==== 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 22-SEP-00 1GD9 . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.URA,K.HARATA,I.MATSUI,S.KURAMITSU . 776 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 43 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.0 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 0 0 0 6 2 0 2 5 3 2 0 2 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 . 4 4 0 4 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 . 6 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 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 2 A A >> 0 0 22 0, 0.0 4,-1.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 162.6 25.2 -8.1 44.0 2 3 A L H 3> + 0 0 7 517,-1.2 4,-2.8 516,-0.3 5,-0.2 0.829 360.0 61.6 -57.0 -32.6 26.1 -6.4 40.7 3 4 A S H 3> S+ 0 0 0 493,-0.7 4,-2.0 516,-0.6 -1,-0.2 0.930 105.3 46.7 -60.0 -44.3 29.5 -5.5 42.1 4 5 A D H <> S+ 0 0 58 -3,-0.6 4,-0.9 492,-0.3 -1,-0.2 0.860 112.5 49.7 -64.1 -39.0 30.2 -9.3 42.4 5 6 A R H X S+ 0 0 62 -4,-1.7 4,-1.0 1,-0.2 3,-0.4 0.883 108.8 53.1 -67.4 -37.9 29.0 -9.9 38.9 6 7 A L H >< S+ 0 0 4 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.893 104.3 54.5 -64.7 -40.5 31.1 -7.1 37.6 7 8 A E H 3< S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 104.9 56.7 -65.0 -24.9 34.2 -8.6 39.2 8 9 A L H 3< S+ 0 0 105 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.2 0.760 87.9 86.6 -75.2 -30.1 33.4 -11.8 37.4 9 10 A V S << S- 0 0 3 -4,-1.0 2,-0.1 -3,-0.7 3,-0.1 -0.623 82.0-132.4 -72.6 123.2 33.4 -10.1 34.0 10 11 A S - 0 0 101 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.1 -0.404 26.0 -88.1 -80.4 157.7 37.0 -10.1 32.7 11 12 A A - 0 0 63 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.284 52.3 -99.7 -60.1 144.6 38.9 -7.1 31.3 12 13 A S > - 0 0 24 1,-0.1 4,-1.8 -3,-0.1 -1,-0.1 -0.491 18.1-155.9 -76.0 136.1 38.5 -6.5 27.6 13 14 A E H > S+ 0 0 54 2,-0.2 4,-1.9 -2,-0.2 -1,-0.1 0.778 100.0 55.5 -73.4 -35.4 41.2 -7.6 25.2 14 15 A I H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 107.0 52.3 -65.0 -36.4 40.1 -5.0 22.7 15 16 A R H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.952 108.3 49.2 -62.1 -50.8 40.6 -2.5 25.5 16 17 A K H X S+ 0 0 111 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.841 109.0 54.4 -59.9 -31.5 44.2 -3.8 26.0 17 18 A L H X S+ 0 0 22 -4,-1.9 4,-0.7 2,-0.2 3,-0.4 0.877 105.0 53.1 -72.3 -35.1 44.8 -3.6 22.3 18 19 A F H >X S+ 0 0 146 -4,-1.9 3,-1.3 -3,-0.3 4,-1.1 0.949 107.0 49.1 -63.5 -53.4 43.8 0.1 22.1 19 20 A D H 3X S+ 0 0 101 -4,-1.8 4,-0.5 1,-0.3 -1,-0.2 0.668 112.1 51.6 -60.7 -16.6 46.1 1.3 24.9 20 21 A I H 3< S+ 0 0 96 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.582 107.2 50.5 -97.2 -12.6 48.9 -0.6 23.1 21 22 A A H X< S+ 0 0 27 -3,-1.3 3,-0.8 -4,-0.7 -2,-0.2 0.563 98.6 75.1 -94.7 -15.3 48.2 1.1 19.8 22 23 A A H 3< S+ 0 0 57 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.904 90.6 48.6 -62.7 -47.3 48.3 4.4 21.6 23 24 A G T 3< S+ 0 0 82 -4,-0.5 2,-0.4 2,-0.0 -1,-0.2 0.394 105.0 77.4 -81.2 11.9 52.1 4.7 22.1 24 25 A M < - 0 0 33 -3,-0.8 2,-0.4 3,-0.0 3,-0.1 -0.910 56.8-171.6-123.9 142.7 52.6 3.9 18.5 25 26 A K S S+ 0 0 181 -2,-0.4 3,-0.1 1,-0.1 -3,-0.1 -0.883 72.5 53.4-146.2 105.2 52.2 6.1 15.4 26 27 A D S S+ 0 0 121 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 -0.030 80.3 135.6 154.7 0.1 52.4 4.7 11.9 27 28 A V - 0 0 36 -6,-0.2 2,-0.6 317,-0.1 317,-0.2 -0.475 45.8-153.6 -77.1 133.4 49.7 2.1 12.9 28 29 A I E -a 344 0A 21 315,-2.4 317,-2.0 -2,-0.2 2,-0.5 -0.948 21.3-138.6-105.0 117.1 46.8 1.3 10.6 29 30 A S E +a 345 0A 41 -2,-0.6 3,-0.1 315,-0.2 317,-0.1 -0.691 35.0 165.6 -86.9 126.8 43.9 0.1 12.6 30 31 A L + 0 0 0 315,-2.6 333,-2.2 -2,-0.5 317,-0.3 0.066 68.1 82.0-116.6 16.1 41.8 -2.9 11.5 31 32 A G + 0 0 12 315,-0.2 2,-0.5 331,-0.2 -1,-0.1 0.351 57.4 127.3-105.0 9.3 40.3 -3.2 14.9 32 33 A I - 0 0 59 331,-0.2 2,-0.5 -3,-0.1 333,-0.3 -0.512 41.5-165.1 -73.0 115.6 37.6 -0.5 14.5 33 34 A G + 0 0 22 -2,-0.5 -1,-0.1 330,-0.1 286,-0.0 -0.255 62.4 61.1 -98.3 50.3 34.1 -1.8 15.3 34 35 A E S S- 0 0 32 -2,-0.5 198,-0.1 331,-0.2 331,-0.1 -0.978 93.0 -75.0-164.5 158.0 32.1 1.1 13.8 35 36 A P - 0 0 2 0, 0.0 202,-0.1 0, 0.0 330,-0.1 -0.230 25.4-151.0 -59.0 143.6 31.4 2.8 10.4 36 37 A D S S+ 0 0 58 2,-0.1 331,-0.1 -4,-0.1 410,-0.0 0.663 73.1 93.5 -88.2 -14.9 34.2 5.0 9.1 37 38 A F S S- 0 0 49 1,-0.1 2,-0.2 329,-0.0 197,-0.0 -0.292 78.1-121.0 -74.6 153.1 31.5 7.1 7.3 38 39 A D - 0 0 56 1,-0.1 -1,-0.1 198,-0.1 3,-0.1 -0.525 43.0 -79.9 -91.0 165.0 29.9 10.1 8.8 39 40 A T - 0 0 5 -2,-0.2 196,-0.1 1,-0.1 -1,-0.1 -0.392 59.5 -92.5 -61.7 136.2 26.2 10.3 9.4 40 41 A P >> - 0 0 19 0, 0.0 4,-1.5 0, 0.0 3,-1.4 -0.283 35.7-123.0 -50.9 134.3 24.3 11.3 6.2 41 42 A Q H 3> S+ 0 0 97 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.844 108.5 59.3 -51.8 -40.3 23.9 15.0 6.0 42 43 A H H 3> S+ 0 0 14 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.808 104.0 51.9 -62.3 -27.7 20.1 14.9 5.8 43 44 A I H <> S+ 0 0 0 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.903 108.8 50.4 -73.9 -38.9 20.0 13.1 9.2 44 45 A K H X S+ 0 0 11 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.916 109.0 52.7 -62.4 -41.0 22.1 15.8 10.7 45 46 A E H X S+ 0 0 86 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.815 105.9 52.6 -64.8 -35.1 19.8 18.4 9.3 46 47 A Y H X S+ 0 0 46 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.844 108.4 51.7 -68.4 -34.5 16.7 16.7 10.9 47 48 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.920 110.0 48.2 -66.5 -43.7 18.6 16.8 14.2 48 49 A K H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.912 110.5 52.0 -61.4 -43.1 19.2 20.5 13.8 49 50 A E H X S+ 0 0 76 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.869 107.5 52.2 -61.7 -38.9 15.5 21.0 12.9 50 51 A A H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 -1,-0.2 0.875 108.0 51.3 -66.0 -37.9 14.5 19.1 16.1 51 52 A L H ><5S+ 0 0 1 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.938 109.1 51.0 -63.7 -43.0 16.7 21.4 18.1 52 53 A D H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.775 106.9 54.6 -63.7 -29.2 15.0 24.4 16.5 53 54 A K T 3<5S- 0 0 130 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.435 117.6-116.3 -83.2 -3.5 11.7 22.9 17.4 54 55 A G T < 5 + 0 0 9 -3,-1.7 2,-1.9 -4,-0.2 3,-0.3 0.815 56.1 159.2 73.5 31.7 12.8 22.7 21.0 55 56 A L < + 0 0 47 -5,-2.3 213,-0.6 1,-0.2 -1,-0.2 -0.519 36.2 113.8 -86.2 71.3 12.8 18.9 21.4 56 57 A T + 0 0 0 -2,-1.9 571,-2.9 211,-0.2 572,-0.4 0.180 48.4 91.4-126.1 9.5 15.1 19.1 24.4 57 58 A H S S- 0 0 51 -3,-0.3 210,-0.2 569,-0.2 368,-0.1 -0.523 88.7 -69.1-103.1 171.7 12.9 17.9 27.2 58 59 A Y - 0 0 69 -2,-0.2 -1,-0.2 208,-0.1 569,-0.1 -0.265 48.2-161.5 -59.9 147.6 12.4 14.4 28.7 59 60 A G - 0 0 16 206,-0.3 5,-0.1 1,-0.2 208,-0.0 -0.680 39.3 -62.1-119.3 175.9 10.6 12.0 26.5 60 61 A P > - 0 0 61 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 -0.201 43.1-120.5 -58.5 153.4 8.9 8.7 27.5 61 62 A N T 3 S+ 0 0 30 1,-0.2 3,-0.1 203,-0.1 201,-0.1 0.831 118.2 52.8 -62.0 -30.9 11.1 6.0 29.0 62 63 A I T 3 S- 0 0 26 1,-0.3 29,-2.7 28,-0.1 -1,-0.2 0.638 122.1-106.7 -79.8 -12.4 9.9 3.8 26.1 63 64 A G < - 0 0 0 -3,-0.9 -1,-0.3 27,-0.2 2,-0.2 -0.406 53.2 -35.5 108.4 170.0 11.0 6.4 23.6 64 65 A L > - 0 0 16 -2,-0.1 4,-2.5 1,-0.1 3,-0.5 -0.461 48.5-137.8 -65.5 131.9 9.2 8.9 21.3 65 66 A L H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 103.7 57.3 -56.0 -44.0 5.9 7.6 20.0 66 67 A E H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.863 110.3 43.3 -56.2 -40.1 6.7 9.0 16.5 67 68 A L H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.917 112.5 52.0 -72.5 -44.4 10.0 7.1 16.4 68 69 A R H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.876 111.0 48.8 -59.5 -36.5 8.4 3.9 17.7 69 70 A E H X S+ 0 0 101 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.871 111.0 49.6 -69.9 -37.6 5.7 4.2 15.0 70 71 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.843 111.1 50.3 -68.1 -34.8 8.4 4.7 12.4 71 72 A I H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.907 105.9 55.8 -70.0 -40.5 10.2 1.6 13.8 72 73 A A H X S+ 0 0 17 -4,-2.3 4,-2.2 1,-0.2 11,-0.2 0.912 108.4 47.8 -58.7 -43.1 7.0 -0.4 13.6 73 74 A E H X S+ 0 0 88 -4,-1.8 4,-2.3 1,-0.2 5,-0.3 0.898 114.2 47.0 -65.4 -38.9 6.7 0.4 9.8 74 75 A K H X>S+ 0 0 11 -4,-1.7 4,-2.5 2,-0.2 5,-0.8 0.913 111.7 49.9 -68.3 -43.4 10.3 -0.5 9.3 75 76 A L H X5S+ 0 0 0 -4,-3.2 6,-2.6 3,-0.2 4,-1.0 0.887 114.8 44.8 -62.6 -41.5 10.1 -3.8 11.2 76 77 A K H X5S+ 0 0 105 -4,-2.2 4,-1.3 4,-0.3 -2,-0.2 0.969 120.8 35.9 -68.3 -54.8 7.0 -4.8 9.3 77 78 A K H <5S+ 0 0 183 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.914 130.1 29.0 -68.4 -47.9 8.1 -3.9 5.8 78 79 A Q H <5S+ 0 0 62 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.835 137.0 22.9 -83.7 -34.3 11.8 -4.8 6.0 79 80 A N H <> - 0 0 46 -2,-0.4 4,-3.2 1,-0.2 3,-0.7 -0.699 16.9-153.5 -79.6 115.3 2.7 -2.5 18.4 85 86 A P T 34 S+ 0 0 18 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.780 91.2 59.6 -61.2 -25.7 4.7 0.8 18.8 86 87 A K T 34 S+ 0 0 130 1,-0.1 -24,-0.1 2,-0.1 -17,-0.0 0.839 129.0 2.2 -72.1 -32.9 2.7 1.6 21.9 87 88 A T T <4 S+ 0 0 58 -3,-0.7 164,-0.2 3,-0.0 165,-0.2 0.579 129.1 49.1-131.6 -17.3 3.7 -1.4 23.9 88 89 A E S < S+ 0 0 46 -4,-3.2 158,-2.2 163,-0.1 2,-0.4 0.349 95.1 70.3-113.2 6.4 6.1 -3.7 22.1 89 90 A I E -B 245 0B 0 -5,-0.5 2,-0.4 -4,-0.3 156,-0.2 -0.990 54.8-176.9-129.2 130.8 8.8 -1.3 20.8 90 91 A M E -B 244 0B 0 154,-2.2 154,-2.2 -2,-0.4 2,-0.3 -0.996 17.3-142.5-129.5 132.7 11.3 0.4 23.0 91 92 A V E -B 243 0B 0 -29,-2.7 152,-0.3 -2,-0.4 2,-0.3 -0.734 26.2-170.4 -92.5 141.8 14.0 3.0 22.0 92 93 A L E -B 242 0B 0 150,-2.8 150,-2.2 -2,-0.3 2,-2.0 -0.821 38.9 -98.5-130.3 168.2 17.4 2.7 23.8 93 94 A L S S- 0 0 0 -2,-0.3 148,-0.3 148,-0.2 4,-0.2 -0.570 103.8 -31.0 -84.7 73.7 20.7 4.5 24.3 94 95 A G S > S- 0 0 0 -2,-2.0 3,-1.0 146,-0.3 148,-0.4 0.136 76.3 -92.2 89.3 150.2 22.3 2.3 21.7 95 96 A A T > S+ 0 0 11 146,-0.2 3,-1.7 1,-0.2 4,-0.4 0.739 115.9 80.1 -66.8 -22.0 21.4 -1.3 20.9 96 97 A N T >> S+ 0 0 14 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.822 82.8 62.7 -54.7 -33.7 24.1 -2.3 23.5 97 98 A Q H <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.2 5,-0.3 0.752 87.0 74.8 -63.2 -27.7 21.7 -1.6 26.3 98 99 A A H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.3 5,-0.3 0.770 89.7 55.7 -59.3 -30.1 19.3 -4.3 25.1 99 100 A F H <> S+ 0 0 2 -3,-1.0 4,-2.2 -4,-0.4 5,-0.3 0.988 113.2 36.2 -70.5 -56.5 21.4 -7.2 26.3 100 101 A L H X S+ 0 0 1 -4,-0.6 4,-1.9 549,-0.3 -2,-0.2 0.962 127.1 38.9 -60.3 -53.2 21.7 -6.3 30.0 101 102 A M H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.840 116.1 50.0 -69.0 -35.0 18.2 -4.9 30.2 102 103 A G H >< S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.3 4,-0.3 0.909 113.3 45.4 -69.8 -44.3 16.5 -7.5 28.0 103 104 A L H >X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 3,-1.8 0.877 106.2 61.9 -65.3 -37.0 18.0 -10.4 29.9 104 105 A S T 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.518 88.2 73.0 -68.4 -5.9 17.1 -8.7 33.2 105 106 A A T <4 S- 0 0 4 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.699 125.5 -7.2 -81.7 -15.7 13.4 -8.9 32.2 106 107 A F T <4 S+ 0 0 12 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.573 92.0 119.9-148.8 -31.8 13.4 -12.7 32.9 107 108 A L < - 0 0 0 -4,-2.9 285,-0.7 -5,-0.2 286,-0.3 -0.243 42.8-161.0 -54.4 126.9 16.8 -14.3 33.6 108 109 A K > - 0 0 70 1,-0.2 3,-1.8 284,-0.1 283,-0.1 -0.542 36.4 -57.4-106.1 171.0 17.0 -16.0 37.0 109 110 A D T 3 S- 0 0 100 1,-0.3 23,-0.2 -2,-0.2 -1,-0.2 -0.204 118.8 -5.4 -50.3 126.3 19.9 -17.1 39.2 110 111 A G T 3 S+ 0 0 23 21,-1.6 -1,-0.3 1,-0.2 22,-0.2 0.352 90.3 149.8 70.7 -6.2 22.3 -19.6 37.5 111 112 A E < - 0 0 38 -3,-1.8 22,-2.7 20,-0.2 2,-0.2 -0.338 44.0-122.4 -61.4 139.1 20.2 -19.9 34.4 112 113 A E E -cd 133 160B 29 47,-1.7 49,-3.0 20,-0.2 50,-1.5 -0.599 18.9-161.4 -89.6 145.6 22.2 -20.5 31.3 113 114 A V E -cd 134 162B 0 20,-2.4 22,-3.0 -2,-0.2 2,-0.3 -0.988 18.0-135.3-128.3 116.8 22.3 -18.5 28.2 114 115 A L E -cd 135 163B 0 48,-2.6 50,-2.3 -2,-0.5 22,-0.2 -0.592 22.4-173.6 -73.1 127.6 23.6 -20.1 25.0 115 116 A I E -c 136 0B 3 20,-3.2 22,-2.3 -2,-0.3 50,-0.1 -0.917 17.4-142.0-130.3 101.9 26.0 -17.8 23.1 116 117 A P E -c 137 0B 17 0, 0.0 20,-0.1 0, 0.0 31,-0.0 -0.418 39.5-109.9 -60.0 134.4 27.3 -18.9 19.7 117 118 A T E S+c 138 0B 2 20,-2.5 22,-1.3 2,-0.1 2,-0.2 -0.879 96.4 54.6-124.8 155.9 30.9 -17.9 19.3 118 119 A P S S+ 0 0 3 0, 0.0 54,-0.3 0, 0.0 2,-0.3 0.480 92.8 169.9 -57.1 137.5 32.9 -16.1 18.0 119 120 A A - 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0 0 4 -149,-0.5 -9,-0.3 -9,-0.4 40,-0.2 -0.589 16.7-166.5-117.4 72.8 37.8 -13.4 10.5 322 323 A P - 0 0 0 0, 0.0 38,-1.4 0, 0.0 2,-0.5 -0.177 24.6-114.3 -61.9 145.9 41.0 -14.9 9.0 323 324 A R B +J 359 0E 52 -13,-2.2 36,-0.3 36,-0.2 35,-0.0 -0.693 40.4 163.8 -81.9 126.0 42.5 -18.1 10.3 324 325 A I > > + 0 0 1 34,-2.4 3,-1.9 -2,-0.5 5,-0.6 0.437 49.0 97.1-118.4 -7.4 45.9 -17.5 11.9 325 326 A R G > 5S+ 0 0 118 33,-2.1 3,-1.4 1,-0.3 34,-0.1 0.783 76.3 62.6 -56.2 -30.8 46.2 -20.8 13.8 326 327 A D G 3 5S+ 0 0 103 1,-0.3 -1,-0.3 32,-0.2 -2,-0.1 0.653 88.0 70.2 -71.5 -15.2 48.4 -22.4 11.1 327 328 A T G < 5S- 0 0 16 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.610 112.5-119.4 -74.1 -13.0 51.1 -19.8 11.6 328 329 A G T < 5S+ 0 0 67 -3,-1.4 2,-0.2 1,-0.3 -3,-0.1 0.358 77.0 113.9 90.4 -4.4 51.7 -21.6 14.9 329 330 A L < - 0 0 43 -5,-0.6 -1,-0.3 58,-0.1 -2,-0.2 -0.571 67.5-116.1 -97.8 161.6 50.9 -18.5 17.0 330 331 A T > - 0 0 46 -2,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.414 37.9-101.6 -85.0 170.2 48.0 -17.8 19.3 331 332 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 124.7 47.5 -61.0 -36.4 45.5 -15.1 18.5 332 333 A K H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.912 110.9 48.8 -70.5 -46.5 47.2 -12.8 21.0 333 334 A K H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.853 111.6 52.2 -60.6 -38.0 50.8 -13.5 19.8 334 335 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.937 112.1 43.6 -64.2 -47.6 49.6 -12.9 16.2 335 336 A S H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.886 113.3 51.5 -65.0 -40.7 48.1 -9.5 17.1 336 337 A E H X S+ 0 0 115 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.938 112.7 47.0 -64.2 -38.5 51.1 -8.6 19.1 337 338 A L H X>S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 5,-0.7 0.905 112.0 48.5 -68.0 -47.2 53.3 -9.5 16.2 338 339 A M H X>S+ 0 0 0 -4,-2.6 6,-1.7 3,-0.2 4,-1.2 0.889 112.7 49.6 -62.5 -38.9 51.2 -7.6 13.6 339 340 A L H <5S+ 0 0 6 -4,-2.3 4,-0.4 4,-0.3 -2,-0.2 0.945 118.2 35.8 -66.9 -50.0 51.1 -4.5 15.8 340 341 A K H <5S+ 0 0 134 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.857 133.2 24.3 -75.7 -32.7 54.8 -4.2 16.5 341 342 A E H <5S+ 0 0 51 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.797 134.4 30.2-103.5 -33.9 56.2 -5.4 13.2 342 343 A A T < -K 360 0F 6 0, 0.0 3,-1.9 0, 0.0 12,-0.3 -0.366 19.5-129.2 -61.4 135.4 42.7 -11.4 18.6 349 350 A G G > S+ 0 0 0 10,-2.6 3,-2.2 1,-0.3 8,-0.3 0.754 102.0 73.8 -55.6 -28.9 39.9 -13.9 18.0 350 351 A S G > S+ 0 0 25 6,-0.4 3,-1.2 9,-0.3 -1,-0.3 0.642 81.3 72.2 -60.6 -16.8 39.9 -15.0 21.6 351 352 A A G < S+ 0 0 21 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.660 96.8 51.4 -72.9 -14.3 38.3 -11.6 22.5 352 353 A F G < S- 0 0 6 -3,-2.2 -233,-2.8 1,-0.4 -1,-0.2 0.210 128.8 -72.4-107.2 15.4 35.1 -13.0 20.9 353 354 A G X> - 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0 0 3 -149,-0.5 -9,-0.3 -9,-0.4 40,-0.2 -0.537 14.6-167.5-116.2 69.1 6.6 20.6 49.7 711 823 B P - 0 0 0 0, 0.0 38,-1.6 0, 0.0 2,-0.4 -0.112 24.3-118.8 -57.9 145.0 3.4 21.7 51.3 712 824 B R B +U 748 0K 50 -13,-2.4 36,-0.3 36,-0.2 35,-0.0 -0.730 37.2 167.5 -81.8 130.3 2.0 19.9 54.4 713 825 B I > > + 0 0 0 34,-2.8 3,-1.9 -2,-0.4 5,-0.5 0.450 49.1 96.3-121.9 -4.8 -1.5 18.5 53.7 714 826 B R G > 5S+ 0 0 114 33,-1.8 3,-1.6 1,-0.3 34,-0.1 0.768 75.1 66.2 -60.2 -26.4 -2.0 16.2 56.6 715 827 B D G 3 5S+ 0 0 97 1,-0.3 -1,-0.3 32,-0.2 -2,-0.1 0.700 89.3 66.7 -69.4 -18.5 -4.0 18.8 58.5 716 828 B T G < 5S- 0 0 18 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.606 112.2-120.1 -75.6 -12.2 -6.7 18.6 55.9 717 829 B G T < 5S+ 0 0 70 -3,-1.6 2,-0.2 1,-0.3 -3,-0.1 0.245 76.4 117.8 90.6 -10.6 -7.4 15.0 57.1 718 830 B L < - 0 0 49 -5,-0.5 -1,-0.3 58,-0.1 -2,-0.2 -0.557 65.8-119.5 -90.6 152.6 -6.5 13.6 53.6 719 831 B T > - 0 0 52 -2,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.389 35.6-103.5 -79.1 166.8 -3.7 11.2 52.8 720 832 B S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 124.2 46.6 -59.4 -39.9 -1.1 12.4 50.2 721 833 B K H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 112.1 48.3 -70.1 -43.2 -2.7 10.2 47.6 722 834 B K H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.818 110.8 52.4 -66.4 -32.5 -6.3 11.3 48.4 723 835 B F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 111.6 45.6 -69.0 -42.2 -5.2 15.0 48.3 724 836 B S H X S+ 0 0 6 -4,-2.0 4,-1.9 -5,-0.2 11,-0.2 0.868 112.2 52.3 -67.7 -35.2 -3.6 14.5 44.9 725 837 B E H X S+ 0 0 121 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 111.7 46.5 -63.5 -48.4 -6.8 12.6 43.8 726 838 B L H X>S+ 0 0 24 -4,-2.3 4,-3.1 2,-0.2 5,-0.7 0.897 111.9 48.9 -60.6 -48.4 -8.9 15.5 44.9 727 839 B M H X>S+ 0 0 0 -4,-2.4 6,-2.1 3,-0.2 5,-1.2 0.884 114.6 45.9 -62.4 -39.1 -6.8 18.3 43.4 728 840 B L H <5S+ 0 0 7 -4,-1.9 4,-0.3 4,-0.3 -2,-0.2 0.949 118.3 42.5 -69.1 -45.5 -6.7 16.5 40.0 729 841 B K H <5S+ 0 0 132 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.919 132.8 15.5 -66.4 -49.7 -10.5 15.7 40.1 730 842 B E H <5S+ 0 0 37 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.744 133.8 36.4-101.9 -30.9 -11.8 19.0 41.3 731 843 B A T < -V 749 0L 7 0, 0.0 3,-2.0 0, 0.0 12,-0.2 -0.281 19.0-131.8 -54.7 133.6 1.8 12.7 46.6 738 850 B G G > S+ 0 0 0 10,-2.4 3,-1.9 1,-0.3 8,-0.3 0.759 102.9 73.1 -58.1 -26.7 4.6 13.1 49.1 739 851 B S G > S+ 0 0 24 6,-0.4 3,-1.3 9,-0.4 -1,-0.3 0.699 80.9 71.8 -60.8 -22.1 4.4 9.3 49.7 740 852 B A G < S+ 0 0 21 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.609 99.0 48.8 -70.2 -10.7 6.0 8.8 46.3 741 853 B F G < S- 0 0 7 -3,-1.9 -233,-3.0 1,-0.5 -1,-0.3 0.280 129.0 -66.1-110.6 6.5 9.3 10.1 47.9 742 854 B G X - 0 0 8 -3,-1.3 3,-1.3 -235,-0.2 -1,-0.5 -0.581 57.4 -69.9 129.2 166.3 9.2 7.9 50.9 743 855 B K G > S+ 0 0 165 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.880 127.8 59.1 -59.3 -38.8 7.3 7.3 54.1 744 856 B A G 3 S+ 0 0 26 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.672 97.9 62.9 -65.8 -16.4 8.5 10.7 55.6 745 857 B G G X S+ 0 0 0 -3,-1.3 3,-1.5 -7,-0.2 -6,-0.4 0.658 76.6 107.7 -81.5 -19.2 6.8 12.3 52.5 746 858 B E T < S+ 0 0 67 -3,-1.7 3,-0.1 -4,-0.4 -32,-0.1 -0.417 75.6 37.4 -61.9 132.5 3.4 11.0 53.6 747 859 B G T 3 S+ 0 0 4 1,-0.5 -34,-2.8 -2,-0.1 -33,-1.8 0.431 112.4 72.3 101.9 1.7 1.4 14.0 54.8 748 860 B Y B < -U 712 0K 17 -3,-1.5 -10,-2.4 -36,-0.3 -1,-0.5 -0.848 64.4-146.2-136.9 174.8 2.8 16.3 52.2 749 861 B V E -V 737 0L 0 -38,-1.6 2,-0.5 -2,-0.3 -28,-0.0 -0.981 17.8-125.5-145.7 143.0 2.6 16.8 48.4 750 862 B R E -V 736 0L 8 -14,-3.2 -14,-2.0 -2,-0.3 2,-0.4 -0.871 23.0-175.1 -98.4 130.7 5.2 17.9 45.9 751 863 B I E -T 709 0J 0 -42,-2.6 -42,-2.7 -2,-0.5 2,-0.5 -0.972 11.6-151.8-121.2 131.5 4.6 20.9 43.7 752 864 B S E -T 708 0J 0 -333,-2.6 -331,-0.3 -2,-0.4 -44,-0.2 -0.910 7.2-163.6-105.0 132.4 7.1 21.9 41.0 753 865 B Y + 0 0 0 -46,-2.5 2,-1.6 -2,-0.5 -45,-0.1 0.084 58.9 113.1-101.2 24.1 7.3 25.5 39.9 754 866 B A + 0 0 1 -47,-0.4 2,-0.3 -333,-0.4 -331,-0.2 -0.565 63.7 83.7 -91.0 64.8 9.1 24.7 36.7 755 867 B T S S- 0 0 10 -2,-1.6 5,-0.1 -73,-0.0 -330,-0.0 -0.949 95.7 -60.0-160.3 155.1 6.1 25.9 34.8 756 868 B A > - 0 0 28 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.072 41.7-127.2 -46.3 137.3 4.8 29.3 33.6 757 869 B Y H > S+ 0 0 46 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.880 110.6 53.2 -51.0 -46.6 4.1 31.9 36.4 758 870 B E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.854 107.7 50.2 -58.7 -42.6 0.6 32.5 35.0 759 871 B K H > S+ 0 0 109 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.853 110.2 51.7 -65.5 -35.2 -0.2 28.7 35.2 760 872 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.897 108.0 51.2 -68.1 -39.9 1.1 28.7 38.8 761 873 B E H X S+ 0 0 74 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.938 113.6 44.4 -62.3 -47.5 -1.2 31.6 39.7 762 874 B E H X S+ 0 0 86 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.897 111.7 52.2 -63.5 -43.4 -4.2 29.8 38.3 763 875 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.919 109.3 50.5 -61.0 -42.2 -3.3 26.5 39.8 764 876 B M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.896 110.7 50.0 -61.1 -41.6 -3.0 28.1 43.2 765 877 B D H X S+ 0 0 84 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 112.0 46.7 -64.6 -42.6 -6.4 29.7 42.7 766 878 B R H X S+ 0 0 23 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.937 113.4 48.9 -65.3 -46.7 -8.0 26.4 41.8 767 879 B M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.930 111.8 48.5 -58.6 -49.8 -6.4 24.6 44.7 768 880 B E H X S+ 0 0 33 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.872 107.4 57.2 -59.8 -38.5 -7.5 27.3 47.2 769 881 B R H X S+ 0 0 106 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.945 111.9 39.4 -59.9 -49.5 -11.0 27.2 45.8 770 882 B V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 6,-0.3 0.857 111.0 57.8 -71.0 -32.7 -11.5 23.5 46.5 771 883 B L H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 6,-0.8 0.912 115.4 38.9 -60.5 -40.9 -9.7 23.6 49.8 772 884 B K H ><5S+ 0 0 113 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.925 115.3 51.3 -73.7 -45.4 -12.2 26.1 50.9 773 885 B E H 3<5S+ 0 0 104 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.876 113.5 45.4 -59.3 -41.6 -15.2 24.4 49.2 774 886 B R T 3<5S- 0 0 133 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.383 110.0-124.1 -83.8 2.4 -14.4 21.1 50.8 775 887 B K T < 5 + 0 0 162 -3,-1.5 -3,-0.2 -5,-0.1 -4,-0.1 0.821 67.2 139.3 58.3 32.2 -13.8 22.9 54.2 776 888 B L < 0 0 35 -5,-2.5 -4,-0.2 -6,-0.3 -1,-0.1 0.543 360.0 360.0 -80.9 -10.1 -10.3 21.4 54.3 777 889 B V 0 0 93 -6,-0.8 -5,-0.1 -5,-0.1 -80,-0.1 0.043 360.0 360.0-147.9 360.0 -9.2 24.7 55.7