==== 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 (AMINOTRANSFERASE) 22-FEB-95 1AHG . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.N.MALASHKEVICH,J.N.JANSONIUS . 794 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.3 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 . 5 0.6 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 . 47 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 0 0 3 1 4 1 3 4 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 3 2 3 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 . 0 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 5 A M 0 0 49 0, 0.0 3,-0.4 0, 0.0 517,-0.1 0.000 360.0 360.0 360.0 -50.0 -14.7 27.3 41.6 2 6 A F > + 0 0 0 1,-0.2 3,-1.3 2,-0.1 668,-0.1 0.209 360.0 107.3 -95.3 10.5 -16.5 30.0 39.6 3 7 A E T 3 S+ 0 0 134 1,-0.3 -1,-0.2 666,-0.0 666,-0.0 0.680 84.0 39.7 -62.7 -24.0 -19.9 29.7 41.3 4 8 A N T 3 S+ 0 0 121 -3,-0.4 2,-0.5 512,-0.1 -1,-0.3 0.014 80.9 135.5-115.7 24.3 -19.6 33.0 43.3 5 9 A I < - 0 0 6 -3,-1.3 2,-0.5 1,-0.1 665,-0.1 -0.641 50.7-133.6 -81.4 130.9 -18.0 35.2 40.7 6 10 A T - 0 0 99 -2,-0.5 -2,-0.1 510,-0.1 -1,-0.1 -0.688 20.0-121.0 -84.1 124.2 -19.5 38.6 40.4 7 11 A A - 0 0 52 -2,-0.5 662,-0.1 1,-0.1 663,-0.1 -0.272 32.4-124.8 -57.1 147.2 -20.1 39.7 37.0 8 12 A A - 0 0 26 661,-0.3 2,-0.5 -3,-0.0 -1,-0.1 -0.740 15.0-113.3-100.6 153.2 -18.2 42.9 36.3 9 13 A P - 0 0 115 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.747 49.4-103.3 -82.6 127.1 -19.7 46.1 35.1 10 14 A A - 0 0 73 -2,-0.5 662,-0.0 1,-0.1 6,-0.0 0.027 40.0 -79.2 -53.3 157.3 -18.4 46.7 31.5 11 15 A D > - 0 0 9 1,-0.1 4,-0.7 2,-0.0 -1,-0.1 -0.251 40.8-132.0 -53.4 136.8 -15.6 49.1 30.3 12 16 A P T 4 S+ 0 0 64 0, 0.0 359,-0.2 0, 0.0 -1,-0.1 0.804 99.3 28.2 -66.4 -30.4 -17.2 52.5 30.2 13 17 A I T >> S+ 0 0 2 2,-0.1 3,-1.4 3,-0.1 4,-0.8 0.901 127.0 37.7 -93.7 -65.5 -15.9 53.3 26.6 14 18 A L H >> S+ 0 0 12 1,-0.3 4,-1.1 2,-0.2 3,-1.0 0.866 110.9 63.5 -55.3 -38.9 -15.4 49.9 24.9 15 19 A G H 3X S+ 0 0 8 -4,-0.7 4,-1.3 1,-0.3 -1,-0.3 0.824 94.9 61.5 -55.0 -32.4 -18.6 48.7 26.5 16 20 A L H <> S+ 0 0 15 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.863 95.1 60.6 -61.4 -39.8 -20.4 51.5 24.6 17 21 A A H < S+ 0 0 38 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.958 109.8 52.5 -58.8 -53.7 -23.8 50.6 19.5 21 25 A R H 3< S+ 0 0 201 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.934 113.2 41.9 -46.3 -59.7 -23.3 47.4 17.7 22 26 A A H 3< S+ 0 0 76 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.551 91.5 101.8 -72.3 -7.7 -26.5 45.8 18.9 23 27 A D << - 0 0 34 -3,-1.1 -3,-0.0 -4,-0.9 0, 0.0 -0.503 52.4-168.6 -73.2 146.0 -28.6 49.0 18.5 24 28 A E + 0 0 175 -2,-0.1 -1,-0.1 3,-0.0 -4,-0.0 0.406 39.0 123.6-121.6 4.1 -30.7 48.8 15.3 25 29 A R > - 0 0 187 1,-0.1 3,-1.9 2,-0.1 -2,-0.1 -0.554 60.9-131.4 -74.9 124.3 -32.1 52.3 14.7 26 30 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.741 97.8 46.8 -36.4 -53.7 -31.1 53.5 11.3 27 31 A G T 3 S+ 0 0 57 2,-0.0 -2,-0.1 360,-0.0 -3,-0.0 0.347 77.0 150.9 -84.3 8.8 -29.7 56.9 12.0 28 32 A K < - 0 0 56 -3,-1.9 2,-0.3 339,-0.1 339,-0.2 -0.107 27.4-161.7 -48.4 127.7 -27.5 56.0 14.9 29 33 A I - 0 0 15 337,-0.8 2,-0.5 336,-0.2 351,-0.1 -0.796 5.3-150.3-108.9 148.0 -24.5 58.1 15.4 30 34 A N + 0 0 21 -2,-0.3 339,-0.1 349,-0.3 337,-0.1 -0.798 29.5 157.1-131.1 96.9 -21.5 57.1 17.5 31 35 A L + 0 0 1 337,-0.8 345,-0.8 -2,-0.5 339,-0.4 0.012 55.0 92.8-100.3 23.1 -19.5 59.7 19.3 32 36 A G + 0 0 0 337,-0.2 338,-0.2 343,-0.1 -18,-0.1 0.862 68.7 44.0 -79.1-103.1 -18.1 57.3 21.8 33 37 A I S S- 0 0 9 -20,-0.3 2,-1.7 1,-0.1 -1,-0.1 -0.135 87.6-106.8 -52.8 136.7 -14.7 55.5 21.3 34 38 A G + 0 0 0 -3,-0.0 2,-0.4 341,-0.0 -1,-0.1 -0.511 63.6 140.0 -74.4 81.5 -11.8 57.6 19.9 35 39 A L - 0 0 8 -2,-1.7 2,-0.3 312,-0.1 211,-0.1 -0.968 52.9-119.2-122.5 135.7 -11.5 56.4 16.4 36 40 A Y - 0 0 20 -2,-0.4 2,-0.3 8,-0.1 343,-0.1 -0.610 32.8-165.2 -75.8 133.5 -10.7 58.8 13.5 37 41 A Y - 0 0 36 341,-1.4 6,-0.2 -2,-0.3 2,-0.2 -0.815 9.0-130.9-117.0 161.5 -13.5 58.9 10.8 38 42 A D > - 0 0 36 4,-1.5 3,-3.9 -2,-0.3 4,-0.1 -0.595 37.1 -87.9-107.3 169.0 -13.5 60.3 7.2 39 43 A E T 3 S+ 0 0 117 1,-0.3 344,-0.4 -2,-0.2 -1,-0.0 0.826 132.3 44.1 -37.9 -47.7 -15.9 62.6 5.2 40 44 A T T 3 S- 0 0 120 342,-0.1 -1,-0.3 343,-0.1 341,-0.1 0.458 124.1-108.6 -81.7 -1.4 -17.9 59.6 4.2 41 45 A G S < S+ 0 0 36 -3,-3.9 2,-0.3 1,-0.2 -2,-0.2 0.911 70.8 132.9 75.2 48.5 -17.7 58.3 7.7 42 46 A K - 0 0 73 -4,-0.1 -4,-1.5 419,-0.0 -1,-0.2 -0.844 59.9-128.2-123.4 160.4 -15.4 55.3 7.5 43 47 A I - 0 0 13 -2,-0.3 419,-0.5 -6,-0.2 420,-0.3 -0.653 45.6-169.4-107.4 72.6 -12.5 54.3 9.6 44 48 A P - 0 0 46 0, 0.0 2,-0.6 0, 0.0 418,-0.2 -0.119 24.7-114.9 -62.2 158.4 -10.1 53.9 6.6 45 49 A V - 0 0 23 415,-0.2 5,-0.1 414,-0.1 204,-0.1 -0.851 41.0-110.1 -95.9 114.6 -6.7 52.3 6.5 46 50 A L > - 0 0 14 -2,-0.6 4,-2.2 202,-0.2 5,-0.1 0.027 15.7-128.9 -42.2 146.6 -4.0 54.9 5.6 47 51 A T H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.913 111.9 54.6 -67.1 -44.8 -2.3 54.6 2.2 48 52 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.798 109.4 51.1 -59.1 -29.2 1.2 54.7 3.7 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.7 3,-0.1 -2,-0.2 0.985 110.4 44.7 -70.2 -62.7 -0.0 51.8 5.9 50 54 A K H X S+ 0 0 50 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.911 113.2 54.7 -46.2 -49.6 -1.3 49.6 3.0 51 55 A K H X S+ 0 0 123 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.934 109.9 43.7 -51.6 -56.9 1.9 50.5 1.1 52 56 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.836 110.1 56.9 -62.4 -31.4 4.1 49.3 3.9 53 57 A E H >X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 3,-0.5 0.950 105.2 51.3 -61.3 -46.7 2.0 46.2 4.4 54 58 A Q H 3X S+ 0 0 89 -4,-2.5 4,-2.0 1,-0.3 5,-0.2 0.884 107.0 54.7 -51.8 -47.4 2.6 45.2 0.7 55 59 A Y H 3X S+ 0 0 124 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.3 0.829 108.2 47.2 -57.9 -39.3 6.2 45.6 1.2 56 60 A L H - 0 0 34 1,-0.1 3,-1.0 218,-0.0 -1,-0.2 -0.368 40.6-102.1 -82.3 176.6 13.3 40.2 21.1 68 73 A I T 3 S+ 0 0 22 1,-0.3 -1,-0.1 217,-0.2 -2,-0.1 0.906 127.5 42.5 -64.3 -36.6 11.7 41.0 24.4 69 74 A D T 3 S- 0 0 44 1,-0.3 30,-1.9 29,-0.1 -1,-0.3 0.353 110.9-135.7 -89.3 3.9 12.1 44.6 23.6 70 75 A G < - 0 0 6 -3,-1.0 -1,-0.3 28,-0.2 -2,-0.1 -0.255 54.5 -1.0 78.7-168.3 11.0 44.3 20.0 71 76 A I > - 0 0 25 1,-0.2 4,-1.1 -4,-0.1 3,-0.5 -0.493 56.3-147.1 -65.1 109.4 12.4 45.8 16.8 72 77 A P H >> S+ 0 0 85 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.826 98.7 56.0 -47.9 -38.6 15.4 47.9 17.5 73 78 A E H 3> S+ 0 0 85 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.950 100.7 56.1 -57.5 -53.3 14.5 50.1 14.6 74 79 A F H 3> S+ 0 0 2 -3,-0.5 4,-0.8 1,-0.2 -1,-0.3 0.745 112.9 42.7 -50.0 -32.4 11.1 50.7 16.0 75 80 A G H XX S+ 0 0 8 -4,-1.1 4,-2.8 -3,-0.5 3,-0.7 0.943 109.1 53.6 -79.4 -56.7 12.7 52.0 19.2 76 81 A R H 3X S+ 0 0 124 -4,-2.8 4,-1.4 1,-0.3 -2,-0.2 0.856 113.9 47.5 -43.3 -41.4 15.5 54.1 17.7 77 82 A C H 3X S+ 0 0 19 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.3 0.820 108.2 53.2 -71.2 -40.6 12.7 55.7 15.7 78 83 A T H X>S+ 0 0 15 -4,-2.8 4,-3.4 1,-0.2 3,-0.9 0.951 109.0 53.7 -58.9 -43.2 13.0 58.0 20.8 80 85 A E H 3X5S+ 0 0 67 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.927 110.7 44.6 -56.4 -45.9 13.7 60.3 17.8 81 86 A L H 3<5S+ 0 0 6 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.622 120.8 44.8 -72.8 -14.0 10.1 61.3 17.5 82 87 A L H <<5S+ 0 0 3 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.2 0.892 130.0 15.0 -91.9 -65.1 10.1 61.7 21.2 83 88 A F H <5S- 0 0 13 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.1 0.804 110.3-105.0 -87.0 -31.1 13.2 63.6 22.2 84 89 A G ><< - 0 0 9 -4,-1.3 3,-0.7 -5,-0.8 6,-0.2 -0.059 35.7 -76.3 110.8 144.5 14.3 64.9 18.7 85 90 A K T 3 S+ 0 0 145 1,-0.2 -1,-0.1 -5,-0.1 -4,-0.1 0.776 124.7 32.1 -35.9 -57.8 17.0 64.0 16.2 86 91 A G T 3 S+ 0 0 53 -3,-0.1 5,-0.3 -6,-0.1 -1,-0.2 0.709 84.6 146.0 -79.9 -23.1 20.1 65.5 17.9 87 92 A S <> - 0 0 34 -3,-0.7 4,-2.3 -7,-0.1 5,-0.1 0.354 53.1-132.9 -27.1 140.6 19.0 65.1 21.6 88 93 A A H > S+ 0 0 54 2,-0.2 4,-4.1 1,-0.2 5,-0.3 0.873 104.3 67.3 -60.0 -44.3 21.6 64.4 24.4 89 94 A L H 4>S+ 0 0 7 2,-0.2 5,-2.3 1,-0.2 6,-0.5 0.915 107.7 38.1 -42.8 -52.3 19.4 61.7 25.7 90 95 A I H >45S+ 0 0 37 1,-0.2 3,-1.8 -6,-0.2 -1,-0.2 0.963 118.7 47.7 -67.8 -50.6 20.0 59.7 22.6 91 96 A N H 3<5S+ 0 0 114 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.754 113.4 49.7 -62.9 -24.6 23.7 60.8 22.4 92 97 A D T 3<5S- 0 0 88 -4,-4.1 -1,-0.3 -5,-0.1 173,-0.2 0.333 106.0-129.8 -96.1 4.9 24.1 59.9 26.0 93 98 A K T < 5 + 0 0 84 -3,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.792 63.8 137.8 51.5 34.7 22.5 56.6 25.5 94 99 A R < + 0 0 39 -5,-2.3 168,-1.7 -6,-0.2 2,-0.3 0.315 47.8 74.1 -90.7 0.4 20.2 57.3 28.5 95 100 A A E -A 261 0A 0 -6,-0.5 2,-0.3 166,-0.2 166,-0.2 -0.881 54.1-172.8-116.6 148.7 17.0 56.0 27.0 96 101 A R E -A 260 0A 65 164,-0.9 164,-1.5 -2,-0.3 2,-0.4 -0.961 11.7-156.5-135.6 148.0 15.9 52.4 26.4 97 102 A T E -A 259 0A 12 -2,-0.3 2,-0.5 162,-0.2 162,-0.2 -0.991 9.6-166.5-139.1 137.8 12.7 51.4 24.5 98 103 A A E -A 258 0A 0 160,-1.9 160,-1.7 -2,-0.4 2,-0.3 -0.981 22.5-130.4-121.6 130.3 10.5 48.5 24.5 99 104 A Q E -A 257 0A 4 -30,-1.9 158,-0.2 -2,-0.5 -24,-0.0 -0.569 38.2-172.3 -76.1 136.0 7.9 47.8 21.8 100 105 A T E -A 256 0A 1 156,-2.1 2,-5.2 -2,-0.3 156,-1.3 -0.950 40.3 -94.0-140.9 157.9 4.5 47.0 23.4 101 106 A P S > S- 0 0 1 0, 0.0 4,-1.0 0, 0.0 154,-0.3 -0.035 93.2 -59.4 -57.8 51.2 0.9 45.8 22.8 102 107 A G H > S- 0 0 0 -2,-5.2 4,-0.7 152,-0.4 154,-0.3 -0.561 74.9 -59.9 103.1-173.8 -0.3 49.4 22.6 103 108 A G H > S+ 0 0 10 152,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.808 134.7 59.8 -78.2 -33.3 -0.3 52.3 25.0 104 109 A S H >> S+ 0 0 11 1,-0.2 4,-1.8 578,-0.2 3,-1.3 0.989 103.5 46.7 -55.7 -69.1 -2.2 50.2 27.3 105 110 A G H 3X S+ 0 0 0 -4,-1.0 4,-2.2 577,-0.4 -1,-0.2 0.715 111.4 53.3 -46.2 -27.3 0.4 47.4 27.5 106 111 A A H 3X S+ 0 0 0 -4,-0.7 4,-2.9 2,-0.2 -1,-0.3 0.882 107.3 51.4 -76.2 -38.9 3.1 50.1 28.1 107 112 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -3,-0.4 3,-0.8 0.982 112.8 47.2 -59.9 -56.3 5.3 50.6 33.5 111 116 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 5,-0.3 0.944 111.8 48.1 -49.3 -62.9 3.1 49.7 36.6 112 117 A D H 3X S+ 0 0 16 -4,-2.4 4,-0.8 1,-0.2 -1,-0.3 0.722 114.6 49.2 -55.8 -21.7 4.4 46.2 37.0 113 118 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 3,-1.2 0.980 115.5 50.8 -54.3 -65.8 7.6 50.4 39.3 115 120 A A H 3< S+ 0 0 38 -4,-2.4 4,-0.4 1,-0.3 -1,-0.2 0.815 116.6 40.6 -41.8 -48.1 5.6 48.2 41.7 116 121 A K H 3< S+ 0 0 126 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.654 129.0 22.4 -82.8 -21.4 8.1 45.5 41.6 117 122 A N H << S+ 0 0 28 -4,-1.5 -2,-0.2 -3,-1.2 -3,-0.2 0.364 115.5 49.7-131.9 8.1 11.3 47.4 41.6 118 123 A T S < S- 0 0 9 -4,-2.8 -3,-0.2 2,-0.1 3,-0.1 0.756 80.2-123.0-123.0 -25.5 10.9 50.9 43.1 119 124 A S + 0 0 110 -5,-0.5 2,-0.4 -4,-0.4 -4,-0.1 0.779 57.1 154.5 80.1 26.6 9.1 51.4 46.3 120 125 A V + 0 0 9 -6,-0.4 -1,-0.4 1,-0.2 -2,-0.1 -0.727 17.2 175.4 -85.7 143.4 6.8 53.6 44.5 121 126 A K + 0 0 114 51,-0.4 22,-2.0 -2,-0.4 2,-0.4 0.642 52.2 32.0-120.8 -33.1 3.5 53.6 46.4 122 129 A R E -b 143 0A 39 50,-0.3 52,-1.7 20,-0.2 2,-0.4 -0.992 52.1-157.0-143.3 145.2 1.2 55.9 44.7 123 133 A V E -bc 144 174A 0 20,-3.2 22,-2.5 -2,-0.4 2,-0.5 -0.945 14.6-146.5-114.4 131.4 0.4 57.4 41.4 124 134 A W E +bc 145 175A 14 50,-2.7 52,-1.8 -2,-0.4 2,-0.4 -0.834 20.3 178.0-101.4 127.3 -1.3 60.7 40.9 125 135 A V E - c 0 176A 2 20,-2.9 52,-0.1 -2,-0.5 4,-0.1 -0.961 27.6-100.9-140.4 126.3 -3.7 61.1 37.9 126 136 A S - 0 0 0 50,-0.6 22,-0.1 -2,-0.4 -1,-0.1 0.466 35.9 -92.4 -33.0 162.1 -5.8 64.0 36.9 127 137 A N S S+ 0 0 81 20,-0.5 23,-1.2 1,-0.3 22,-0.6 -0.986 115.5 22.1-131.2 115.1 -9.4 64.8 37.3 128 138 A P S S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.690 93.1 164.0 -84.6-177.8 -10.8 64.0 35.1 129 139 A S - 0 0 29 -2,-0.1 -2,-0.0 -4,-0.1 -4,-0.0 -0.811 49.4 -75.9-140.9 178.4 -8.6 61.3 33.6 130 140 A W > - 0 0 14 -2,-0.2 3,-2.5 53,-0.1 2,-0.5 -0.748 50.0-122.1 -85.0 121.9 -9.0 58.5 31.1 131 141 A P T 3> S+ 0 0 54 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.361 101.9 59.3 -47.0 1.0 -10.9 55.7 33.0 132 142 A N H 3> S+ 0 0 1 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.460 80.4 78.7-110.3 -7.3 -8.2 53.1 32.6 133 143 A H H <> S+ 0 0 0 -3,-2.5 4,-2.5 2,-0.2 5,-0.2 0.950 98.4 47.0 -63.0 -42.8 -5.4 54.7 34.2 134 144 A K H > S+ 0 0 90 -4,-0.4 4,-3.5 2,-0.2 5,-0.2 0.967 112.6 46.1 -57.7 -63.6 -6.9 53.7 37.5 135 145 A S H X S+ 0 0 33 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.863 113.9 50.8 -50.6 -44.7 -7.7 50.1 36.7 136 146 A V H < S+ 0 0 1 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.977 115.1 40.2 -60.2 -57.4 -4.2 49.6 35.2 137 147 A F H ><>S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.2 5,-0.9 0.852 112.9 54.8 -60.5 -40.6 -2.4 51.0 38.1 138 148 A N H ><5S+ 0 0 58 -4,-3.5 3,-4.7 1,-0.3 4,-0.2 0.976 101.3 58.2 -56.5 -55.5 -4.5 49.3 40.7 139 149 A S T 3<5S+ 0 0 40 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.640 103.6 53.1 -51.0 -16.3 -4.0 45.9 39.2 140 150 A A T < 5S- 0 0 21 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.414 126.6-106.7 -96.7 -1.8 -0.3 46.5 39.8 141 151 A G T < 5S+ 0 0 56 -3,-4.7 2,-0.3 1,-0.3 -3,-0.2 0.966 71.7 141.2 75.3 55.9 -1.2 47.3 43.4 142 152 A L < - 0 0 11 -5,-0.9 2,-0.5 -4,-0.2 -1,-0.3 -0.904 52.2-113.7-127.0 153.1 -0.7 51.0 43.4 143 154 A E E -b 122 0A 58 -22,-2.0 -20,-3.2 -2,-0.3 2,-0.7 -0.744 23.6-149.5 -90.4 130.4 -2.6 53.8 45.0 144 155 A V E +b 123 0A 9 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.851 19.2 175.0-107.7 110.2 -4.4 56.2 42.7 145 156 A R E -b 124 0A 113 -22,-2.5 -20,-2.9 -2,-0.7 2,-0.4 -0.830 22.8-129.6-107.7 151.4 -4.7 59.7 43.9 146 157 A E - 0 0 96 -2,-0.3 2,-0.2 -22,-0.2 -20,-0.2 -0.798 11.5-159.4-105.2 139.4 -6.2 62.6 41.9 147 158 A Y - 0 0 6 -2,-0.4 -20,-0.5 -22,-0.1 2,-0.3 -0.657 31.3-107.0-104.6 162.8 -4.9 66.0 41.2 148 159 A A + 0 0 35 13,-0.6 -22,-0.1 14,-0.3 3,-0.1 -0.661 50.6 146.8 -91.0 153.1 -7.1 68.8 40.2 149 160 A Y + 0 0 15 -22,-0.6 9,-0.9 1,-0.3 2,-0.6 0.574 40.8 68.6-146.2 -48.0 -7.0 70.0 36.6 150 161 A Y E -G 157 0B 43 -23,-1.2 2,-1.0 7,-0.2 -1,-0.3 -0.802 53.5-151.6-101.2 126.6 -10.0 71.3 34.9 151 162 A D E > > -G 156 0B 42 5,-5.8 5,-2.0 -2,-0.6 3,-0.7 -0.779 12.2-169.8 -94.2 100.6 -11.8 74.5 35.6 152 163 A A G > 5S+ 0 0 62 -2,-1.0 3,-4.6 3,-0.2 -1,-0.2 0.961 75.7 60.6 -46.2 -78.8 -15.4 73.8 34.6 153 164 A E G 3 5S+ 0 0 169 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.549 126.6 15.6 -24.5 -39.1 -16.8 77.4 34.9 154 165 A N G < 5S- 0 0 118 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.163 107.9-118.9-129.8 18.6 -14.5 78.8 32.2 155 166 A H T < 5 + 0 0 49 -3,-4.6 2,-0.3 -4,-0.4 -3,-0.2 0.937 66.9 119.3 43.0 76.2 -13.4 75.5 30.8 156 167 A T E - 0 0 60 -2,-1.3 4,-2.2 -9,-0.9 5,-0.1 -0.464 12.9-173.5 -63.5 85.5 -6.8 75.8 36.7 159 170 A F H > S+ 0 0 32 -2,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.800 80.0 60.4 -54.2 -24.6 -3.0 76.0 37.1 160 171 A D H > S+ 0 0 111 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.989 106.5 37.4 -69.2 -60.7 -3.9 77.0 40.7 161 172 A A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -13,-0.6 0.828 116.1 61.1 -61.5 -24.3 -5.8 74.0 41.9 162 173 A L H X S+ 0 0 5 -4,-2.2 4,-0.9 1,-0.2 -14,-0.3 0.999 110.2 36.7 -61.1 -63.6 -3.2 72.1 39.8 163 174 A I H < S+ 0 0 40 -4,-3.1 -2,-0.2 1,-0.2 4,-0.2 0.814 119.2 49.7 -57.7 -37.7 -0.3 73.4 41.8 164 175 A N H >< S+ 0 0 111 -4,-3.0 3,-1.3 1,-0.2 4,-0.3 0.926 108.0 50.3 -73.3 -40.8 -2.1 73.3 45.1 165 176 A S H 3< S+ 0 0 25 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.641 108.9 54.3 -70.7 -14.5 -3.4 69.7 44.9 166 177 A L T >< S+ 0 0 2 -4,-0.9 3,-1.8 1,-0.2 -1,-0.3 0.397 81.5 88.9 -97.5 -2.7 -0.0 68.5 44.0 167 178 A N T < S+ 0 0 81 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 86.2 54.5 -66.7 -21.5 1.5 70.0 47.0 168 179 A E T 3 S+ 0 0 133 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.378 78.6 116.7 -90.7 5.1 0.7 66.8 48.8 169 180 A A < - 0 0 8 -3,-1.8 2,-0.2 1,-0.1 37,-0.0 -0.503 64.0-135.4 -64.8 144.0 2.5 64.8 46.2 170 181 A Q > - 0 0 120 -48,-0.1 3,-2.2 -2,-0.1 2,-0.2 -0.646 21.8 -91.0-102.6 165.2 5.3 63.1 48.1 171 182 A A T 3 S+ 0 0 78 1,-0.3 35,-0.2 -2,-0.2 34,-0.2 -0.539 120.5 26.7 -67.8 136.7 8.9 62.8 47.2 172 183 A G T 3 S+ 0 0 25 33,-3.2 -51,-0.4 1,-0.3 -50,-0.3 0.516 95.0 128.7 86.8 3.8 9.1 59.5 45.3 173 184 A D < - 0 0 5 -3,-2.2 34,-2.2 32,-0.3 2,-0.6 -0.350 60.5-120.3 -80.3 177.2 5.5 59.8 44.3 174 185 A V E -cd 123 207A 0 -52,-1.7 -50,-2.7 32,-0.2 2,-0.4 -0.955 20.0-160.6-124.3 116.5 4.7 59.4 40.6 175 186 A V E -cd 124 208A 0 32,-1.5 34,-2.7 -2,-0.6 2,-0.6 -0.799 10.7-150.0 -94.3 132.6 3.0 62.2 38.8 176 187 A L E -cd 125 209A 1 -52,-1.8 -50,-0.6 -2,-0.4 2,-0.3 -0.887 15.4-177.0-113.5 117.8 1.2 61.3 35.5 177 188 A F E - d 0 210A 7 32,-1.2 34,-4.1 -2,-0.6 2,-0.7 -0.849 28.5-135.0-113.2 141.7 0.9 63.6 32.6 178 189 A H E - d 0 211A 12 -2,-0.3 34,-0.2 32,-0.2 3,-0.1 -0.866 24.5-144.0 -85.5 112.8 -0.8 63.5 29.2 179 190 A G S S- 0 0 4 -2,-0.7 48,-0.3 32,-0.6 2,-0.3 0.767 72.4 -23.8 -53.6 -33.9 2.0 64.9 26.9 180 191 A C S S+ 0 0 5 31,-0.4 33,-0.4 1,-0.2 -1,-0.2 -0.962 117.0 46.0-170.0 159.8 -0.7 66.6 24.7 181 192 A C S S- 0 0 7 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.989 76.3-133.2 60.2 75.9 -4.3 66.4 23.8 182 193 A H > - 0 0 4 -4,-0.1 4,-0.7 -3,-0.1 -1,-0.1 -0.433 20.6-120.5 -67.0 118.3 -5.9 65.8 27.2 183 194 A N T 4 S+ 0 0 9 -2,-0.4 -53,-0.1 1,-0.3 -1,-0.0 -0.904 93.3 5.7-106.5 118.6 -8.4 63.0 27.3 184 195 A P T 4 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 191,-0.1 -0.908 135.2 40.9-109.7 24.5 -11.0 63.8 28.1 185 196 A T T 4 S- 0 0 1 2,-0.2 165,-0.9 -57,-0.1 -2,-0.2 0.952 75.3-139.9 -89.6 -54.1 -10.8 67.6 28.3 186 197 A G < + 0 0 1 -4,-0.7 159,-1.9 1,-0.4 2,-0.4 0.594 60.8 122.4 101.4 17.2 -8.7 68.8 25.4 187 198 A I - 0 0 13 157,-0.2 -1,-0.4 -5,-0.1 -2,-0.2 -0.938 39.1-172.5-114.5 134.2 -6.9 71.4 27.4 188 199 A D - 0 0 33 -2,-0.4 -31,-0.1 -3,-0.1 5,-0.1 -0.946 27.7-107.5-128.1 150.2 -3.2 71.4 27.8 189 200 A P - 0 0 9 0, 0.0 38,-0.1 0, 0.0 0, 0.0 -0.426 43.1-111.4 -70.1 150.3 -0.7 73.4 29.8 190 201 A T > - 0 0 68 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.153 30.6-100.1 -71.1 169.5 1.4 75.9 27.9 191 202 A L H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.917 131.1 47.5 -59.7 -35.1 5.1 75.5 27.2 192 203 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.993 110.2 47.7 -65.4 -59.4 5.4 77.9 30.1 193 204 A Q H > S+ 0 0 49 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.803 116.0 49.1 -51.1 -29.2 3.0 76.0 32.3 194 205 A W H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -1,-0.3 0.907 105.5 55.2 -73.2 -45.3 5.0 73.0 31.3 195 206 A Q H X S+ 0 0 83 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.798 109.9 48.7 -57.2 -32.0 8.3 74.7 32.0 196 207 A T H >X S+ 0 0 55 -4,-2.1 4,-2.7 2,-0.2 3,-0.6 0.933 108.1 49.4 -73.5 -56.3 7.1 75.4 35.5 197 208 A L H 3X S+ 0 0 2 -4,-1.6 4,-1.7 1,-0.3 5,-0.3 0.908 108.1 56.9 -53.2 -42.5 5.8 71.9 36.4 198 209 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.878 108.1 48.4 -56.2 -37.1 9.1 70.6 35.2 199 210 A Q H X S+ 0 0 30 -4,-2.7 4,-2.6 2,-0.2 3,-0.6 0.986 108.8 53.7 -54.4 -77.9 8.4 71.8 40.6 201 212 A S H 3<>S+ 0 0 0 -4,-1.7 5,-2.6 1,-0.3 4,-0.3 0.675 112.6 47.7 -30.7 -36.3 8.6 68.1 40.0 202 213 A V H ><5S+ 0 0 70 -4,-1.0 3,-1.6 -5,-0.3 -1,-0.3 0.978 115.2 43.5 -69.4 -59.0 12.3 68.4 40.1 203 214 A E H <<5S+ 0 0 135 -4,-2.3 -2,-0.2 -3,-0.6 -3,-0.2 0.816 118.4 44.8 -54.2 -39.7 12.3 70.5 43.3 204 215 A K T 3<5S- 0 0 66 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.360 112.1-115.9 -92.1 3.1 9.7 68.3 44.9 205 216 A G T < 5 + 0 0 34 -3,-1.6 -33,-3.2 -5,-0.4 -32,-0.3 0.828 55.6 157.7 66.9 41.3 11.3 64.9 44.0 206 217 A W < - 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