==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 11-SEP-02 1H3N . COMPND 2 MOLECULE: LEUCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.CUSACK,A.YAREMCHUK,M.TUKALO . 814 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 54 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 6 1 2 3 1 1 1 2 1 1 2 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 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 . 4 5 5 3 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 6 3 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 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 0 125 0, 0.0 696,-0.0 0, 0.0 692,-0.0 0.000 360.0 360.0 360.0 131.3 63.0 21.5 93.1 2 2 A E - 0 0 95 1,-0.1 2,-0.3 694,-0.1 694,-0.1 -0.162 360.0-134.7 -66.0 163.2 62.3 24.8 91.4 3 3 A K - 0 0 169 1,-0.1 -1,-0.1 693,-0.0 686,-0.1 -0.772 33.4 -69.7-120.9 164.7 58.7 26.0 90.6 4 4 A Y - 0 0 12 -2,-0.3 -1,-0.1 685,-0.2 685,-0.1 -0.244 47.9-175.8 -51.4 128.7 56.9 27.5 87.7 5 5 A N - 0 0 90 1,-0.1 4,-0.4 2,-0.1 -1,-0.1 -0.907 14.8-171.1-135.1 105.0 58.0 31.1 87.1 6 6 A P > + 0 0 3 0, 0.0 4,-1.5 0, 0.0 651,-0.1 0.724 57.0 105.8 -67.2 -23.0 56.2 33.1 84.4 7 7 A H T 4 S- 0 0 96 1,-0.2 2,-1.8 2,-0.2 -2,-0.1 -0.315 91.6 -2.0 -63.4 139.4 58.7 35.9 84.6 8 8 A A T > S+ 0 0 83 1,-0.2 4,-1.9 4,-0.0 -1,-0.2 -0.244 117.9 76.4 76.6 -49.5 61.2 36.2 81.7 9 9 A I H > S+ 0 0 21 -2,-1.8 4,-2.2 -4,-0.4 5,-0.2 0.871 92.2 52.9 -62.8 -35.4 59.9 33.1 79.8 10 10 A E H X S+ 0 0 15 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.928 109.1 47.4 -66.9 -44.3 56.8 34.8 78.4 11 11 A A H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.903 111.5 54.4 -62.2 -38.9 58.8 37.8 77.0 12 12 A K H X S+ 0 0 97 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.940 112.5 39.9 -60.1 -50.6 61.2 35.3 75.4 13 13 A W H X S+ 0 0 20 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.848 109.4 60.5 -71.9 -31.4 58.5 33.2 73.6 14 14 A Q H X S+ 0 0 8 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.929 109.5 42.5 -61.4 -42.8 56.5 36.3 72.6 15 15 A R H X S+ 0 0 154 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.903 112.7 54.9 -69.6 -39.2 59.5 37.6 70.6 16 16 A F H X S+ 0 0 41 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.932 108.5 46.8 -57.6 -50.6 60.3 34.2 69.2 17 17 A W H X>S+ 0 0 2 -4,-2.8 5,-1.1 1,-0.2 4,-0.9 0.882 114.1 48.2 -62.0 -38.6 56.8 33.7 67.8 18 18 A E H ><5S+ 0 0 80 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.943 111.9 48.3 -68.1 -46.9 56.8 37.1 66.3 19 19 A E H 3<5S+ 0 0 143 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 111.7 50.4 -60.3 -39.4 60.3 36.7 64.7 20 20 A K H 3<5S- 0 0 116 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.708 98.9-141.9 -72.8 -21.4 59.3 33.3 63.3 21 21 A G T X<5 + 0 0 28 -4,-0.9 3,-2.0 -3,-0.6 -3,-0.2 0.817 40.5 159.4 63.4 32.4 56.1 34.8 61.8 22 22 A F T 3 - 0 0 31 -2,-0.2 2,-2.7 1,-0.2 3,-1.1 -0.193 40.7 -86.4 -56.5 151.9 47.3 27.0 49.5 31 31 A G T 3 S+ 0 0 96 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 -0.357 109.6 87.5 -65.1 75.4 45.0 24.1 48.7 32 32 A R T 3 S- 0 0 176 -2,-2.7 -1,-0.2 40,-0.0 2,-0.1 0.330 101.2 -81.9-143.8 -14.9 45.1 22.6 52.2 33 33 A G < - 0 0 32 -3,-1.1 39,-2.8 38,-0.1 2,-0.3 -0.106 39.9-132.2 116.6 143.6 42.3 24.5 53.9 34 34 A K E -a 72 0A 37 37,-0.2 2,-0.4 -5,-0.1 39,-0.2 -0.898 7.8-161.7-129.5 158.2 41.8 27.9 55.4 35 35 A Q E -a 73 0A 26 37,-2.2 39,-2.3 -2,-0.3 2,-0.8 -0.966 5.9-159.5-140.6 119.4 40.3 29.3 58.6 36 36 A Y E -a 74 0A 0 -2,-0.4 498,-1.9 495,-0.3 497,-1.1 -0.901 14.4-174.5-101.7 107.0 39.4 33.0 58.9 37 37 A V E -b 534 0B 1 37,-2.4 2,-0.4 -2,-0.8 498,-0.2 -0.921 8.8-179.4-107.6 112.5 39.3 33.7 62.7 38 38 A L E -b 535 0B 0 496,-2.6 498,-2.2 -2,-0.7 2,-0.4 -0.928 17.2-170.8-121.1 137.1 38.1 37.2 63.4 39 39 A V E -b 536 0B 0 37,-0.5 2,-0.4 -2,-0.4 498,-0.2 -0.909 44.5 -93.5-117.2 147.6 37.5 39.2 66.6 40 40 A M - 0 0 5 496,-2.0 498,-0.1 -2,-0.4 16,-0.0 -0.463 44.9-123.5 -63.0 117.0 35.8 42.6 66.6 41 41 A F - 0 0 0 -2,-0.4 38,-0.1 1,-0.1 -1,-0.1 -0.332 31.8-113.7 -64.4 142.0 38.5 45.2 66.4 42 42 A P - 0 0 5 0, 0.0 38,-2.1 0, 0.0 -1,-0.1 -0.321 12.1-114.7 -79.6 157.6 38.4 47.8 69.2 43 43 A Y - 0 0 25 36,-0.2 2,-2.2 -2,-0.1 3,-0.3 -0.784 29.5-133.9 -83.8 124.8 37.7 51.5 69.4 44 44 A P S S+ 0 0 3 0, 0.0 60,-0.2 0, 0.0 61,-0.2 -0.356 70.6 119.9 -81.0 61.3 41.0 53.1 70.5 45 45 A S S S- 0 0 29 -2,-2.2 2,-0.3 1,-0.1 56,-0.1 0.238 77.8 -19.5-107.4 9.3 39.2 55.2 73.0 46 46 A G S S- 0 0 20 -3,-0.3 2,-0.2 55,-0.1 -1,-0.1 -0.988 89.8 -41.2 172.9-173.9 41.0 53.9 76.1 47 47 A D - 0 0 88 -2,-0.3 2,-0.2 1,-0.1 593,-0.1 -0.486 55.2-119.7 -76.2 144.3 43.1 51.2 77.8 48 48 A L - 0 0 7 -2,-0.2 600,-0.7 3,-0.1 2,-0.2 -0.598 33.7-170.5 -82.2 146.1 42.2 47.6 77.1 49 49 A H B >> -D 647 0C 19 -2,-0.2 4,-2.3 598,-0.2 3,-0.5 -0.697 44.4 -80.5-127.0-178.9 41.2 45.5 80.1 50 50 A M H 3> S+ 0 0 0 596,-1.9 4,-1.1 1,-0.2 5,-0.1 0.676 125.0 64.7 -59.3 -16.6 40.6 41.8 80.8 51 51 A G H >> S+ 0 0 15 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.962 106.7 39.9 -69.3 -51.6 37.1 42.2 79.3 52 52 A H H <> S+ 0 0 59 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.921 113.3 57.5 -60.4 -43.6 38.6 43.0 75.9 53 53 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.733 97.5 59.5 -63.0 -23.7 41.2 40.3 76.5 54 54 A K H S+ 0 0 30 -4,-3.0 5,-1.8 1,-0.2 4,-0.4 0.874 112.2 52.5 -62.0 -36.9 43.7 25.8 63.7 67 67 A R H ><5S+ 0 0 62 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.911 107.5 52.1 -65.6 -40.6 47.3 26.8 62.7 68 68 A M H 3<5S+ 0 0 5 -4,-2.5 736,-0.6 1,-0.3 -1,-0.2 0.820 103.3 58.8 -64.6 -31.6 48.5 23.6 64.5 69 69 A Q T 3<5S- 0 0 58 -4,-1.6 -1,-0.3 734,-0.2 -2,-0.2 0.564 124.4-101.9 -74.8 -8.7 46.1 21.5 62.5 70 70 A G T < 5S+ 0 0 8 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.399 73.5 141.4 105.1 -2.7 47.6 22.7 59.3 71 71 A Y < - 0 0 69 -5,-1.8 2,-0.7 1,-0.1 -1,-0.3 -0.376 60.3-114.4 -71.9 150.5 45.1 25.3 58.2 72 72 A E E -a 34 0A 14 -39,-2.8 -37,-2.2 -42,-0.2 2,-0.5 -0.793 45.6-152.6 -81.5 118.0 46.2 28.5 56.5 73 73 A V E -a 35 0A 2 -2,-0.7 2,-0.6 -49,-0.2 -37,-0.2 -0.852 23.6-168.2-109.4 129.7 45.1 30.9 59.2 74 74 A L E +a 36 0A 0 -39,-2.3 -37,-2.4 -2,-0.5 -50,-0.1 -0.948 20.4 159.3-109.6 112.9 44.0 34.6 58.9 75 75 A H + 0 0 0 -2,-0.6 45,-1.3 -52,-0.4 2,-0.2 -0.816 20.1 176.9-137.1 88.0 43.8 36.1 62.4 76 76 A P - 0 0 0 0, 0.0 -37,-0.5 0, 0.0 2,-0.3 -0.555 18.9-161.3 -98.1 161.6 44.0 39.9 62.0 77 77 A M + 0 0 1 43,-0.3 48,-0.4 -2,-0.2 2,-0.3 -0.972 20.1 152.0-137.1 150.1 43.8 43.0 64.3 78 78 A G - 0 0 0 -2,-0.3 2,-0.5 46,-0.2 48,-0.2 -0.927 39.3 -90.4-162.2-175.7 43.2 46.6 63.5 79 79 A W B -e 126 0D 0 46,-3.1 2,-2.2 -2,-0.3 48,-2.0 -0.940 6.9-155.4-124.5 122.0 41.8 49.9 64.8 80 80 A D + 0 0 0 -38,-2.1 6,-0.2 -2,-0.5 46,-0.1 -0.577 42.2 157.0 -84.2 71.4 38.3 51.2 64.5 81 81 A A + 0 0 0 -2,-2.2 -1,-0.2 -38,-0.2 2,-0.2 0.419 35.3 76.8 -86.2 -3.2 39.9 54.7 64.9 82 82 A F S S+ 0 0 0 418,-0.1 4,-0.4 -3,-0.1 349,-0.2 -0.562 73.9 27.8-104.2 170.7 37.3 57.0 63.3 83 83 A G S > S- 0 0 6 347,-1.6 4,-2.0 -2,-0.2 5,-0.2 -0.232 103.9 -28.0 84.5-169.9 34.0 58.4 64.6 84 84 A L H > S+ 0 0 3 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.861 123.2 59.1 -53.8 -50.1 32.4 59.2 67.9 85 85 A P H > S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.951 113.9 35.7 -48.2 -60.5 34.2 56.7 70.1 86 86 A A H > S+ 0 0 0 -4,-0.4 4,-2.2 -6,-0.2 -2,-0.2 0.923 123.1 43.3 -61.0 -49.2 37.8 58.0 69.4 87 87 A E H X S+ 0 0 0 -4,-2.0 4,-2.6 343,-0.2 -1,-0.2 0.872 111.3 53.1 -68.5 -38.9 36.8 61.7 69.2 88 88 A N H X S+ 0 0 32 -4,-3.3 4,-1.4 -5,-0.2 -1,-0.2 0.893 113.2 44.9 -63.4 -39.3 34.5 61.7 72.2 89 89 A A H X S+ 0 0 11 -4,-1.7 4,-1.0 -5,-0.4 -2,-0.2 0.912 113.8 48.5 -70.3 -44.5 37.3 60.2 74.4 90 90 A A H ><>S+ 0 0 0 -4,-2.2 5,-3.2 1,-0.2 3,-0.5 0.914 113.2 48.0 -62.0 -44.3 40.0 62.5 73.0 91 91 A L H ><5S+ 0 0 36 -4,-2.6 3,-1.7 3,-0.2 -1,-0.2 0.784 99.3 66.5 -69.0 -29.1 37.9 65.6 73.5 92 92 A K H 3<5S+ 0 0 144 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 110.8 36.8 -61.3 -33.5 36.9 64.6 77.1 93 93 A F T <<5S- 0 0 101 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.062 118.3-110.3-105.3 23.2 40.5 65.1 78.1 94 94 A G T < 5S+ 0 0 51 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.806 71.8 142.4 53.7 34.4 41.1 68.1 75.8 95 95 A V < - 0 0 47 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.792 58.8-103.9-108.3 149.5 43.4 66.0 73.5 96 96 A H > - 0 0 19 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.491 29.4-129.3 -68.1 134.6 43.7 66.1 69.8 97 97 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.868 104.8 50.3 -53.1 -44.5 42.0 63.0 68.2 98 98 A K H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.911 114.8 42.7 -63.9 -43.0 45.0 62.0 66.0 99 99 A D H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.949 115.7 48.8 -66.7 -50.4 47.4 62.1 68.9 100 100 A W H X S+ 0 0 43 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.892 110.3 52.2 -55.9 -44.5 45.1 60.4 71.3 101 101 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.946 111.4 43.1 -60.5 -53.4 44.3 57.6 68.9 102 102 A Y H X S+ 0 0 82 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.810 112.7 52.6 -66.1 -30.8 47.8 56.6 68.0 103 103 A A H X S+ 0 0 46 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.886 112.3 47.0 -71.1 -36.2 48.9 56.8 71.7 104 104 A N H X S+ 0 0 9 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.876 109.7 53.1 -71.2 -37.4 46.0 54.5 72.5 105 105 A I H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 106.3 53.2 -62.5 -43.5 46.9 52.2 69.6 106 106 A R H X S+ 0 0 207 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.902 111.8 46.1 -58.4 -43.7 50.5 51.9 70.9 107 107 A Q H X S+ 0 0 83 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.900 109.9 52.6 -67.5 -42.2 49.2 50.9 74.3 108 108 A A H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.894 106.8 53.5 -61.8 -41.4 46.6 48.4 73.0 109 109 A K H X S+ 0 0 75 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.890 108.4 49.7 -60.4 -42.2 49.4 46.6 70.9 110 110 A E H X S+ 0 0 121 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.933 109.5 51.2 -63.8 -45.2 51.5 46.2 74.0 111 111 A S H X S+ 0 0 19 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.866 113.4 45.2 -59.0 -39.9 48.5 44.7 76.0 112 112 A L H ><>S+ 0 0 1 -4,-2.1 5,-1.9 2,-0.2 3,-0.9 0.925 114.7 47.2 -70.7 -45.5 47.8 42.2 73.2 113 113 A R H ><5S+ 0 0 85 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.872 107.7 56.7 -64.2 -37.0 51.5 41.3 72.8 114 114 A L H 3<5S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.649 102.8 55.6 -70.2 -15.5 52.0 40.9 76.6 115 115 A M T <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.354 118.5-110.2 -97.0 3.8 49.2 38.3 76.7 116 116 A G T < 5 + 0 0 0 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.695 64.9 154.4 77.2 17.4 50.8 36.2 74.1 117 117 A I < - 0 0 4 -5,-1.9 2,-0.5 1,-0.0 -1,-0.3 -0.654 28.3-155.6 -81.3 134.1 48.2 37.0 71.4 118 118 A L + 0 0 7 -2,-0.4 2,-0.3 -3,-0.1 -55,-0.0 -0.952 17.9 168.1-118.8 124.9 49.6 36.6 67.9 119 119 A Y - 0 0 3 -2,-0.5 2,-1.4 -45,-0.0 -96,-0.2 -0.788 47.8-104.6-124.1 166.7 48.1 38.4 64.8 120 120 A D > - 0 0 5 -45,-1.3 3,-2.1 -2,-0.3 -43,-0.3 -0.762 40.1-175.0 -91.6 87.1 49.4 38.9 61.2 121 121 A W G > S+ 0 0 53 -2,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.603 71.6 77.5 -62.5 -10.9 50.3 42.5 61.9 122 122 A D G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.653 94.6 51.0 -72.2 -13.1 51.2 43.0 58.2 123 123 A R G < S+ 0 0 10 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.248 80.5 140.5-106.7 11.5 47.5 43.2 57.6 124 124 A E < - 0 0 53 -3,-1.3 2,-0.4 -46,-0.1 -46,-0.2 -0.209 32.8-163.3 -55.4 139.9 46.9 45.9 60.3 125 125 A V - 0 0 8 -48,-0.4 -46,-3.1 7,-0.0 2,-0.5 -0.975 15.3-165.5-130.0 145.1 44.4 48.6 59.3 126 126 A T B > -e 79 0D 9 -2,-0.4 3,-2.0 -48,-0.2 6,-0.2 -0.931 10.6-156.9-130.6 104.1 43.8 52.0 60.9 127 127 A T T 3 S+ 0 0 0 -48,-2.0 6,-0.3 -2,-0.5 -47,-0.1 0.657 86.8 64.7 -57.3 -21.3 40.5 53.4 59.6 128 128 A C T 3 S+ 0 0 11 -49,-0.2 -1,-0.3 4,-0.1 303,-0.1 0.473 84.2 96.5 -84.1 0.4 41.4 57.1 60.3 129 129 A E S X> S- 0 0 63 -3,-2.0 4,-2.2 1,-0.1 3,-2.2 -0.678 80.6-127.8 -91.5 144.4 44.2 56.9 57.7 130 130 A P H 3> S+ 0 0 43 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.843 108.2 68.2 -55.9 -36.0 43.6 58.2 54.1 131 131 A E H 34 S+ 0 0 119 1,-0.2 -4,-0.1 2,-0.2 -3,-0.0 0.688 113.5 30.3 -58.7 -18.8 44.9 54.8 52.9 132 132 A Y H X> S+ 0 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4,-3.0 2,-0.2 5,-0.3 0.927 109.5 53.0 -66.9 -45.4 41.2 13.4 76.2 729 729 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.931 110.3 47.9 -56.2 -47.2 42.5 14.4 72.7 730 730 A K H X S+ 0 0 84 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.927 113.6 47.2 -60.2 -46.2 39.0 13.8 71.3 731 731 A K H X S+ 0 0 81 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.944 114.8 44.9 -61.8 -49.9 37.3 15.8 74.0 732 732 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.893 113.5 50.5 -62.7 -41.6 39.8 18.7 73.8 733 733 A T H X S+ 0 0 21 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.934 114.1 43.0 -64.1 -46.9 39.7 18.8 69.9 734 734 A E H X S+ 0 0 90 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.852 113.2 52.7 -68.8 -34.6 35.8 18.8 69.8 735 735 A D H <>S+ 0 0 0 -4,-2.3 5,-3.4 -5,-0.2 4,-0.3 0.903 108.5 50.6 -66.9 -40.3 35.6 21.4 72.5 736 736 A L H ><5S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.915 107.8 52.9 -63.4 -41.7 38.0 23.7 70.7 737 737 A E H 3<5S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.822 115.3 40.9 -63.8 -30.6 36.0 23.4 67.5 738 738 A A T 3<5S- 0 0 42 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.322 113.9-115.8 -98.9 6.9 32.8 24.4 69.4 739 739 A L T < 5 + 0 0 4 -3,-1.2 2,-0.9 -4,-0.3 -3,-0.2 0.862 66.3 145.6 60.0 36.9 34.5 27.1 71.5 740 740 A R >< + 0 0 107 -5,-3.4 4,-1.5 1,-0.2 3,-0.3 -0.526 15.4 158.2 -98.9 63.3 33.8 25.2 74.7 741 741 A F H > + 0 0 1 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.847 62.8 54.9 -58.7 -42.6 37.1 26.4 76.1 742 742 A N H > S+ 0 0 26 -74,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.901 110.6 45.9 -62.7 -39.4 36.4 26.0 79.8 743 743 A T H > S+ 0 0 42 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.804 107.8 57.2 -74.4 -26.5 35.5 22.3 79.4 744 744 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.909 109.0 46.8 -67.4 -39.4 38.6 21.7 77.2 745 745 A I H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.894 108.0 55.7 -67.7 -39.0 40.7 23.0 80.1 746 746 A A H X S+ 0 0 45 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.898 106.0 52.4 -59.7 -38.6 38.7 20.8 82.6 747 747 A A H X S+ 0 0 14 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.868 109.4 48.2 -65.3 -37.2 39.6 17.8 80.4 748 748 A L H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.867 110.7 51.0 -71.1 -35.6 43.3 18.7 80.6 749 749 A M H X S+ 0 0 39 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.920 112.3 48.0 -65.1 -43.2 43.0 19.1 84.4 750 750 A E H X S+ 0 0 128 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.911 112.6 46.7 -63.3 -45.1 41.4 15.7 84.5 751 751 A F H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.846 107.4 57.8 -68.9 -31.1 44.1 14.1 82.3 752 752 A L H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 3,-0.2 0.913 104.9 51.3 -63.4 -40.4 46.8 15.8 84.3 753 753 A N H X S+ 0 0 66 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.868 106.6 55.1 -61.9 -35.4 45.4 14.0 87.4 754 754 A A H X S+ 0 0 13 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.830 104.9 52.9 -66.6 -32.6 45.6 10.8 85.4 755 755 A L H X S+ 0 0 2 -4,-1.6 4,-2.2 -3,-0.2 -2,-0.2 0.907 109.9 47.4 -69.1 -42.0 49.3 11.4 84.8 756 756 A Y H X S+ 0 0 25 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.930 113.9 47.8 -63.6 -44.4 49.9 11.8 88.5 757 757 A E H >X S+ 0 0 96 -4,-2.5 3,-0.9 1,-0.2 4,-0.7 0.910 109.9 53.6 -61.6 -43.5 47.9 8.6 89.2 758 758 A Y H >X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 3,-1.3 0.930 104.9 53.7 -56.7 -48.8 49.8 6.8 86.5 759 759 A R H 3< S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.630 93.7 70.5 -66.3 -13.5 53.2 7.7 88.0 760 760 A K H << S+ 0 0 153 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.862 119.2 18.7 -69.1 -33.3 52.2 6.3 91.4 761 761 A D H << S+ 0 0 117 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.763 125.1 49.5-104.7 -35.8 52.4 2.8 89.9 762 762 A R S < S- 0 0 86 -4,-3.0 -1,-0.1 -5,-0.2 2,-0.1 -0.766 70.3-129.5-113.0 155.0 54.4 3.2 86.7 763 763 A P - 0 0 68 0, 0.0 2,-0.8 0, 0.0 5,-0.1 -0.244 54.0 -64.3 -87.5-178.4 57.8 4.7 85.8 764 764 A V S S+ 0 0 18 4,-0.1 3,-0.0 -2,-0.1 -5,-0.0 -0.592 71.1 175.2 -69.9 109.5 58.5 7.2 83.0 765 765 A T > - 0 0 13 -2,-0.8 4,-2.8 -60,-0.1 5,-0.2 -0.651 46.5-100.8-114.1 171.0 57.8 5.0 79.9 766 766 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.918 125.1 48.6 -57.3 -44.3 57.7 5.6 76.2 767 767 A V H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.891 111.3 51.0 -63.9 -37.4 53.9 5.8 76.2 768 768 A Y H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 108.2 51.4 -65.8 -41.9 54.1 8.3 79.2 769 769 A R H X S+ 0 0 37 -4,-2.8 4,-2.5 -63,-0.2 -2,-0.2 0.909 110.4 49.6 -61.7 -39.3 56.6 10.4 77.2 770 770 A T H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.877 108.2 53.3 -66.8 -36.6 54.2 10.5 74.3 771 771 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 109.7 48.1 -63.4 -43.4 51.4 11.5 76.7 772 772 A I H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.935 111.3 51.3 -61.6 -44.8 53.5 14.4 77.9 773 773 A R H X S+ 0 0 76 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.943 112.8 44.0 -56.3 -51.9 54.3 15.3 74.3 774 774 A Y H X S+ 0 0 48 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.855 109.9 58.2 -62.4 -35.9 50.6 15.3 73.4 775 775 A Y H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.920 105.2 48.1 -61.7 -45.3 49.7 17.2 76.6 776 776 A L H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.855 112.2 50.9 -65.5 -33.1 52.0 20.1 75.7 777 777 A Q H < S+ 0 0 5 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.933 112.4 44.9 -68.9 -45.2 50.5 20.2 72.2 778 778 A M H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.800 114.1 51.7 -67.8 -28.3 46.9 20.3 73.6 779 779 A L H >X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 3,-1.4 0.798 88.5 83.4 -77.1 -30.5 48.0 22.9 76.2 780 780 A F T 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 86.5 52.0 -45.1 -45.5 49.6 25.2 73.6 781 781 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -717,-0.1 0.841 120.1 35.3 -65.1 -27.4 46.4 27.0 72.5 782 782 A F T <4 S+ 0 0 0 -3,-1.4 -2,-0.2 -4,-0.3 -117,-0.1 0.920 136.6 12.9 -90.8 -53.5 45.5 27.8 76.2 783 783 A A S X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.1 -1,-0.2 -0.693 72.3 167.5-127.8 75.1 48.8 28.5 78.0 784 784 A P H > + 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.818 69.1 56.3 -59.8 -38.0 51.3 28.8 75.1 785 785 A H H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.953 112.5 39.7 -64.6 -50.6 54.3 30.3 77.0 786 786 A L H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.913 116.2 52.1 -64.5 -42.3 54.5 27.4 79.5 787 787 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.925 111.9 45.6 -60.5 -45.1 53.8 24.8 76.9 788 788 A E H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.901 112.2 52.8 -65.1 -40.6 56.6 26.2 74.6 789 789 A E H < S+ 0 0 34 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.956 114.4 39.5 -60.0 -52.9 59.0 26.4 77.6 790 790 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.5 0.869 109.8 61.5 -66.4 -36.9 58.5 22.8 78.7 791 791 A W H >X S+ 0 0 4 -4,-2.3 4,-2.7 -5,-0.3 3,-1.5 0.901 99.5 55.9 -56.0 -42.0 58.4 21.6 75.1 792 792 A H T 3< S+ 0 0 61 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.554 90.2 73.4 -71.1 -7.0 62.0 22.9 74.6 793 793 A W T <4 S+ 0 0 31 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.736 120.6 10.8 -74.9 -22.1 63.3 20.8 77.5 794 794 A F T <4 S+ 0 0 24 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.627 122.5 54.9-128.5 -26.2 62.9 17.7 75.3 795 795 A W < - 0 0 24 -4,-2.7 -1,-0.2 -5,-0.2 0, 0.0 -0.882 61.0-141.4-120.8 151.1 62.2 18.7 71.6 796 796 A P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.947 74.9 56.4 -71.8 -56.1 64.0 21.0 69.1 797 797 A D S S- 0 0 95 1,-0.1 2,-0.1 -6,-0.1 -2,-0.1 -0.033 89.1 -87.8 -76.6-179.8 61.3 22.8 67.1 798 798 A S >> - 0 0 1 1,-0.1 3,-1.6 -6,-0.0 4,-0.6 -0.469 34.0-113.7 -84.6 158.1 58.4 25.1 68.2 799 799 A L H >> S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.791 116.6 65.9 -62.6 -25.6 55.0 23.8 69.1 800 800 A F H 34 S+ 0 0 17 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.715 103.7 46.4 -66.6 -20.5 53.7 25.6 66.0 801 801 A E H <4 S+ 0 0 99 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.537 97.1 72.0 -99.2 -8.0 55.7 23.1 64.0 802 802 A A H << S- 0 0 33 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.1 0.684 89.1-147.7 -80.8 -19.2 54.7 20.0 65.8 803 803 A G < - 0 0 22 -4,-0.6 -734,-0.2 -3,-0.1 -1,-0.2 -0.310 33.4 -54.1 80.7-170.7 51.1 20.0 64.4 804 804 A W - 0 0 36 -736,-0.6 -30,-0.1 -737,-0.1 -26,-0.0 -0.911 64.3 -97.1-110.0 134.4 48.1 18.7 66.2 805 805 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.139 37.2-121.1 -50.1 138.1 48.1 15.1 67.7 806 806 A E - 0 0 165 1,-0.0 2,-0.2 -3,-0.0 -77,-0.1 -0.714 26.3-124.6 -86.8 127.6 46.4 12.5 65.5 807 807 A L - 0 0 49 -2,-0.5 2,-0.8 -78,-0.1 3,-0.1 -0.454 10.0-144.1 -74.2 141.9 43.5 10.7 67.2 808 808 A D > - 0 0 44 1,-0.2 3,-1.0 -2,-0.2 4,-0.4 -0.876 11.6-170.1-108.2 97.5 43.5 6.9 67.5 809 809 A E G >> S+ 0 0 121 -2,-0.8 3,-1.9 1,-0.3 4,-0.6 0.875 84.2 58.5 -53.8 -43.9 39.8 5.8 67.0 810 810 A K G >4 S+ 0 0 149 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.809 96.7 62.8 -59.3 -29.8 40.6 2.2 68.1 811 811 A A G <4 S+ 0 0 19 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.678 97.7 58.8 -69.2 -15.8 41.9 3.5 71.4 812 812 A L G <4 0 0 44 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.701 360.0 360.0 -85.7 -21.2 38.4 4.8 72.1 813 813 A E << 0 0 180 -3,-0.8 -3,-0.0 -4,-0.6 -90,-0.0 -0.392 360.0 360.0 -62.7 360.0 36.7 1.4 71.8 814 ! 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 0.0 815 1815 A L 0 0 23 0, 0.0 -277,-0.1 0, 0.0 -775,-0.1 0.000 360.0 360.0 360.0 360.0 33.7 48.1 67.8