==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-OCT-10 3P8T . COMPND 2 MOLECULE: ASNS-LIKE ASPARAGINYL-TRNA SYNTHETASE RELATED PRO . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR M.BLAISE,D.KERN . 588 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 17.0 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 . 4 0.7 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 . 32 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 0 2 0 3 3 4 1 1 0 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 0 4 2 2 2 0 2 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 2 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 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 M 0 0 129 0, 0.0 292,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 162.8 1.4 -12.2 27.7 2 2 A N > - 0 0 87 291,-0.1 4,-2.5 290,-0.1 5,-0.2 -0.405 360.0 -93.2 -85.3 170.9 -0.2 -9.6 29.8 3 3 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.888 123.5 44.3 -57.0 -49.5 1.7 -6.7 31.3 4 4 A V H > S+ 0 0 40 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.913 113.1 53.4 -63.6 -41.0 2.6 -8.2 34.7 5 5 A E H >4 S+ 0 0 89 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.930 108.3 50.7 -55.5 -47.8 3.5 -11.5 33.0 6 6 A I H >< S+ 0 0 9 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.912 111.8 45.1 -60.9 -44.2 5.9 -9.6 30.7 7 7 A I H 3< S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.639 102.5 68.6 -78.5 -8.7 7.7 -7.8 33.5 8 8 A S T << S+ 0 0 67 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.552 76.3 106.1 -88.0 -6.8 8.0 -10.9 35.6 9 9 A R < - 0 0 43 -3,-1.0 2,-0.9 -4,-0.4 3,-0.0 -0.380 69.2-132.7 -71.6 148.6 10.4 -12.7 33.3 10 10 A D + 0 0 137 1,-0.1 3,-0.1 -2,-0.1 4,-0.1 -0.861 45.7 147.4-100.6 98.7 14.1 -13.0 34.2 11 11 A I > + 0 0 11 -2,-0.9 4,-2.3 370,-0.3 5,-0.2 0.044 28.3 121.3-116.3 22.0 15.9 -12.0 31.1 12 12 A Y H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 74.9 49.1 -52.6 -46.8 18.9 -10.5 33.0 13 13 A K H > S+ 0 0 169 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 110.0 51.0 -62.9 -40.9 21.4 -12.9 31.3 14 14 A A H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 111.5 47.7 -62.9 -39.8 20.0 -12.1 27.8 15 15 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 316,-0.4 0.864 108.4 53.8 -72.5 -36.4 20.3 -8.4 28.4 16 16 A D H X S+ 0 0 55 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.922 111.5 47.3 -59.7 -43.2 23.9 -8.7 29.8 17 17 A I H X S+ 0 0 13 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.932 109.5 52.5 -63.3 -45.8 24.7 -10.5 26.5 18 18 A Q H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.872 107.0 53.9 -56.5 -37.8 22.9 -7.8 24.4 19 19 A T H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.930 109.7 46.4 -65.4 -43.9 25.0 -5.2 26.2 20 20 A K H X S+ 0 0 75 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.877 112.4 51.2 -65.2 -37.9 28.2 -7.0 25.3 21 21 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.935 110.9 46.8 -65.7 -45.9 27.1 -7.4 21.7 22 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.910 112.6 50.1 -64.1 -41.1 26.2 -3.8 21.3 23 23 A D H X S+ 0 0 73 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.944 115.1 44.4 -59.3 -48.3 29.5 -2.7 22.8 24 24 A Y H X S+ 0 0 39 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.924 115.9 44.9 -62.9 -47.2 31.4 -5.1 20.5 25 25 A M H X S+ 0 0 0 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.900 113.4 48.1 -70.7 -42.1 29.5 -4.2 17.3 26 26 A T H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.940 113.8 47.3 -64.5 -44.8 29.5 -0.4 17.7 27 27 A K H X S+ 0 0 107 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.848 104.3 62.7 -62.6 -34.7 33.3 -0.4 18.5 28 28 A F H X S+ 0 0 10 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.935 111.4 37.7 -56.5 -45.4 33.9 -2.7 15.5 29 29 A F H ><>S+ 0 0 2 -4,-1.6 5,-2.1 2,-0.2 3,-0.8 0.910 115.8 49.0 -76.7 -43.4 32.6 0.1 13.2 30 30 A T H ><5S+ 0 0 28 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.856 106.4 59.2 -66.4 -31.4 34.0 3.1 15.0 31 31 A D H 3<5S+ 0 0 95 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.776 105.0 51.9 -61.9 -26.3 37.4 1.4 15.1 32 32 A R T <<5S- 0 0 79 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.119 126.0 -97.0-102.4 20.4 37.2 1.3 11.3 33 33 A G T < 5S+ 0 0 38 -3,-1.5 57,-0.2 1,-0.3 -3,-0.2 0.558 71.1 151.8 82.1 7.8 36.5 4.9 10.7 34 34 A F < - 0 0 6 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.470 43.2-127.3 -71.2 143.3 32.7 4.6 10.4 35 35 A K E -a 91 0A 25 55,-2.8 57,-2.4 53,-0.2 2,-0.7 -0.724 18.5-130.9 -90.1 142.2 30.6 7.6 11.4 36 36 A W E -a 92 0A 3 274,-0.4 2,-0.2 -2,-0.3 57,-0.2 -0.841 28.0-171.1-101.6 107.4 27.8 6.9 13.9 37 37 A L E -a 93 0A 5 55,-3.2 57,-0.6 -2,-0.7 273,-0.0 -0.602 20.0-122.8 -95.9 160.0 24.4 8.4 12.8 38 38 A L - 0 0 20 -2,-0.2 57,-0.1 55,-0.1 2,-0.1 -0.699 35.8-106.4 -96.5 152.2 21.2 8.7 14.7 39 39 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.321 17.1-142.9 -79.5 158.2 18.0 7.1 13.3 40 40 A I - 0 0 10 1,-0.1 3,-0.1 56,-0.1 39,-0.1 -0.943 13.5-177.9-113.2 145.7 15.0 8.7 11.6 41 41 A M + 0 0 0 -2,-0.4 32,-1.5 1,-0.2 2,-0.4 0.615 67.2 46.7-113.5 -22.9 11.6 7.2 12.3 42 42 A L E +H 72 0B 0 30,-0.2 -1,-0.2 547,-0.1 30,-0.2 -0.988 61.7 141.9-129.6 130.2 9.3 9.4 10.2 43 43 A S E -H 71 0B 1 28,-1.6 28,-3.1 -2,-0.4 546,-0.1 -0.987 58.0-113.1-158.5 153.5 9.8 10.4 6.5 44 44 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 200,-0.1 0.764 105.2 41.5 -62.1 -19.2 7.7 10.9 3.4 45 45 A I + 0 0 2 26,-0.1 2,-0.3 198,-0.1 198,-0.1 -0.920 64.5 161.1-130.1 151.6 9.5 7.9 2.0 46 46 A T - 0 0 8 196,-0.4 30,-0.1 -2,-0.3 27,-0.1 -0.976 50.3 -61.4-156.5 167.6 10.7 4.5 3.2 47 47 A D - 0 0 4 28,-1.0 27,-0.1 -2,-0.3 29,-0.0 -0.324 38.7-150.1 -48.0 123.8 11.9 1.1 2.1 48 48 A P - 0 0 20 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.719 14.3-147.7 -74.5 -19.1 9.0 -0.6 0.1 49 49 A L + 0 0 15 1,-0.1 8,-0.4 2,-0.1 9,-0.2 0.800 53.1 138.2 53.8 31.5 10.1 -4.1 1.2 50 50 A W + 0 0 107 1,-0.3 143,-0.4 7,-0.1 2,-0.2 -0.952 44.3 31.9-163.7 142.6 8.8 -5.2 -2.2 51 51 A P S S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.708 88.9 133.2 -61.0 152.5 9.5 -7.0 -4.4 52 52 A D > - 0 0 25 139,-0.2 3,-2.3 3,-0.2 5,-0.2 -0.654 51.7-148.8-173.2 111.8 11.1 -9.3 -1.9 53 53 A P T 3 S+ 0 0 61 0, 0.0 138,-0.1 0, 0.0 -3,-0.0 0.699 101.3 62.2 -61.1 -16.5 10.7 -13.1 -1.6 54 54 A A T 3 S+ 0 0 37 -3,-0.0 2,-0.2 2,-0.0 -4,-0.0 0.604 103.3 58.9 -81.2 -13.1 11.2 -12.6 2.2 55 55 A G < - 0 0 19 -3,-2.3 -3,-0.2 -6,-0.1 -6,-0.0 -0.629 67.8-141.1-115.5 170.4 8.1 -10.5 2.5 56 56 A E - 0 0 81 -2,-0.2 -6,-0.1 -5,-0.1 -1,-0.1 0.255 65.8 -91.6-110.0 7.1 4.3 -10.6 1.9 57 57 A G - 0 0 31 -8,-0.4 -7,-0.1 -5,-0.2 -8,-0.1 0.863 57.8-174.1 90.2 40.5 4.1 -7.0 0.6 58 58 A I - 0 0 31 -9,-0.2 -1,-0.1 1,-0.1 43,-0.1 -0.303 18.1-134.4 -68.8 148.3 3.3 -5.1 3.8 59 59 A R - 0 0 219 41,-0.2 41,-0.2 1,-0.1 3,-0.1 -0.819 30.4-105.1 -99.2 146.2 2.5 -1.4 3.7 60 60 A P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 39,-0.1 -0.242 33.2-100.6 -70.0 153.9 4.2 0.9 6.3 61 61 A A - 0 0 9 37,-0.3 11,-2.8 11,-0.1 2,-0.4 -0.514 46.2-155.9 -64.2 142.7 2.5 2.4 9.3 62 62 A E E +I 71 0B 77 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.958 18.9 175.4-128.7 145.0 1.6 6.0 8.5 63 63 A V E -I 70 0B 13 7,-2.1 7,-2.5 -2,-0.4 2,-0.3 -0.994 30.8-115.2-144.1 145.0 1.0 9.0 10.6 64 64 A D E -I 69 0B 104 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.618 21.8-166.6 -79.3 139.4 0.3 12.7 9.8 65 65 A V E > S-I 68 0B 0 3,-2.6 3,-2.0 -2,-0.3 -2,-0.0 -0.975 79.9 -22.5-126.4 111.9 2.9 15.3 10.9 66 66 A Y T 3 S- 0 0 74 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.882 130.8 -48.2 49.7 42.7 1.5 18.8 10.6 67 67 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.297 116.7 114.7 89.4 -8.5 -1.0 17.6 8.1 68 68 A V E < - I 0 65B 59 -3,-2.0 -3,-2.6 1,-0.0 2,-0.3 -0.836 69.9-116.0-107.0 130.6 1.5 15.7 6.0 69 69 A R E - I 0 64B 122 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.422 36.3-176.5 -64.0 119.9 1.6 11.9 5.6 70 70 A M E - I 0 63B 0 -7,-2.5 -7,-2.1 -2,-0.3 2,-0.4 -0.886 17.7-136.6-114.4 152.0 4.7 10.3 7.0 71 71 A R E -HI 43 62B 33 -28,-3.1 -28,-1.6 -2,-0.3 -9,-0.2 -0.899 19.0-122.9-106.1 134.5 5.8 6.7 6.9 72 72 A L E -H 42 0B 1 -11,-2.8 2,-0.2 -2,-0.4 -30,-0.2 -0.536 51.6 -82.8 -68.9 141.8 7.3 4.9 9.9 73 73 A T + 0 0 1 -32,-1.5 25,-3.1 -2,-0.2 3,-0.2 -0.280 44.4 174.9 -60.5 113.4 10.7 3.5 9.0 74 74 A H S S- 0 0 1 1,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.901 82.0 -33.3 -72.8 -50.9 10.6 0.1 7.2 75 75 A S - 0 0 7 22,-0.1 -28,-1.0 -3,-0.1 -1,-0.5 -0.937 54.0-119.4-157.5 165.2 14.3 0.5 6.9 76 76 A M S > S+ 0 0 3 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.187 70.9 123.0 -89.9 18.6 16.7 3.5 6.5 77 77 A I H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 76.3 43.5 -48.0 -51.8 18.1 2.2 3.2 78 78 A L H > S+ 0 0 1 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.905 114.6 50.6 -64.9 -39.1 17.2 5.3 1.2 79 79 A H H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.836 106.0 56.3 -67.1 -33.0 18.4 7.5 4.0 80 80 A K H X S+ 0 0 4 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.909 107.2 48.8 -61.3 -43.4 21.7 5.5 4.1 81 81 A Q H X S+ 0 0 3 -4,-1.9 4,-2.0 -5,-0.2 175,-0.3 0.886 110.2 51.9 -63.2 -38.1 22.2 6.3 0.4 82 82 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.884 104.6 55.3 -66.9 -36.2 21.5 9.9 1.1 83 83 A A H <>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 -1,-0.2 0.887 108.0 49.6 -62.5 -37.3 24.1 9.9 3.9 84 84 A I H ><5S+ 0 0 1 -4,-1.8 3,-2.0 1,-0.2 5,-0.3 0.897 106.2 55.9 -66.3 -39.1 26.6 8.7 1.3 85 85 A A H 3<5S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 100.7 59.7 -60.1 -29.2 25.4 11.6 -1.0 86 86 A M T 3<5S- 0 0 16 -4,-1.4 220,-0.4 -5,-0.1 -1,-0.3 0.385 121.1-111.9 -81.7 3.6 26.3 13.9 1.8 87 87 A G T < 5S+ 0 0 21 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.692 74.7 136.8 79.6 21.0 29.9 12.6 1.6 88 88 A L < - 0 0 1 -5,-1.7 2,-2.4 1,-0.2 -53,-0.2 0.607 42.4-162.3 -79.1 -11.4 30.0 10.8 4.9 89 89 A E + 0 0 94 -5,-0.3 33,-3.0 -6,-0.2 2,-0.4 -0.249 67.1 26.3 73.3 -57.7 31.8 7.8 3.3 90 90 A K E S+ B 0 121A 73 -2,-2.4 -55,-2.8 31,-0.2 2,-0.3 -0.952 77.6 167.9-141.8 118.4 31.2 5.1 5.8 91 91 A I E -aB 35 120A 1 29,-2.5 29,-2.2 -2,-0.4 2,-0.3 -0.944 14.8-178.0-134.5 151.6 28.2 5.2 8.1 92 92 A F E -aB 36 119A 0 -57,-2.4 -55,-3.2 -2,-0.3 2,-0.3 -0.980 3.6-174.7-141.4 161.9 26.3 3.1 10.6 93 93 A V E -aB 37 118A 0 25,-1.7 25,-2.9 -2,-0.3 2,-1.2 -0.990 33.3-126.5-150.6 143.9 23.2 3.6 12.7 94 94 A L E - B 0 117A 18 -57,-0.6 23,-0.2 -2,-0.3 -2,-0.0 -0.833 48.8-173.4 -86.7 96.7 21.3 1.6 15.3 95 95 A S E - B 0 116A 0 21,-2.9 21,-2.8 -2,-1.2 2,-0.3 -0.863 23.0-140.8-108.4 114.4 18.1 1.9 13.4 96 96 A P E - B 0 115A 1 0, 0.0 2,-0.4 0, 0.0 19,-0.3 -0.538 20.1-159.1 -68.1 132.8 14.7 0.8 14.7 97 97 A N E - B 0 114A 0 17,-3.3 17,-2.0 -2,-0.3 2,-0.5 -0.937 6.2-156.3-113.0 138.3 12.6 -0.8 11.9 98 98 A I E + B 0 113A 1 -25,-3.1 2,-0.5 -2,-0.4 -37,-0.3 -0.970 21.1 165.3-115.6 111.3 8.8 -1.1 12.1 99 99 A R - 0 0 50 13,-2.3 2,-2.4 -2,-0.5 -2,-0.1 -0.919 24.9-156.3-131.5 103.3 7.5 -3.9 10.0 100 100 A L + 0 0 30 -2,-0.5 -41,-0.2 -41,-0.2 261,-0.1 -0.415 31.4 172.2 -82.2 66.5 3.9 -4.8 10.8 101 101 A E - 0 0 18 -2,-2.4 188,-0.7 1,-0.1 11,-0.1 -0.255 30.1 -99.7 -78.8 165.7 4.2 -8.3 9.4 102 102 A S > - 0 0 22 186,-0.2 3,-2.1 1,-0.1 -1,-0.1 -0.223 31.9-100.5 -82.5 170.1 1.5 -11.0 9.7 103 103 A R G > S+ 0 0 126 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.769 118.2 72.6 -55.2 -25.2 1.2 -14.0 12.1 104 104 A R G 3 S+ 0 0 185 1,-0.3 -1,-0.3 3,-0.0 185,-0.0 0.692 94.7 51.7 -68.9 -16.2 2.5 -16.0 9.2 105 105 A K G < S+ 0 0 44 -3,-2.1 2,-2.0 1,-0.1 5,-0.4 0.283 74.4 111.8-100.2 7.2 5.9 -14.5 9.8 106 106 A D < + 0 0 44 -3,-1.8 -1,-0.1 1,-0.2 -3,-0.1 -0.544 33.5 138.4 -79.3 77.0 6.0 -15.3 13.5 107 107 A D S S- 0 0 65 -2,-2.0 -1,-0.2 170,-0.0 -3,-0.0 0.228 79.2 -92.8-108.5 8.5 8.8 -17.9 13.0 108 108 A G S S+ 0 0 2 2,-0.2 170,-2.3 -3,-0.1 -2,-0.1 0.145 119.0 61.8 98.5 -19.9 10.9 -17.0 16.1 109 109 A R S S+ 0 0 21 -4,-0.2 2,-0.3 168,-0.1 -3,-0.1 0.581 84.0 86.9-111.6 -13.3 13.2 -14.5 14.4 110 110 A H + 0 0 21 -5,-0.4 2,-0.3 178,-0.0 -2,-0.2 -0.634 46.3 173.8 -90.7 150.0 10.8 -11.8 13.3 111 111 A S - 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G 0 259A 22 -18,-2.6 -25,-2.5 -2,-0.3 2,-0.3 -0.484 60.0-122.4 -67.6 160.8 25.5 -3.0 -3.6 222 222 A R B -J 195 0C 9 36,-2.2 2,-0.3 -27,-0.3 36,-0.3 -0.796 1.9-120.4-116.6 154.6 23.1 -0.2 -4.8 223 223 A E + 0 0 0 -29,-2.0 33,-0.1 -2,-0.3 -27,-0.1 -0.657 30.6 168.6 -75.8 145.6 21.6 1.3 -7.8 224 224 A W + 0 0 69 -2,-0.3 2,-0.5 31,-0.1 31,-0.4 0.406 41.9 102.2-134.3 -7.7 22.4 5.0 -8.2 225 225 A E > - 0 0 81 1,-0.1 4,-2.4 28,-0.0 3,-0.2 -0.720 63.8-141.9 -91.8 124.7 21.3 5.9 -11.7 226 226 A Y H > S+ 0 0 37 24,-0.6 4,-2.7 -2,-0.5 5,-0.2 0.885 97.5 46.8 -48.3 -54.7 18.0 7.7 -12.1 227 227 A E H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 113.5 48.7 -62.1 -39.6 16.7 6.0 -15.2 228 228 A K H > S+ 0 0 54 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 112.4 48.5 -65.5 -43.8 17.5 2.5 -13.9 229 229 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 111.9 48.1 -63.2 -45.6 15.9 3.2 -10.6 230 230 A V H X S+ 0 0 17 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.928 110.0 52.6 -64.4 -42.0 12.7 4.6 -12.1 231 231 A A H X S+ 0 0 57 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.912 110.8 47.3 -59.8 -40.6 12.4 1.6 -14.5 232 232 A K H X S+ 0 0 30 -4,-1.9 4,-1.3 2,-0.2 6,-0.2 0.897 111.0 51.2 -70.7 -39.3 12.7 -0.9 -11.7 233 233 A I H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-0.4 0.944 114.3 43.4 -59.4 -49.2 10.1 1.0 -9.6 234 234 A R H ><5S+ 0 0 164 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.894 108.2 58.1 -65.6 -39.5 7.6 1.1 -12.5 235 235 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.8 50.9 -62.6 -28.4 8.3 -2.6 -13.4 236 236 A A T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.412 117.8-113.1 -87.3 -0.9 7.2 -3.6 -9.9 237 237 A G T < 5S+ 0 0 47 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.614 73.1 137.3 75.7 13.3 4.0 -1.6 -10.1 238 238 A L < - 0 0 43 -5,-2.0 2,-0.5 -6,-0.2 -1,-0.3 -0.365 53.8-108.8 -83.9 173.1 5.3 0.7 -7.4 239 239 A K > - 0 0 128 1,-0.1 3,-1.6 -2,-0.1 4,-0.2 -0.897 5.1-148.3-116.5 128.7 4.8 4.5 -7.7 240 240 A E G > S+ 0 0 59 -2,-0.5 3,-2.1 1,-0.3 7,-0.2 0.824 100.8 69.1 -54.0 -33.8 7.4 7.2 -8.3 241 241 A D G > S+ 0 0 129 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.791 90.5 61.0 -56.7 -29.2 5.2 9.4 -6.2 242 242 A S G < S+ 0 0 31 -3,-1.6 -196,-0.4 1,-0.2 -1,-0.3 0.565 113.6 34.0 -76.7 -7.6 6.2 7.3 -3.2 243 243 A F G <> S+ 0 0 7 -3,-2.1 4,-2.7 -4,-0.2 3,-0.4 0.078 77.4 139.1-132.1 23.2 9.9 8.2 -3.6 244 244 A R H <> S+ 0 0 155 -3,-0.9 4,-2.0 1,-0.2 5,-0.2 0.821 71.7 39.5 -48.4 -57.9 9.7 11.8 -4.8 245 245 A P H > S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.875 117.2 51.3 -65.7 -34.3 12.5 13.6 -2.9 246 246 A Y H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.910 110.5 49.0 -63.6 -41.9 14.8 10.6 -3.3 247 247 A L H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.810 106.9 56.2 -69.7 -27.6 14.1 10.5 -7.0 248 248 A E H X S+ 0 0 77 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.902 108.9 47.2 -66.0 -39.4 14.8 14.2 -7.2 249 249 A I H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 6,-0.3 0.925 113.4 48.1 -68.1 -42.4 18.2 13.6 -5.7 250 250 A A H ><5S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.2 -24,-0.6 0.903 109.2 52.7 -63.8 -42.7 18.8 10.7 -8.1 251 251 A R H 3<5S+ 0 0 175 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.847 103.4 58.1 -61.8 -33.3 17.8 12.8 -11.1 252 252 A A T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.517 117.9-115.7 -74.5 -5.2 20.2 15.4 -10.1 253 253 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.677 78.2 126.9 81.1 19.9 22.9 12.8 -10.3 254 254 A K < + 0 0 90 -5,-2.1 2,-0.2 2,-0.1 -4,-0.2 0.509 37.4 96.0 -95.0 -6.9 23.8 12.9 -6.6 255 255 A L - 0 0 7 -31,-0.4 -31,-0.1 -6,-0.3 -29,-0.1 -0.617 59.9-158.1 -77.2 147.8 23.5 9.2 -5.6 256 256 A K - 0 0 67 -175,-0.3 -171,-0.1 -2,-0.2 -172,-0.1 -0.888 27.8 -88.9-123.2 154.7 26.8 7.4 -5.6 257 257 A P + 0 0 56 0, 0.0 -134,-2.4 0, 0.0 2,-0.3 -0.364 62.4 149.5 -57.7 140.7 27.7 3.7 -5.9 258 258 A S E -C 122 0A 3 -136,-0.3 -36,-2.2 -36,-0.3 2,-0.3 -0.968 31.2-150.2-160.9 169.3 27.7 2.1 -2.5 259 259 A A E +CG 121 221A 0 -138,-1.9 -138,-2.8 -2,-0.3 2,-0.3 -0.988 26.0 139.8-147.4 153.7 27.1 -1.2 -0.6 260 260 A G E -CG 120 220A 0 -40,-1.8 -40,-1.5 -2,-0.3 2,-0.3 -0.905 25.5-142.1-168.5-168.0 26.0 -2.0 2.9 261 261 A A E -CG 119 219A 0 -142,-1.7 -142,-2.8 -2,-0.3 2,-0.4 -0.979 14.4-126.1-166.6 160.0 23.9 -4.3 5.1 262 262 A G E -CG 118 218A 3 -44,-2.4 -44,-1.7 -2,-0.3 2,-0.5 -0.949 20.9-155.5-114.4 144.4 21.7 -4.3 8.2 263 263 A I E -CG 117 217A 0 -146,-1.8 -146,-2.8 -2,-0.4 2,-0.9 -0.981 18.5-126.4-123.5 125.9 22.4 -6.7 11.0 264 264 A G E > -C 116 0A 1 -48,-2.9 4,-1.8 -2,-0.5 -148,-0.2 -0.582 21.4-171.2 -74.7 104.3 19.7 -7.9 13.4 265 265 A V H > S+ 0 0 0 -150,-1.5 4,-2.1 -2,-0.9 3,-0.3 0.945 86.4 45.3 -61.3 -49.7 21.0 -7.1 16.9 266 266 A E H > S+ 0 0 18 -151,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.821 108.7 57.3 -66.6 -30.4 18.2 -9.0 18.7 267 267 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 108.1 47.8 -65.8 -36.1 18.5 -11.9 16.3 268 268 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.3 5,-0.3 0.886 109.4 52.1 -69.3 -40.8 22.1 -12.2 17.4 269 269 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.963 111.2 48.9 -57.7 -49.0 21.2 -12.0 21.1 270 270 A R H X>S+ 0 0 16 -4,-2.7 5,-2.2 1,-0.2 4,-1.8 0.924 112.5 47.4 -54.1 -49.9 18.7 -14.8 20.4 271 271 A F H <5S+ 0 0 11 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.916 114.1 45.3 -59.8 -44.8 21.3 -16.9 18.7 272 272 A I H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.901 117.0 44.4 -72.9 -36.8 24.0 -16.4 21.3 273 273 A V H <5S- 0 0 50 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.779 108.4-128.6 -71.9 -27.3 21.6 -17.1 24.2 274 274 A G T <5 + 0 0 37 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.803 43.8 173.3 81.1 32.0 20.2 -20.0 22.3 275 275 A A < - 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