==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHETASE 31-JAN-03 1OBH . COMPND 2 MOLECULE: LEUCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.CUSACK,A.YAREMCHUK,M.TUKALO . 764 8 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 52 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 4 2 2 3 1 0 2 2 2 0 1 1 2 0 1 0 2 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 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 . 5 5 2 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 7 1 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 0 141 0, 0.0 649,-0.0 0, 0.0 645,-0.0 0.000 360.0 360.0 360.0 130.3 38.8 21.7 -4.0 2 2 A E - 0 0 95 1,-0.1 2,-0.3 647,-0.1 647,-0.1 0.026 360.0-127.9 -67.1-179.6 40.0 25.1 -2.8 3 3 A K - 0 0 177 1,-0.0 -1,-0.1 646,-0.0 639,-0.1 -0.853 34.4 -69.7-131.3 166.2 43.6 26.1 -2.2 4 4 A Y - 0 0 13 -2,-0.3 638,-0.1 638,-0.2 -1,-0.0 -0.311 48.5-179.3 -56.1 129.4 45.8 27.5 0.5 5 5 A N - 0 0 83 1,-0.1 4,-0.5 2,-0.1 -1,-0.1 -0.870 17.0-169.8-139.5 104.2 44.9 31.2 1.2 6 6 A P > + 0 0 5 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.804 59.6 101.8 -59.8 -35.7 46.9 33.1 3.9 7 7 A H T 4 S+ 0 0 131 1,-0.2 2,-1.6 2,-0.2 -2,-0.1 -0.239 92.5 1.7 -56.6 137.5 44.5 36.1 3.7 8 8 A A T > S+ 0 0 60 1,-0.2 4,-2.0 4,-0.0 -1,-0.2 -0.330 118.6 72.4 81.1 -52.9 42.0 36.3 6.6 9 9 A I H > S+ 0 0 20 -2,-1.6 4,-2.3 -4,-0.5 5,-0.2 0.886 95.4 52.9 -62.9 -35.5 43.1 33.2 8.5 10 10 A E H X S+ 0 0 11 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.934 109.5 45.5 -66.2 -46.3 46.3 34.9 9.7 11 11 A A H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 112.1 56.2 -63.0 -35.6 44.6 38.0 11.2 12 12 A K H X S+ 0 0 98 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.944 112.7 38.1 -61.3 -49.8 42.1 35.6 12.8 13 13 A W H X S+ 0 0 20 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.852 109.4 61.4 -73.9 -32.7 44.7 33.5 14.6 14 14 A Q H X S+ 0 0 13 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.926 109.8 42.0 -58.5 -43.1 46.9 36.5 15.5 15 15 A R H X S+ 0 0 136 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.885 112.5 55.7 -71.0 -37.9 44.0 38.0 17.5 16 16 A F H X S+ 0 0 45 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.934 108.7 45.4 -59.4 -49.8 43.1 34.6 18.9 17 17 A W H X>S+ 0 0 2 -4,-2.9 5,-1.3 2,-0.2 4,-0.8 0.898 114.8 48.9 -62.9 -41.4 46.6 33.9 20.3 18 18 A E H ><5S+ 0 0 83 -4,-1.7 3,-1.3 -5,-0.3 -2,-0.2 0.969 112.2 46.2 -62.8 -54.3 46.8 37.5 21.8 19 19 A E H 3<5S+ 0 0 140 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 111.9 52.2 -58.0 -35.8 43.4 37.4 23.5 20 20 A K H 3<5S- 0 0 106 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.673 99.8-142.0 -74.9 -17.1 44.2 33.9 24.9 21 21 A G T X<5 + 0 0 30 -3,-1.3 3,-1.7 -4,-0.8 -3,-0.2 0.831 41.1 158.9 58.9 34.9 47.4 35.2 26.3 22 22 A F T 3 > -D 600 0C 17 551,-0.2 4,-2.3 -2,-0.2 3,-0.8 -0.668 39.3 -86.5-116.7 176.1 62.1 44.8 6.9 50 50 A M H 3> S+ 0 0 0 549,-1.9 4,-1.2 1,-0.3 5,-0.1 0.707 123.0 66.0 -56.4 -21.4 62.8 41.0 6.6 51 51 A G H 3> S+ 0 0 12 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.954 108.1 37.4 -65.6 -49.4 66.3 41.6 7.9 52 52 A H H X> S+ 0 0 62 -3,-0.8 4,-1.5 1,-0.2 3,-1.1 0.947 113.9 58.0 -65.2 -47.5 65.0 42.6 11.3 53 53 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 5,-0.3 0.711 91.1 69.9 -58.6 -21.9 62.2 40.0 11.1 54 54 A K H 3X S+ 0 0 3 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.3 0.949 104.4 42.0 -61.5 -43.7 64.7 37.2 10.7 55 55 A N H S+ 0 0 32 -4,-2.9 5,-1.8 1,-0.2 4,-0.5 0.873 112.0 54.1 -63.3 -36.1 59.5 25.8 24.3 67 67 A R H ><5S+ 0 0 62 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.940 106.9 50.5 -63.8 -45.2 56.0 26.8 25.2 68 68 A M H 3<5S+ 0 0 6 -4,-2.7 689,-0.7 1,-0.3 -1,-0.2 0.823 103.3 60.6 -62.0 -32.5 54.6 23.6 23.6 69 69 A Q H 3<5S- 0 0 58 -4,-1.6 -1,-0.3 687,-0.2 -2,-0.2 0.632 123.6-101.9 -70.3 -14.6 57.1 21.5 25.6 70 70 A G T <<5S+ 0 0 62 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.426 74.9 138.7 108.6 -0.5 55.6 22.7 28.8 71 71 A Y < - 0 0 75 -5,-1.8 2,-0.7 1,-0.1 -1,-0.3 -0.377 60.2-115.3 -74.9 155.8 58.2 25.3 29.8 72 72 A E E -a 34 0A 34 -39,-1.8 -37,-2.7 -2,-0.1 2,-0.4 -0.846 43.8-153.1 -88.5 121.6 57.2 28.7 31.3 73 73 A V E -a 35 0A 1 -2,-0.7 2,-0.6 -49,-0.2 -37,-0.2 -0.863 23.0-167.1-112.6 134.7 58.5 31.1 28.6 74 74 A L E +a 36 0A 0 -39,-2.7 -37,-2.5 -2,-0.4 -50,-0.1 -0.961 20.6 158.5-114.2 113.0 59.6 34.7 28.8 75 75 A H + 0 0 0 -2,-0.6 45,-1.4 -52,-0.4 2,-0.2 -0.847 20.2 177.2-136.7 90.5 59.8 36.2 25.3 76 76 A P - 0 0 0 0, 0.0 -37,-0.5 0, 0.0 2,-0.3 -0.667 17.6-158.3-103.0 157.5 59.7 40.1 25.6 77 77 A M + 0 0 2 43,-0.3 48,-0.5 -2,-0.2 2,-0.3 -0.954 21.5 150.2-130.4 149.2 59.9 43.0 23.2 78 78 A G - 0 0 0 -2,-0.3 2,-0.4 46,-0.2 48,-0.2 -0.888 37.4 -94.3-159.9-172.2 60.8 46.6 23.9 79 79 A W B -e 126 0D 0 46,-2.4 2,-2.2 -2,-0.3 48,-1.9 -0.969 4.5-148.8-132.4 128.5 62.3 49.7 22.4 80 80 A D + 0 0 2 -38,-2.5 46,-0.1 -2,-0.4 373,-0.0 -0.581 42.3 163.4 -83.7 73.1 65.8 51.2 22.4 81 81 A A + 0 0 5 -2,-2.2 5,-0.2 -38,-0.2 -1,-0.2 0.733 38.9 76.4 -72.5 -30.3 64.2 54.6 22.2 82 82 A F + 0 0 4 -3,-0.2 2,-0.2 371,-0.1 314,-0.2 -0.263 65.2 78.9 -76.2 172.3 66.9 57.1 23.2 83 83 A G S > S- 0 0 11 312,-1.6 4,-0.6 1,-0.1 3,-0.3 -0.607 88.8 -59.5 123.5 176.7 69.7 58.0 20.8 84 84 A L H >> S+ 0 0 68 -2,-0.2 4,-2.7 1,-0.2 3,-0.9 0.851 112.2 73.8 -67.4 -40.4 70.6 60.2 17.9 85 85 A P H 3> S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.886 99.8 45.6 -41.3 -52.6 68.1 58.8 15.3 86 86 A A H 3> S+ 0 0 2 -3,-0.3 4,-1.6 -5,-0.2 -2,-0.2 0.817 113.6 51.4 -63.7 -31.2 65.2 60.5 17.1 87 87 A E H X>S+ 0 0 6 -4,-1.9 4,-3.4 -5,-0.3 3,-0.6 0.919 105.6 52.3 -63.9 -44.7 64.5 63.2 12.7 90 90 A A H 3X5S+ 0 0 1 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.911 110.1 47.8 -58.0 -44.9 63.5 66.2 14.8 91 91 A L H 3<5S+ 0 0 113 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.677 119.1 42.7 -70.6 -17.0 66.0 68.4 12.9 92 92 A K H <<5S+ 0 0 161 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.2 0.912 128.5 21.7 -93.2 -57.2 64.7 67.0 9.7 93 93 A F H <5S- 0 0 131 -4,-3.4 -3,-0.2 2,-0.1 -2,-0.2 0.493 98.3-125.2 -90.8 -4.7 60.9 66.9 10.0 94 94 A G << + 0 0 48 -4,-1.4 2,-0.3 -5,-0.6 -4,-0.2 0.917 64.8 135.6 61.2 42.8 60.8 69.5 12.7 95 95 A V - 0 0 54 -6,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.910 65.5 -93.8-123.0 150.2 58.9 67.2 15.0 96 96 A H > - 0 0 56 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.372 31.6-130.7 -60.8 135.3 59.3 66.4 18.7 97 97 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.831 106.9 59.4 -57.7 -32.1 61.6 63.3 19.1 98 98 A K H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.900 107.3 44.3 -63.1 -43.0 59.0 61.8 21.5 99 99 A D H > S+ 0 0 84 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.899 112.0 51.3 -70.0 -42.5 56.2 61.9 18.8 100 100 A W H X S+ 0 0 59 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.884 112.1 49.2 -61.6 -38.8 58.4 60.5 16.1 101 101 A T H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.931 109.9 47.7 -67.4 -49.1 59.4 57.7 18.4 102 102 A Y H X S+ 0 0 89 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.784 111.5 52.0 -65.5 -26.9 55.9 56.7 19.5 103 103 A A H X S+ 0 0 48 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.926 110.3 47.5 -73.3 -46.2 54.7 56.7 15.9 104 104 A N H X S+ 0 0 10 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.837 108.6 56.4 -62.3 -33.5 57.6 54.4 14.8 105 105 A I H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.898 104.8 51.6 -65.3 -41.0 56.8 52.1 17.8 106 106 A R H X S+ 0 0 200 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.908 112.9 45.5 -62.7 -42.7 53.2 51.7 16.6 107 107 A Q H X S+ 0 0 92 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.946 113.3 47.5 -65.8 -50.7 54.4 50.8 13.1 108 108 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.888 110.3 54.5 -58.4 -39.6 57.1 48.3 14.2 109 109 A K H X S+ 0 0 70 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.904 108.3 48.0 -61.4 -43.2 54.6 46.8 16.6 110 110 A E H X S+ 0 0 89 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.903 109.6 53.5 -65.7 -40.7 52.1 46.1 13.8 111 111 A S H X S+ 0 0 1 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.912 111.1 46.3 -60.2 -43.0 54.9 44.6 11.6 112 112 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.9 0.931 113.0 49.0 -65.0 -46.2 55.8 42.2 14.4 113 113 A R H ><5S+ 0 0 91 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.878 107.0 55.8 -60.6 -40.8 52.1 41.3 15.0 114 114 A L H 3<5S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.663 100.9 58.2 -67.5 -19.4 51.5 40.7 11.3 115 115 A M T <<5S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.379 119.4-111.0 -90.3 3.2 54.3 38.2 11.1 116 116 A G T < 5 + 0 0 0 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.674 63.3 157.8 76.8 16.2 52.5 36.2 13.8 117 117 A I < - 0 0 6 -5,-1.8 2,-0.5 1,-0.0 -1,-0.3 -0.581 26.9-154.7 -75.1 134.7 55.2 37.0 16.4 118 118 A L + 0 0 8 -2,-0.3 2,-0.2 -3,-0.1 -55,-0.0 -0.949 19.8 165.3-118.9 118.9 53.9 36.6 20.0 119 119 A Y - 0 0 5 -2,-0.5 2,-1.2 -45,-0.0 -96,-0.2 -0.694 48.3-105.4-118.9 171.5 55.4 38.5 22.9 120 120 A D > - 0 0 6 -45,-1.4 3,-1.8 -2,-0.2 -43,-0.3 -0.804 39.6-175.1 -96.6 89.5 54.3 39.2 26.5 121 121 A W G > S+ 0 0 45 -2,-1.2 3,-1.6 1,-0.3 -1,-0.2 0.624 71.6 76.5 -64.9 -12.5 53.4 42.8 25.8 122 122 A D G 3 S+ 0 0 91 1,-0.3 -1,-0.3 -3,-0.1 -98,-0.0 0.780 94.1 53.9 -66.8 -23.7 52.7 43.5 29.4 123 123 A R G < S+ 0 0 12 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.198 80.5 141.3 -95.0 16.2 56.4 43.5 29.9 124 124 A E < - 0 0 54 -3,-1.6 2,-0.4 -46,-0.1 -46,-0.2 -0.254 32.2-164.0 -59.1 142.4 57.0 46.1 27.2 125 125 A V - 0 0 8 -48,-0.5 -46,-2.4 7,-0.0 2,-0.5 -0.986 14.5-166.6-131.6 143.9 59.7 48.7 28.0 126 126 A T B > -e 79 0D 9 -2,-0.4 3,-1.9 -48,-0.2 6,-0.2 -0.948 10.8-157.1-130.4 106.2 60.3 52.1 26.3 127 127 A T T 3 S+ 0 0 0 -48,-1.9 6,-0.3 -2,-0.5 5,-0.1 0.735 87.7 63.5 -58.1 -28.9 63.7 53.4 27.3 128 128 A C T 3 S+ 0 0 11 -49,-0.2 -1,-0.3 4,-0.1 268,-0.1 0.501 85.1 99.6 -77.2 -0.6 63.0 57.1 26.6 129 129 A E S X> S- 0 0 54 -3,-1.9 3,-2.7 1,-0.1 4,-2.3 -0.701 78.0-132.5 -89.9 136.9 60.3 57.0 29.3 130 130 A P H 3> S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.823 106.2 69.5 -52.7 -34.8 61.1 58.4 32.8 131 131 A E H 34 S+ 0 0 122 1,-0.2 -4,-0.1 2,-0.2 -3,-0.1 0.692 113.2 29.3 -59.5 -17.7 59.6 55.2 34.2 132 132 A Y H X4 S+ 0 0 7 -3,-2.7 3,-1.7 -6,-0.2 4,-0.5 0.802 116.6 51.1-109.0 -50.0 62.7 53.5 32.8 133 133 A Y H 3X S+ 0 0 7 -4,-2.3 4,-1.6 -6,-0.3 -2,-0.2 0.581 94.6 74.3 -70.7 -4.3 65.5 55.9 32.7 134 134 A R H 3X S+ 0 0 59 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.3 0.818 97.6 50.7 -71.9 -28.7 65.0 56.8 36.4 135 135 A W H <> S+ 0 0 6 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.658 101.9 58.9 -81.9 -17.4 66.5 53.4 37.0 136 136 A N H > S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.904 109.6 44.9 -73.5 -42.2 69.5 54.2 34.8 137 137 A Q H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.894 111.0 54.2 -66.2 -40.9 70.2 57.1 37.1 138 138 A W H X S+ 0 0 14 -4,-1.7 4,-2.0 1,-0.2 3,-0.4 0.959 110.9 44.4 -57.4 -53.4 69.6 54.9 40.1 139 139 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.878 109.7 57.6 -59.5 -38.8 72.2 52.4 38.9 140 140 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.857 106.3 49.0 -61.2 -36.2 74.5 55.2 38.1 141 141 A L H X S+ 0 0 5 -4,-1.9 4,-3.0 -3,-0.4 -1,-0.2 0.913 107.5 54.1 -70.1 -42.5 74.4 56.4 41.7 142 142 A K H X S+ 0 0 44 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.833 109.2 49.2 -60.7 -32.4 75.1 52.9 43.0 143 143 A M H <>S+ 0 0 0 -4,-1.7 5,-3.4 2,-0.2 6,-0.8 0.884 110.3 50.2 -73.7 -38.3 78.2 52.8 40.8 144 144 A W H ><5S+ 0 0 80 -4,-1.7 3,-1.6 4,-0.3 -2,-0.2 0.932 109.0 52.6 -61.7 -45.8 79.3 56.2 42.1 145 145 A E H 3<5S+ 0 0 109 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.676 111.9 46.5 -63.5 -20.4 78.8 55.0 45.6 146 146 A K T 3<5S- 0 0 131 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.240 118.1-107.5-108.0 12.5 81.0 52.0 44.9 147 147 A G T < 5S+ 0 0 36 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.705 90.9 113.3 71.1 20.9 83.8 53.9 43.2 148 148 A L < + 0 0 13 -5,-3.4 12,-2.9 -6,-0.2 2,-0.4 0.485 67.0 58.2-101.1 -5.0 82.8 52.7 39.7 149 149 A A E +F 159 0E 6 -6,-0.8 2,-0.3 10,-0.2 10,-0.2 -0.990 65.6 154.7-129.3 125.3 81.7 56.0 38.3 150 150 A Y E -F 158 0E 57 8,-2.1 8,-2.9 -2,-0.4 2,-0.4 -0.935 38.1-116.8-144.9 167.3 84.0 59.1 38.2 151 151 A R E +F 157 0E 100 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.869 34.0 176.0-107.6 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117.6-111.3 -72.2 -1.3 69.2 50.0 -21.6 581 628 A G S < S+ 0 0 72 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.491 85.7 98.9 85.0 3.5 71.4 47.8 -23.8 582 629 A T S S- 0 0 56 -6,-0.1 -4,-2.4 -42,-0.0 2,-0.3 -0.777 75.4-105.4-120.5 165.0 74.3 47.7 -21.2 583 630 A L E -WX 539 577M 62 -44,-0.6 -44,-2.4 -2,-0.3 2,-0.3 -0.695 30.5-160.5 -90.5 141.3 75.4 45.3 -18.5 584 631 A H E -WX 538 576M 15 -8,-2.1 -8,-3.0 -2,-0.3 2,-0.6 -0.899 18.7-122.9-118.8 149.7 74.8 46.1 -14.9 585 632 A L E - X 0 575M 0 -48,-2.6 -49,-2.8 -2,-0.3 -48,-0.5 -0.843 31.4-174.0 -95.9 120.0 76.6 44.6 -11.9 586 633 A W E +WX 535 574M 50 -12,-3.0 -12,-2.3 -2,-0.6 -51,-0.2 -0.858 9.0 163.6-111.7 149.1 74.3 42.9 -9.4 587 634 A K E -W 534 0M 49 -53,-2.0 -53,-2.2 -2,-0.3 2,-0.3 -0.974 44.8 -97.3-163.7 145.5 75.2 41.5 -6.1 588 635 A P E -W 533 0M 22 0, 0.0 2,-0.4 0, 0.0 -55,-0.3 -0.528 49.4-175.5 -66.9 126.7 73.6 40.4 -2.8 589 636 A A E -W 532 0M 6 -57,-2.4 -57,-1.4 -2,-0.3 3,-0.1 -0.965 36.1 -83.8-128.4 145.4 73.8 43.3 -0.4 590 637 A V E -W 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57 -2,-0.8 4,-2.1 -551,-0.2 -551,-0.2 -0.451 2.7-139.7 -71.7 135.4 59.1 45.7 4.1 601 648 A V H > S+ 0 0 0 -553,-1.9 4,-3.1 -2,-0.2 5,-0.4 0.939 95.8 53.9 -58.3 -55.1 56.9 43.5 6.3 602 649 A G H > S+ 0 0 20 -554,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.928 114.4 39.6 -47.6 -59.3 53.6 45.3 6.0 603 650 A P H > S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.933 117.6 48.9 -59.5 -48.6 53.5 45.3 2.2 604 651 A F H X S+ 0 0 17 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.938 111.4 47.4 -59.8 -49.6 54.9 41.8 1.8 605 652 A V H < S+ 0 0 16 -4,-3.1 -1,-0.2 1,-0.2 5,-0.2 0.863 112.1 52.3 -60.9 -34.2 52.6 40.2 4.3 606 653 A K H < S+ 0 0 187 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.884 118.5 35.1 -69.4 -38.6 49.6 42.0 2.7 607 654 A E H < S+ 0 0 150 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.777 141.7 4.7 -85.8 -29.9 50.5 40.8 -0.8 608 655 A Q S < S- 0 0 32 -4,-3.3 2,-0.3 -5,-0.3 -3,-0.2 0.564 99.3 -98.2-117.3 -90.6 51.8 37.3 0.2 609 656 A G > - 0 0 0 -5,-0.3 4,-1.7 1,-0.1 -3,-0.1 -0.904 15.8-102.7 170.1 163.4 51.6 36.2 3.8 610 657 A A H > S+ 0 0 0 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.957 116.6 47.1 -68.3 -55.1 53.2 35.8 7.2 611 658 A D H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.868 110.9 54.6 -57.9 -35.5 53.8 32.0 7.1 612 659 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 110.9 44.3 -63.2 -45.6 55.2 32.5 3.6 613 660 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.937 113.3 51.6 -63.3 -46.4 57.7 35.1 4.9 614 661 A R H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.936 112.6 44.3 -57.2 -49.3 58.6 33.0 7.9 615 662 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.903 110.4 55.8 -64.2 -39.6 59.3 29.8 5.8 616 663 A T H X S+ 0 0 8 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.926 115.8 37.9 -57.5 -45.8 61.3 31.9 3.3 617 664 A I H X S+ 0 0 2 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.954 117.3 48.4 -69.8 -52.4 63.5 33.2 6.1 618 665 A L H < S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.2 80,-0.2 0.747 116.4 40.6 -62.6 -29.6 63.8 30.0 8.2 619 666 A F H < S+ 0 0 88 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.610 90.6 88.5 -96.2 -14.4 64.6 27.6 5.3 620 667 A A H < S- 0 0 48 -4,-0.8 -2,-0.1 -3,-0.4 -1,-0.1 0.854 104.6 -43.5 -54.1 -41.5 67.0 29.8 3.4 621 668 A A S < S- 0 0 21 -4,-0.5 74,-0.2 -3,-0.1 -1,-0.1 -0.973 82.6 -47.7-175.9 174.7 70.1 28.7 5.3 622 669 A P > - 0 0 38 0, 0.0 3,-1.1 0, 0.0 -94,-0.2 -0.319 56.9-120.2 -57.4 145.2 71.6 28.0 8.7 623 670 A P T 3 S+ 0 0 0 0, 0.0 -95,-2.8 0, 0.0 70,-0.1 0.851 112.4 53.8 -57.7 -37.0 70.6 30.9 11.1 624 671 A E T 3 S+ 0 0 106 -97,-0.3 2,-0.2 2,-0.1 -95,-0.1 0.706 100.6 78.7 -72.4 -17.8 74.2 31.7 11.9 625 672 A N S < S- 0 0 82 -3,-1.1 -97,-0.6 -97,-0.2 2,-0.1 -0.498 91.0-104.8 -88.2 159.4 74.9 32.1 8.1 626 673 A E - 0 0 131 -2,-0.2 2,-0.3 -98,-0.1 -96,-0.2 -0.430 40.3-162.5 -74.9 157.6 74.0 35.0 5.9 627 674 A M E -v 530 0M 6 -98,-2.2 -96,-3.6 -2,-0.1 2,-0.5 -0.965 15.2-131.2-140.5 157.7 71.1 34.4 3.6 628 675 A V E -v 531 0M 45 -2,-0.3 2,-0.6 -98,-0.2 -96,-0.2 -0.953 18.1-136.1-113.6 124.0 69.7 36.0 0.5 629 676 A W E +v 532 0M 19 -98,-3.0 -96,-0.5 -2,-0.5 2,-0.3 -0.680 38.0 171.7 -77.1 121.8 66.0 36.9 0.4 630 677 A T > - 0 0 42 -2,-0.6 4,-1.9 -98,-0.1 3,-0.3 -0.934 49.9-124.5-133.9 157.1 64.8 35.8 -3.1 631 678 A E H > S+ 0 0 112 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.800 114.7 61.7 -65.7 -26.7 61.6 35.5 -5.0 632 679 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 104.1 46.9 -65.7 -38.5 62.7 31.9 -5.6 633 680 A G H > S+ 0 0 26 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.887 110.3 53.0 -70.2 -39.7 62.6 31.3 -1.8 634 681 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.935 111.1 45.6 -61.1 -46.4 59.2 33.0 -1.6 635 682 A Q H X S+ 0 0 81 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.858 110.4 54.5 -66.3 -34.1 57.8 30.7 -4.3 636 683 A G H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.885 108.5 49.1 -65.4 -37.2 59.4 27.7 -2.6 637 684 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.930 110.9 49.7 -66.6 -45.2 57.6 28.7 0.6 638 685 A W H X S+ 0 0 51 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.936 110.5 51.2 -56.3 -48.5 54.3 29.0 -1.2 639 686 A R H X S+ 0 0 114 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.900 110.9 47.1 -58.0 -45.0 54.9 25.6 -2.8 640 687 A F H X S+ 0 0 10 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