==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-AUG-12 4GIU . COMPND 2 MOLECULE: ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.L.EVANS,E.N.BAKER,J.S.LOTT,TB STRUCTURAL GENOMICS CONSORTI . 691 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.3 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 2 1 2 5 4 2 0 6 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 6 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 0 0 0 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 . 0 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 24 A V 0 0 125 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.5 0.2 -25.2 4.0 2 25 A P + 0 0 58 0, 0.0 2,-0.3 0, 0.0 19,-0.0 -0.247 360.0 167.3 -65.1 148.9 2.0 -25.0 7.4 3 26 A S > - 0 0 46 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.966 47.4-108.2-150.8 160.3 5.3 -26.6 7.9 4 27 A W H > S+ 0 0 16 -2,-0.3 4,-3.3 1,-0.2 5,-0.4 0.934 118.7 51.8 -59.1 -43.9 8.0 -26.5 10.5 5 28 A P H > S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.900 110.1 49.4 -62.1 -35.6 10.4 -24.6 8.2 6 29 A Q H > S+ 0 0 84 2,-0.2 4,-1.8 3,-0.2 -2,-0.2 0.943 118.3 38.2 -64.7 -46.4 7.7 -22.0 7.4 7 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.925 118.8 46.0 -73.3 -44.0 6.8 -21.4 11.1 8 31 A L H X S+ 0 0 2 -4,-3.3 4,-2.6 -5,-0.2 5,-0.2 0.877 113.0 52.5 -68.1 -34.5 10.4 -21.6 12.5 9 32 A G H X S+ 0 0 15 -4,-2.0 4,-1.0 -5,-0.4 -1,-0.2 0.901 108.7 49.6 -65.8 -41.3 11.6 -19.3 9.7 10 33 A R H <>S+ 0 0 59 -4,-1.8 5,-1.9 -5,-0.2 -2,-0.2 0.918 113.9 45.2 -64.1 -44.1 8.9 -16.8 10.5 11 34 A L H ><5S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.917 109.6 52.6 -65.8 -45.1 9.8 -16.8 14.2 12 35 A T H 3<5S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.708 103.4 60.9 -69.0 -16.1 13.6 -16.6 13.7 13 36 A D T 3<5S- 0 0 110 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.283 120.0-114.5 -84.6 8.8 12.9 -13.6 11.5 14 37 A N T < 5S+ 0 0 105 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.847 70.1 140.3 58.4 38.2 11.3 -11.9 14.6 15 38 A R < - 0 0 125 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.892 57.3-114.4-110.8 142.1 7.9 -11.9 13.0 16 39 A D - 0 0 91 -2,-0.4 2,-0.0 -3,-0.1 30,-0.0 -0.416 44.0-106.5 -62.2 146.8 4.5 -12.6 14.7 17 40 A L - 0 0 18 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.335 30.3-105.2 -72.9 158.0 2.9 -15.8 13.4 18 41 A A >> - 0 0 36 1,-0.1 3,-1.9 -2,-0.0 4,-0.5 -0.503 55.7 -78.1 -72.0 155.6 -0.1 -15.8 11.0 19 42 A R T 34 S+ 0 0 218 1,-0.2 -1,-0.1 -2,-0.1 36,-0.0 -0.264 119.8 20.3 -54.2 135.6 -3.4 -16.8 12.7 20 43 A G T 3> S+ 0 0 36 -3,-0.1 4,-2.4 1,-0.0 -1,-0.2 0.113 96.5 99.0 92.8 -22.6 -3.6 -20.6 13.1 21 44 A Q H <> S+ 0 0 13 -3,-1.9 4,-2.7 2,-0.2 5,-0.2 0.926 83.1 46.6 -69.2 -46.9 0.2 -21.2 12.8 22 45 A A H X S+ 0 0 0 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.924 114.2 50.7 -57.7 -42.5 0.8 -21.5 16.6 23 46 A A H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.906 108.8 50.8 -62.0 -42.0 -2.2 -23.8 16.8 24 47 A W H X S+ 0 0 58 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.948 111.8 48.1 -60.1 -48.1 -0.9 -25.9 13.9 25 48 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.932 112.5 47.4 -57.2 -49.2 2.5 -26.2 15.7 26 49 A M H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.893 110.5 52.6 -64.4 -36.7 0.9 -27.1 19.0 27 50 A D H X S+ 0 0 57 -4,-2.6 4,-1.4 2,-0.2 6,-0.3 0.899 106.9 52.4 -67.1 -36.9 -1.3 -29.7 17.4 28 51 A Q H <>S+ 0 0 42 -4,-2.2 5,-1.9 1,-0.2 6,-0.7 0.912 112.1 47.3 -61.3 -42.1 1.7 -31.3 15.7 29 52 A I H ><5S+ 0 0 0 -4,-2.1 3,-1.4 4,-0.2 5,-0.3 0.941 111.3 49.4 -63.0 -46.7 3.3 -31.5 19.1 30 53 A M H 3<5S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.691 107.3 54.4 -70.8 -21.0 0.3 -32.9 20.9 31 54 A T T 3<5S- 0 0 60 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.391 115.8-110.8 -94.1 3.7 -0.3 -35.7 18.4 32 55 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 130,-0.2 -2,-0.1 0.634 86.7 118.6 78.9 15.4 3.2 -37.0 18.7 33 56 A N < + 0 0 105 -5,-1.9 2,-0.4 -6,-0.3 -4,-0.2 0.455 47.6 88.9 -93.6 -3.9 4.1 -35.8 15.2 34 57 A A S S- 0 0 15 -6,-0.7 -9,-0.0 -5,-0.3 3,-0.0 -0.777 74.2-124.3-100.8 141.5 6.9 -33.4 16.0 35 58 A R >> - 0 0 133 -2,-0.4 4,-2.3 484,-0.1 3,-0.8 -0.526 28.6-114.4 -73.1 147.5 10.6 -34.2 16.4 36 59 A P H 3> S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.873 119.1 55.7 -49.0 -40.9 12.2 -33.2 19.7 37 60 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.841 107.5 47.7 -60.7 -38.7 14.3 -30.7 17.7 38 61 A Q H <> S+ 0 0 25 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.886 111.0 50.7 -71.5 -39.2 11.2 -29.1 16.3 39 62 A I H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.947 114.7 44.0 -60.0 -47.5 9.5 -28.9 19.7 40 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.894 113.2 50.2 -66.8 -43.0 12.7 -27.3 21.2 41 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.884 112.9 47.0 -62.9 -40.4 13.2 -24.9 18.2 42 65 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.937 111.9 50.0 -68.0 -46.2 9.6 -23.7 18.4 43 66 A A H X S+ 0 0 2 -4,-2.6 4,-1.7 -5,-0.2 135,-0.7 0.937 117.1 40.5 -57.3 -47.6 9.7 -23.3 22.2 44 67 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.922 115.3 49.3 -70.8 -45.9 12.9 -21.2 22.0 45 68 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.914 111.6 49.1 -61.8 -44.3 12.0 -19.2 18.9 46 69 A M H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.918 111.1 51.7 -60.0 -43.2 8.6 -18.2 20.2 47 70 A T H < S+ 0 0 31 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.921 113.8 41.5 -59.9 -45.5 10.2 -17.2 23.5 48 71 A M H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.806 110.2 56.0 -79.9 -27.4 12.8 -14.9 21.9 49 72 A K H < S- 0 0 20 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.847 117.7-113.7 -63.2 -31.3 10.5 -13.4 19.4 50 73 A A < - 0 0 61 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.728 30.8-117.6 85.5 101.4 8.2 -12.4 22.3 51 74 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -35,-0.1 -0.315 23.3-136.4 -69.1 148.5 4.9 -14.3 22.1 52 75 A T > - 0 0 39 1,-0.1 4,-2.6 154,-0.0 5,-0.3 -0.616 23.7-111.1 -98.0 164.0 1.6 -12.4 21.7 53 76 A A H > S+ 0 0 31 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.876 120.3 55.4 -60.4 -38.7 -1.6 -13.1 23.5 54 77 A D H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 110.9 45.6 -56.2 -47.1 -3.1 -14.4 20.3 55 78 A E H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.931 113.5 45.9 -64.5 -49.0 -0.3 -16.9 20.0 56 79 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.904 110.8 55.6 -63.9 -36.5 -0.3 -18.1 23.6 57 80 A G H X S+ 0 0 22 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.861 105.8 51.7 -62.9 -36.5 -4.1 -18.4 23.3 58 81 A E H X S+ 0 0 38 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.915 110.0 48.7 -65.1 -42.8 -3.7 -20.7 20.3 59 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.939 114.8 43.8 -62.0 -48.0 -1.3 -22.9 22.2 60 83 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.885 110.4 57.2 -67.2 -37.0 -3.5 -23.2 25.2 61 84 A G H X S+ 0 0 31 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.893 106.4 48.6 -58.5 -43.2 -6.6 -23.7 23.0 62 85 A V H X S+ 0 0 16 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.919 109.7 51.9 -65.9 -43.5 -5.0 -26.7 21.3 63 86 A M H X S+ 0 0 3 -4,-2.0 4,-1.0 1,-0.2 3,-0.4 0.935 109.3 50.1 -57.1 -44.5 -4.1 -28.2 24.7 64 87 A L H < S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.827 105.8 57.0 -65.8 -29.3 -7.7 -27.8 25.9 65 88 A S H < S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.5 39.9 -66.3 -34.2 -8.9 -29.5 22.7 66 89 A H H < S+ 0 0 61 -4,-1.6 -1,-0.2 -3,-0.4 96,-0.2 0.516 97.6 102.3 -92.6 -9.3 -6.8 -32.5 23.5 67 90 A A S < S- 0 0 12 -4,-1.0 93,-0.2 -3,-0.2 92,-0.1 -0.374 82.9-103.7 -75.3 153.7 -7.5 -32.5 27.3 68 91 A H - 0 0 78 91,-1.9 2,-0.2 90,-0.1 -1,-0.1 -0.656 45.0-143.8 -68.6 125.4 -9.9 -34.9 29.0 69 92 A P - 0 0 92 0, 0.0 120,-0.2 0, 0.0 3,-0.1 -0.509 13.6-107.4 -88.9 162.4 -12.9 -32.6 29.8 70 93 A L - 0 0 18 118,-0.6 3,-0.1 -2,-0.2 70,-0.1 -0.543 52.6 -85.2 -77.9 156.2 -15.1 -32.8 32.9 71 94 A P > - 0 0 42 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.187 60.3 -78.0 -59.8 156.7 -18.6 -34.3 32.3 72 95 A A T 3 S+ 0 0 84 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.202 111.4 5.8 -55.7 142.2 -21.4 -31.9 31.0 73 96 A D T 3 S+ 0 0 170 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.830 96.6 110.1 52.8 40.6 -23.0 -29.6 33.5 74 97 A T < + 0 0 44 -3,-0.9 -2,-0.1 1,-0.1 -1,-0.1 0.510 58.6 72.7-117.2 -11.8 -20.7 -30.6 36.4 75 98 A V S S- 0 0 41 -4,-0.2 -1,-0.1 -5,-0.1 -2,-0.1 -0.930 84.1-124.3-106.7 120.9 -18.7 -27.3 36.8 76 99 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.316 21.5-118.8 -59.5 145.9 -20.5 -24.4 38.3 77 100 A D T 3 S+ 0 0 72 1,-0.3 115,-0.3 114,-0.1 -2,-0.0 0.697 113.7 47.3 -59.1 -21.1 -20.5 -21.2 36.2 78 101 A D T 3 S+ 0 0 56 113,-0.1 -1,-0.3 114,-0.1 229,-0.1 0.073 78.5 139.5-112.2 22.3 -18.7 -19.4 38.9 79 102 A A < - 0 0 0 -3,-1.9 114,-1.1 110,-0.1 113,-0.6 -0.365 37.2-150.6 -65.5 148.9 -15.9 -21.9 39.7 80 103 A V E -ab 110 193A 0 29,-2.5 31,-2.1 112,-0.1 2,-0.3 -0.886 8.0-147.1-124.2 152.8 -12.5 -20.5 40.4 81 104 A D E - b 0 194A 4 112,-1.6 114,-2.2 -2,-0.3 2,-0.4 -0.830 4.0-166.5-109.6 150.9 -8.9 -21.6 39.9 82 105 A V E + b 0 195A 0 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.879 40.3 120.7-135.4 104.9 -5.9 -20.7 42.2 83 106 A V E - b 0 196A 14 112,-1.7 114,-1.9 -2,-0.4 2,-0.3 -0.985 38.3-154.1-162.9 152.5 -2.7 -21.7 40.4 84 107 A G E - b 0 197A 16 -2,-0.3 114,-0.2 112,-0.3 3,-0.1 -0.806 33.3-109.5-127.8 172.4 0.6 -20.2 39.2 85 108 A T - 0 0 23 112,-1.5 113,-0.1 -2,-0.3 98,-0.1 0.702 50.1-150.3 -67.2 -22.6 3.3 -20.9 36.6 86 109 A G + 0 0 28 142,-0.2 113,-0.5 1,-0.1 -1,-0.2 -0.329 59.7 109.5 67.1-167.7 5.7 -21.8 39.2 87 110 A G + 0 0 45 -3,-0.1 -1,-0.1 111,-0.1 93,-0.0 0.675 33.6 127.0 78.4 18.5 9.4 -21.1 38.4 88 111 A D - 0 0 32 112,-0.0 -1,-0.1 1,-0.0 -2,-0.0 0.587 63.3-140.1 -83.6 -7.6 9.9 -18.2 40.8 89 112 A G S S+ 0 0 68 1,-0.1 138,-0.1 3,-0.0 -1,-0.0 0.649 74.3 104.5 62.7 18.7 13.0 -20.0 42.2 90 113 A V S S- 0 0 44 136,-0.1 178,-0.2 2,-0.0 -1,-0.1 0.681 72.0-141.7-102.8 -23.1 12.1 -19.0 45.8 91 114 A N + 0 0 39 176,-0.1 177,-2.8 1,-0.1 2,-0.1 0.993 34.2 173.1 57.1 70.3 10.8 -22.3 47.1 92 115 A T B -G 267 0B 15 175,-0.3 175,-0.2 1,-0.2 30,-0.2 -0.462 40.7 -81.7 -95.9 171.7 7.9 -21.1 49.3 93 116 A V - 0 0 6 173,-2.3 2,-1.8 175,-0.2 -1,-0.2 -0.234 66.7 -83.6 -58.1 167.0 5.2 -22.9 51.3 94 117 A N > + 0 0 17 1,-0.2 4,-2.4 180,-0.2 5,-0.2 -0.521 59.5 167.2 -87.8 81.0 2.3 -23.8 49.0 95 118 A L H > S+ 0 0 0 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.867 71.6 49.0 -65.7 -40.8 0.4 -20.6 49.0 96 119 A S H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.925 113.5 47.5 -64.5 -44.7 -2.0 -21.3 46.0 97 120 A T H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.917 114.1 46.2 -63.2 -45.6 -2.9 -24.7 47.4 98 121 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.939 113.2 50.3 -62.1 -46.1 -3.5 -23.3 50.9 99 122 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.913 106.7 55.8 -56.4 -44.6 -5.5 -20.4 49.5 100 123 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.879 106.7 49.2 -57.4 -42.0 -7.6 -22.8 47.4 101 124 A I H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.933 113.8 46.3 -64.8 -43.5 -8.7 -24.8 50.5 102 125 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.908 112.0 51.1 -64.8 -42.7 -9.6 -21.6 52.3 103 126 A V H <>S+ 0 0 0 -4,-3.1 5,-1.9 2,-0.2 4,-0.4 0.926 111.2 47.4 -60.2 -47.2 -11.5 -20.3 49.3 104 127 A A H ><5S+ 0 0 7 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.898 109.8 53.5 -60.3 -42.9 -13.5 -23.5 48.9 105 128 A A H 3<5S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 101.6 60.1 -64.2 -27.2 -14.3 -23.5 52.7 106 129 A A T 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.578 127.6 -99.8 -75.9 -9.2 -15.6 -19.9 52.2 107 130 A G T < 5S+ 0 0 56 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.460 82.1 129.4 105.5 2.2 -18.2 -21.4 49.8 108 131 A V < - 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0 0 50 -3,-1.1 2,-0.4 -6,-0.3 -9,-0.0 -0.272 54.1-149.0 -63.8 142.6 -18.6 -5.7 42.1 312 335 A E > - 0 0 55 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.924 14.6-123.4-120.2 146.3 -16.3 -2.9 43.3 313 336 A W H > S+ 0 0 75 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.872 101.4 37.3 -56.1 -59.8 -12.5 -3.2 44.2 314 337 A L H > S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.951 119.7 45.8 -66.6 -50.3 -12.2 -2.1 47.8 315 338 A P H > S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.874 112.2 54.8 -57.2 -35.8 -15.4 -3.6 49.2 316 339 A A H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.908 110.6 44.3 -63.8 -43.0 -14.5 -6.8 47.2 317 340 A W H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.914 112.9 50.5 -68.5 -43.3 -11.2 -7.0 48.9 318 341 A E H X S+ 0 0 120 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.909 114.4 45.4 -61.2 -40.1 -12.5 -6.2 52.4 319 342 A E H X S+ 0 0 78 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.910 111.5 51.7 -67.5 -43.9 -15.2 -8.9 51.9 320 343 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.913 111.8 47.1 -58.7 -43.2 -12.6 -11.4 50.5 321 344 A L H X S+ 0 0 21 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.915 112.5 49.5 -65.8 -42.4 -10.4 -10.9 53.6 322 345 A R H X S+ 0 0 151 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.947 114.7 44.1 -60.6 -49.1 -13.3 -11.2 56.0 323 346 A R H X S+ 0 0 57 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.868 114.1 49.0 -66.3 -38.8 -14.5 -14.4 54.4 324 347 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.940 113.2 47.0 -67.1 -46.6 -11.0 -16.0 54.1 325 348 A S H X S+ 0 0 33 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.906 113.7 48.1 -60.9 -42.3 -10.2 -15.1 57.7 326 349 A A H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.895 104.2 59.6 -69.8 -37.6 -13.5 -16.5 58.9 327 350 A A H < S+ 0 0 6 -4,-2.3 6,-2.5 1,-0.2 5,-0.5 0.877 114.1 38.5 -56.4 -37.0 -13.2 -19.7 56.9 328 351 A I H >< S+ 0 0 3 -4,-1.5 3,-1.8 4,-0.2 6,-0.3 0.963 115.9 50.3 -76.2 -52.5 -10.0 -20.4 58.9 329 352 A D H 3< S+ 0 0 86 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.772 108.5 51.0 -60.1 -32.2 -11.2 -19.2 62.3 330 353 A T T 3< S- 0 0 104 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.566 113.9-115.7 -81.6 -8.5 -14.4 -21.1 62.3 331 354 A G S <> S+ 0 0 17 -3,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.471 81.1 126.1 84.8 2.9 -12.5 -24.3 61.5 332 355 A A H > S+ 0 0 33 -5,-0.5 4,-2.3 -6,-0.4 -4,-0.2 0.886 73.1 48.2 -61.2 -38.4 -14.3 -24.6 58.2 333 356 A A H > S+ 0 0 0 -6,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.926 112.5 47.7 -68.7 -44.9 -11.0 -24.8 56.2 334 357 A E H > S+ 0 0 99 -52,-0.4 4,-2.0 -7,-0.3 -2,-0.2 0.932 114.3 47.2 -59.9 -45.6 -9.6 -27.4 58.5 335 358 A Q H X S+ 0 0 105 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.884 107.8 55.8 -66.1 -36.6 -12.8 -29.4 58.3 336 359 A L H X S+ 0 0 14 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.913 107.0 50.1 -61.1 -41.9 -13.0 -29.1 54.5 337 360 A L H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.942 110.8 49.0 -62.8 -45.0 -9.5 -30.6 54.2 338 361 A A H X S+ 0 0 62 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.882 112.7 48.2 -58.9 -39.7 -10.5 -33.5 56.5 339 362 A R H X S+ 0 0 156 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.845 108.7 53.9 -70.9 -32.3 -13.6 -34.1 54.4 340 363 A W H X S+ 0 0 8 -4,-2.3 4,-1.7 2,-0.2 -206,-0.3 0.906 109.6 48.2 -66.8 -42.5 -11.6 -33.9 51.2 341 364 A V H X S+ 0 0 16 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.925 111.8 49.0 -61.9 -47.6 -9.3 -36.6 52.5 342 365 A R H X S+ 0 0 38 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.887 106.8 57.5 -60.5 -39.3 -12.2 -38.8 53.6 343 366 A F H < S+ 0 0 19 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.929 106.0 48.6 -55.3 -48.1 -13.8 -38.3 50.1 344 367 A G H < S+ 0 0 18 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 112.2 49.2 -67.0 -28.8 -10.7 -39.7 48.4 345 368 A R H < 0 0 194 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.749 360.0 360.0 -80.1 -23.8 -10.7 -42.7 50.7 346 369 A Q < 0 0 188 -4,-1.6 -3,-0.1 -3,-0.4 -4,-0.0 0.032 360.0 360.0 -96.8 360.0 -14.4 -43.5 50.2 347 !* 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 0.0 348 24 B V 0 0 165 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.0 30.6 -25.1 35.7 349 25 B P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 19,-0.0 -0.084 360.0 167.4 -57.8 150.0 28.9 -24.7 32.3 350 26 B S > - 0 0 43 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.957 48.0-104.8-155.1 161.2 25.5 -26.4 31.6 351 27 B W H > S+ 0 0 17 -2,-0.3 4,-2.9 1,-0.2 5,-0.4 0.914 119.4 52.5 -61.7 -42.5 22.8 -26.2 29.0 352 28 B P H > S+ 0 0 54 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.902 110.4 49.4 -62.5 -34.5 20.4 -24.3 31.3 353 29 B Q H > S+ 0 0 85 2,-0.2 4,-1.8 3,-0.2 -2,-0.2 0.948 117.2 39.1 -66.6 -47.9 23.2 -21.7 32.0 354 30 B I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -3,-0.2 0.933 118.7 45.6 -69.7 -45.5 24.0 -21.1 28.3 355 31 B L H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.884 112.3 53.1 -67.8 -36.3 20.5 -21.3 26.9 356 32 B G H X S+ 0 0 23 -4,-1.9 4,-1.1 -5,-0.4 -1,-0.2 0.893 108.8 49.2 -64.5 -40.1 19.3 -19.0 29.7 357 33 B R H <>S+ 0 0 64 -4,-1.8 5,-1.9 -5,-0.2 3,-0.5 0.948 113.5 46.5 -63.9 -45.8 21.9 -16.5 28.9 358 34 B L H ><5S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.921 109.3 52.3 -65.0 -42.8 21.0 -16.6 25.2 359 35 B T H 3<5S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.714 103.6 59.7 -69.6 -16.5 17.3 -16.3 25.7 360 36 B D T 3<5S- 0 0 107 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.253 120.2-113.9 -87.6 12.4 18.0 -13.3 27.9 361 37 B N T < 5S+ 0 0 98 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.847 70.2 139.7 59.5 37.3 19.6 -11.7 24.8 362 38 B R < - 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0 0 46 -3,-1.6 2,-0.4 -6,-0.2 -9,-0.0 -0.538 58.0-144.9 -79.1 145.4 49.6 -5.6 -2.5 659 335 B E > - 0 0 57 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.922 11.6-125.8-119.9 141.1 47.4 -2.9 -3.9 660 336 B W H > S+ 0 0 78 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 0.879 98.3 33.9 -52.7 -68.5 43.6 -3.1 -4.6 661 337 B L H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 120.0 48.5 -63.4 -45.4 42.9 -2.0 -8.2 662 338 B P H > S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.870 108.2 57.6 -59.2 -36.4 46.1 -3.5 -9.7 663 339 B A H X S+ 0 0 16 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.926 108.2 45.8 -58.7 -45.7 45.4 -6.7 -7.8 664 340 B W H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.908 111.3 51.1 -64.0 -44.4 42.0 -7.0 -9.6 665 341 B E H X S+ 0 0 108 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 114.1 44.5 -59.5 -44.1 43.5 -6.2 -13.0 666 342 B E H X S+ 0 0 93 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.916 112.8 51.8 -65.8 -42.6 46.1 -8.8 -12.6 667 343 B G H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.905 111.8 46.6 -59.6 -42.1 43.6 -11.3 -11.2 668 344 B L H X S+ 0 0 18 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.922 112.7 49.6 -67.9 -42.7 41.3 -10.7 -14.2 669 345 B R H X S+ 0 0 149 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.939 114.5 44.4 -58.3 -50.2 44.2 -11.1 -16.6 670 346 B R H X S+ 0 0 59 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.868 113.2 50.2 -65.8 -38.9 45.4 -14.3 -15.0 671 347 B A H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.935 113.0 45.6 -66.7 -47.2 41.9 -15.8 -14.7 672 348 B S H X S+ 0 0 34 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.906 113.7 49.4 -61.7 -43.4 41.1 -15.1 -18.4 673 349 B A H X S+ 0 0 44 -4,-2.3 4,-2.4 -5,-0.2 6,-0.4 0.886 103.4 60.6 -65.5 -37.4 44.4 -16.4 -19.6 674 350 B A H < S+ 0 0 6 -4,-2.2 6,-2.6 1,-0.2 5,-0.3 0.848 113.2 37.7 -59.5 -33.7 44.0 -19.6 -17.5 675 351 B I H >< S+ 0 0 3 -4,-1.2 3,-1.9 -3,-0.3 6,-0.3 0.951 115.4 51.4 -78.7 -52.9 40.9 -20.4 -19.5 676 352 B D H 3< S+ 0 0 84 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.763 107.6 51.7 -60.0 -30.8 42.0 -19.2 -22.9 677 353 B T T 3< S- 0 0 101 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.571 113.6-116.3 -81.3 -7.4 45.3 -21.1 -23.0 678 354 B G S <> S+ 0 0 16 -3,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.459 81.4 125.6 84.2 0.4 43.4 -24.3 -22.1 679 355 B A H > S+ 0 0 30 -6,-0.4 4,-2.0 -5,-0.3 -4,-0.2 0.893 72.7 49.3 -59.0 -40.9 45.2 -24.5 -18.8 680 356 B A H > S+ 0 0 0 -6,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.922 112.2 47.2 -67.2 -43.9 42.0 -24.7 -16.9 681 357 B E H > S+ 0 0 98 -52,-0.4 4,-2.0 -7,-0.3 -2,-0.2 0.916 113.1 48.8 -61.3 -43.8 40.5 -27.4 -19.1 682 358 B Q H X S+ 0 0 103 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.860 107.1 55.6 -66.4 -35.1 43.7 -29.5 -18.9 683 359 B L H X S+ 0 0 16 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.925 107.5 49.0 -65.4 -42.7 43.9 -29.2 -15.1 684 360 B L H X S+ 0 0 16 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.930 112.0 48.9 -61.3 -44.8 40.4 -30.6 -14.8 685 361 B A H X S+ 0 0 51 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.905 113.2 47.4 -59.1 -41.9 41.4 -33.5 -17.1 686 362 B R H X S+ 0 0 128 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.855 110.1 52.8 -68.9 -33.7 44.5 -34.0 -15.1 687 363 B W H X S+ 0 0 10 -4,-2.7 4,-1.5 2,-0.2 -206,-0.3 0.915 109.6 48.1 -67.6 -44.0 42.5 -33.9 -11.8 688 364 B V H X S+ 0 0 16 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.926 112.6 49.4 -59.4 -46.3 40.1 -36.6 -13.1 689 365 B R H X S+ 0 0 146 -4,-2.2 4,-1.0 1,-0.2 3,-0.3 0.894 105.0 57.9 -60.7 -43.7 43.0 -38.7 -14.2 690 366 B F H >< S+ 0 0 33 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.889 104.8 51.9 -52.9 -43.1 44.7 -38.4 -10.8 691 367 B G H 3< S+ 0 0 7 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.5 49.9 -68.7 -33.0 41.7 -39.9 -9.1 692 368 B R H 3< 0 0 187 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.634 360.0 360.0 -79.0 -13.0 41.5 -42.9 -11.3 693 369 B Q << 0 0 188 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.1 -0.631 360.0 360.0 75.0 360.0 45.3 -43.4 -10.6