 0 55 -9,-3.2 4,-1.6 -2,-0.5 5,-0.2 -0.758 21.8-176.1 -83.7 95.4 119.9 33.8 6.8 159 170 A F H > S+ 0 0 41 -2,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.954 77.5 43.1 -61.8 -45.9 119.6 37.5 6.1 160 171 A D H > S+ 0 0 112 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.985 112.0 50.0 -60.4 -65.0 115.9 37.4 5.2 161 172 A A H > S+ 0 0 29 1,-0.2 4,-1.2 2,-0.2 -13,-0.5 0.789 110.8 54.5 -46.1 -31.4 114.7 35.1 8.0 162 173 A L H >X S+ 0 0 1 -4,-1.6 3,-1.0 2,-0.2 4,-0.8 0.988 112.7 39.9 -66.2 -60.4 116.5 37.4 10.3 163 174 A I H >< S+ 0 0 36 -4,-2.2 3,-1.1 1,-0.3 4,-0.5 0.879 110.8 59.7 -56.2 -40.6 114.8 40.5 9.1 164 175 A N H >< S+ 0 0 116 -4,-3.5 3,-0.5 1,-0.3 -1,-0.3 0.825 106.9 47.1 -60.2 -28.8 111.5 38.6 8.9 165 176 A S H << S+ 0 0 27 -4,-1.2 3,-0.3 -3,-1.0 -1,-0.3 0.615 104.7 62.2 -87.9 -10.4 111.8 38.0 12.6 166 177 A L T << S+ 0 0 0 -3,-1.1 3,-0.5 -4,-0.8 -1,-0.2 0.423 83.2 74.2 -97.4 5.3 112.6 41.6 13.3 167 178 A N S < S+ 0 0 96 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.1 0.741 88.4 63.1 -84.5 -20.4 109.4 43.1 12.1 168 179 A E S S+ 0 0 164 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.2 0.394 84.2 98.6 -79.8 0.8 107.6 41.8 15.2 169 180 A A - 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