==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAR-11 3R6C . COMPND 2 MOLECULE: ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.CASTELL,F.L.SHORT,J.S.LOTT,TB STRUCTURAL GENOMICS CONSORTI . 692 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 70.4 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 . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.5 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 0 0 2 0 2 6 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 25 A P 0 0 105 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 150.0 1.8 -31.2 32.5 2 26 A S > - 0 0 48 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.974 360.0-109.2-150.7 161.3 1.2 -30.3 28.9 3 27 A W H > S+ 0 0 16 -2,-0.3 4,-3.0 1,-0.2 5,-0.4 0.936 117.8 50.6 -60.1 -48.0 -0.2 -27.6 26.6 4 28 A P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.886 112.5 48.4 -58.9 -36.2 -3.2 -29.7 25.5 5 29 A Q H > S+ 0 0 95 2,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.932 117.3 39.8 -67.0 -46.3 -4.0 -30.5 29.2 6 30 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.962 119.1 44.4 -71.9 -49.1 -3.7 -26.8 30.3 7 31 A L H X S+ 0 0 2 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.886 113.4 52.9 -62.5 -38.6 -5.5 -25.3 27.3 8 32 A G H X S+ 0 0 12 -4,-1.9 4,-1.7 -5,-0.4 -1,-0.2 0.902 109.0 48.8 -61.6 -42.0 -8.1 -28.0 27.5 9 33 A R H <>S+ 0 0 59 -4,-1.9 5,-2.1 2,-0.2 -2,-0.2 0.930 114.9 45.2 -64.8 -43.2 -8.8 -27.3 31.1 10 34 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.930 111.6 50.5 -66.9 -46.2 -9.0 -23.5 30.4 11 35 A T H 3<5S+ 0 0 21 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 105.1 58.6 -65.0 -25.1 -11.3 -24.0 27.3 12 36 A D T 3<5S- 0 0 111 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.320 120.7-114.4 -79.4 6.8 -13.5 -26.2 29.4 13 37 A N T < 5 + 0 0 89 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.847 68.5 141.5 62.1 39.1 -13.9 -23.1 31.7 14 38 A R < - 0 0 119 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.885 57.0-112.8-112.5 141.9 -12.1 -24.7 34.6 15 39 A D - 0 0 88 -2,-0.4 2,-0.0 1,-0.1 30,-0.0 -0.409 45.6-107.3 -60.9 145.8 -9.7 -23.1 37.1 16 40 A L - 0 0 17 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.313 31.2-102.8 -72.9 160.8 -6.3 -24.6 36.7 17 41 A A >> - 0 0 36 1,-0.1 3,-2.1 -3,-0.1 4,-0.5 -0.502 55.3 -79.0 -74.3 152.8 -4.7 -27.0 39.2 18 42 A R T 34 S+ 0 0 208 1,-0.2 -1,-0.1 -2,-0.2 36,-0.0 -0.274 120.7 20.7 -51.6 137.9 -2.1 -25.5 41.5 19 43 A G T 3> S+ 0 0 36 -3,-0.1 4,-2.6 1,-0.1 -1,-0.2 0.119 96.6 99.0 88.0 -21.9 1.2 -25.2 39.6 20 44 A Q H <> S+ 0 0 18 -3,-2.1 4,-2.4 2,-0.2 5,-0.2 0.946 83.3 45.9 -67.3 -49.5 -0.3 -25.3 36.1 21 45 A A H X S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.919 114.9 51.0 -54.4 -44.6 -0.3 -21.5 35.5 22 46 A A H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.919 108.7 50.1 -60.1 -44.2 3.3 -21.5 36.8 23 47 A W H X S+ 0 0 61 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.931 112.3 48.4 -59.2 -45.7 4.4 -24.4 34.5 24 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.928 111.6 47.3 -61.9 -48.4 2.9 -22.6 31.6 25 49 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.903 111.5 52.7 -63.0 -37.8 4.5 -19.2 32.4 26 50 A D H X S+ 0 0 55 -4,-2.6 4,-1.4 2,-0.2 6,-0.3 0.906 107.6 50.2 -65.4 -40.1 7.8 -21.0 32.9 27 51 A Q H <>S+ 0 0 38 -4,-2.4 5,-2.0 1,-0.2 6,-0.7 0.921 113.0 48.4 -57.2 -43.1 7.5 -22.7 29.5 28 52 A I H ><5S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 5,-0.2 0.902 112.7 46.7 -65.9 -40.7 6.8 -19.2 28.0 29 53 A M H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.669 108.4 55.3 -80.0 -17.8 9.8 -17.6 29.8 30 54 A T T 3<5S- 0 0 62 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.306 114.8-109.9 -99.4 9.6 12.3 -20.4 28.9 31 55 A G T < 5S+ 0 0 41 -3,-1.0 -3,-0.2 130,-0.3 -2,-0.1 0.622 88.4 116.9 74.4 15.3 11.6 -20.1 25.1 32 56 A N < + 0 0 101 -5,-2.0 2,-0.4 -6,-0.3 -4,-0.2 0.427 50.6 86.6 -95.0 -0.5 9.9 -23.4 25.1 33 57 A A S S- 0 0 13 -6,-0.7 -9,-0.0 -5,-0.2 -2,-0.0 -0.838 73.7-126.8-107.7 139.1 6.4 -22.3 24.0 34 58 A R > - 0 0 130 -2,-0.4 4,-2.5 484,-0.1 3,-0.5 -0.520 27.2-117.7 -71.9 145.4 5.1 -21.8 20.5 35 59 A P H > S+ 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.917 118.5 55.1 -49.9 -43.8 3.6 -18.3 19.8 36 60 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 108.4 47.7 -54.7 -43.0 0.3 -20.1 19.1 37 61 A Q H > S+ 0 0 25 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.914 111.4 50.1 -65.9 -43.1 0.5 -21.8 22.6 38 62 A I H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.954 114.2 45.2 -58.0 -48.8 1.3 -18.5 24.3 39 63 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.933 112.2 50.3 -64.4 -46.6 -1.6 -16.8 22.6 40 64 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.900 113.6 47.3 -55.5 -43.2 -4.0 -19.6 23.3 41 65 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.946 112.4 46.8 -66.3 -50.8 -3.0 -19.6 26.9 42 66 A A H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 135,-0.7 0.950 119.0 41.8 -57.6 -49.2 -3.3 -15.8 27.4 43 67 A V H X S+ 0 0 1 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.950 115.0 49.2 -65.3 -49.7 -6.7 -15.7 25.6 44 68 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.888 111.6 48.7 -60.4 -41.3 -8.1 -18.9 27.3 45 69 A M H X S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.925 111.3 50.9 -62.1 -42.5 -7.1 -17.8 30.8 46 70 A T H < S+ 0 0 26 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.906 113.1 43.7 -63.1 -43.1 -8.7 -14.3 30.2 47 71 A M H < S+ 0 0 19 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.761 109.7 55.5 -80.3 -24.0 -12.0 -15.7 29.0 48 72 A K H < S- 0 0 13 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.834 121.5-108.0 -66.1 -31.7 -12.2 -18.4 31.7 49 73 A A < - 0 0 59 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.675 34.1-117.6 92.5 97.7 -11.9 -15.5 34.3 50 74 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 155,-0.1 -0.288 24.0-137.8 -65.6 147.8 -8.4 -15.7 35.9 51 75 A T > - 0 0 37 1,-0.1 4,-2.6 154,-0.0 5,-0.3 -0.667 22.3-113.7 -98.3 161.7 -8.1 -16.3 39.6 52 76 A A H > S+ 0 0 33 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.869 118.9 55.5 -59.1 -39.5 -5.8 -14.5 41.9 53 77 A D H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 110.0 45.4 -58.6 -49.9 -4.0 -17.8 42.5 54 78 A E H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.938 115.4 44.3 -60.4 -52.6 -3.4 -18.2 38.7 55 79 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.905 111.2 56.2 -60.0 -39.8 -2.2 -14.7 38.1 56 80 A G H X S+ 0 0 24 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.899 105.8 51.0 -57.1 -43.0 -0.1 -14.9 41.2 57 81 A E H X S+ 0 0 35 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.923 110.3 49.4 -60.9 -45.0 1.6 -18.0 39.7 58 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.927 114.6 43.1 -57.1 -49.2 2.3 -16.1 36.5 59 83 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.881 111.9 55.5 -69.2 -38.1 3.8 -13.1 38.3 60 84 A G H X S+ 0 0 35 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.903 107.2 48.9 -59.5 -46.4 5.7 -15.4 40.6 61 85 A V H X S+ 0 0 14 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.949 111.5 49.6 -60.0 -47.1 7.4 -17.2 37.7 62 86 A M H >X S+ 0 0 5 -4,-2.0 4,-1.1 1,-0.2 3,-0.5 0.926 112.7 47.0 -57.9 -44.9 8.3 -13.9 36.1 63 87 A L H 3< S+ 0 0 17 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.867 106.8 57.6 -65.0 -36.4 9.8 -12.7 39.4 64 88 A S H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.769 114.7 38.8 -66.3 -25.3 11.7 -16.0 39.9 65 89 A H H << S+ 0 0 65 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.593 96.8 105.8 -94.5 -15.4 13.4 -15.3 36.5 66 90 A A S < S- 0 0 14 -4,-1.1 93,-0.2 -3,-0.3 92,-0.1 -0.196 81.4-102.9 -69.5 155.7 13.9 -11.5 36.9 67 91 A H - 0 0 77 91,-2.2 -1,-0.1 90,-0.0 2,-0.1 -0.690 45.1-143.7 -69.4 119.9 17.2 -9.8 37.6 68 92 A P - 0 0 90 0, 0.0 120,-0.2 0, 0.0 3,-0.1 -0.448 12.3-110.6 -82.4 161.9 16.9 -8.9 41.3 69 93 A L - 0 0 18 118,-0.6 3,-0.1 1,-0.1 70,-0.1 -0.586 53.1 -79.9 -80.5 156.6 18.3 -5.7 42.9 70 94 A P > - 0 0 39 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.155 61.9 -79.2 -57.8 152.2 21.3 -6.2 45.2 71 95 A A T 3 S+ 0 0 91 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.184 111.5 3.5 -53.3 139.6 20.8 -7.5 48.7 72 96 A D T 3 S+ 0 0 171 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.831 96.4 111.7 49.5 45.3 19.6 -4.8 51.2 73 97 A T < + 0 0 46 -3,-1.0 -2,-0.1 1,-0.1 -1,-0.1 0.442 60.5 69.6-117.3 -7.8 19.4 -2.0 48.6 74 98 A V S S- 0 0 35 -4,-0.2 -1,-0.1 -5,-0.1 -2,-0.1 -0.955 84.2-128.1-112.7 118.1 15.6 -1.5 48.6 75 99 A P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 -2,-0.1 -0.289 22.0-113.4 -65.7 155.5 14.1 -0.1 51.8 76 100 A D T 3 S+ 0 0 132 1,-0.3 115,-0.3 114,-0.1 -2,-0.0 0.665 114.8 48.0 -57.8 -23.9 11.2 -1.9 53.4 77 101 A D T 3 S+ 0 0 55 113,-0.1 -1,-0.3 114,-0.1 229,-0.1 0.100 76.8 140.1-110.2 21.7 8.8 1.0 52.6 78 102 A A < - 0 0 0 -3,-1.8 114,-1.2 110,-0.1 113,-0.5 -0.313 36.5-152.7 -64.0 149.7 9.7 1.5 48.9 79 103 A V E -ab 109 192A 0 29,-2.4 31,-2.0 112,-0.1 2,-0.3 -0.907 8.8-151.0-127.7 153.3 6.6 2.3 46.7 80 104 A D E - b 0 193A 4 112,-1.3 114,-2.2 -2,-0.3 2,-0.3 -0.855 2.5-164.8-115.8 154.1 5.7 1.8 43.1 81 105 A V E + b 0 194A 0 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.884 39.2 128.8-138.7 105.1 3.4 3.9 41.0 82 106 A V E - b 0 195A 10 112,-1.7 114,-1.8 -2,-0.3 2,-0.3 -0.991 34.1-158.0-159.9 148.4 2.5 2.0 37.8 83 107 A G E - b 0 196A 17 -2,-0.3 114,-0.2 112,-0.2 3,-0.1 -0.811 33.3-112.0-128.5 171.9 -0.5 0.8 35.7 84 108 A T - 0 0 11 112,-1.6 113,-0.1 -2,-0.3 98,-0.1 0.727 48.7-151.0 -66.0 -25.7 -1.4 -1.7 33.2 85 109 A G + 0 0 26 142,-0.2 113,-0.5 1,-0.1 -1,-0.2 -0.370 58.7 111.9 67.8-164.8 -1.8 1.0 30.5 86 110 A G + 0 0 41 -2,-0.1 -1,-0.1 -3,-0.1 93,-0.0 0.665 32.5 129.1 78.7 16.4 -4.4 0.1 27.9 87 111 A D - 0 0 25 1,-0.1 -1,-0.1 112,-0.0 -2,-0.0 0.676 62.7-139.0 -77.9 -12.7 -6.9 2.7 28.9 88 112 A G S S+ 0 0 73 1,-0.1 138,-0.1 3,-0.0 -1,-0.1 0.648 74.7 104.4 69.4 17.1 -7.2 4.0 25.3 89 113 A V S S- 0 0 38 136,-0.1 178,-0.2 2,-0.0 -1,-0.1 0.650 72.3-140.9-106.0 -22.7 -7.2 7.6 26.4 90 114 A N + 0 0 44 176,-0.1 177,-3.8 1,-0.1 3,-0.1 0.950 38.2 171.7 59.6 53.0 -3.7 8.8 25.5 91 115 A T B -G 266 0B 13 175,-0.3 175,-0.3 1,-0.2 30,-0.2 -0.250 41.8 -82.9 -83.3 172.4 -3.2 11.0 28.7 92 116 A V - 0 0 3 173,-2.4 2,-1.9 175,-0.2 -1,-0.2 -0.357 65.6 -83.9 -62.2 158.8 -0.2 12.8 30.0 93 117 A N > + 0 0 18 1,-0.2 4,-2.3 180,-0.1 5,-0.2 -0.489 59.0 169.1 -76.9 81.3 2.0 10.4 32.0 94 118 A L H > S+ 0 0 1 -2,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.860 72.0 48.7 -65.3 -41.2 0.2 10.6 35.4 95 119 A S H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.913 112.7 48.6 -65.9 -44.5 2.0 7.7 37.1 96 120 A T H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.920 114.4 45.2 -61.8 -45.0 5.4 8.9 36.1 97 121 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.927 113.9 49.4 -64.9 -44.3 4.7 12.5 37.3 98 122 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.916 108.1 54.7 -58.9 -44.6 3.1 11.2 40.5 99 123 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.872 107.1 49.7 -58.4 -42.3 6.2 9.0 41.2 100 124 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.946 113.3 47.1 -60.8 -45.6 8.6 12.0 40.9 101 125 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.905 111.4 50.6 -64.0 -43.8 6.4 13.9 43.3 102 126 A V H <>S+ 0 0 0 -4,-3.0 5,-1.8 2,-0.2 3,-0.3 0.924 111.2 48.1 -59.3 -46.5 6.2 11.0 45.8 103 127 A A H ><5S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.907 108.8 54.4 -61.9 -41.3 9.9 10.5 45.8 104 128 A A H 3<5S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.760 100.4 60.5 -67.0 -24.4 10.4 14.3 46.3 105 129 A A T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.541 127.5-100.8 -74.7 -6.1 8.1 14.0 49.4 106 130 A G T < 5S+ 0 0 56 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.505 81.0 132.2 98.8 6.2 10.7 11.5 50.8 107 131 A V < - 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0 0 47 -3,-1.2 2,-0.4 -6,-0.3 -5,-0.0 -0.093 42.8-158.5 -53.4 129.3 -2.9 3.8 59.4 311 335 A E > - 0 0 136 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.953 15.3-134.7-112.4 129.9 -6.2 5.7 59.2 312 336 A W H > S+ 0 0 65 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.864 96.5 37.5 -52.3 -57.8 -7.8 6.3 55.7 313 337 A L H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 117.5 49.0 -70.6 -45.5 -8.9 9.9 55.8 314 338 A P H > S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.926 111.3 53.2 -55.2 -39.7 -6.0 11.3 57.9 315 339 A A H X S+ 0 0 13 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.902 109.5 47.0 -63.1 -42.4 -3.7 9.5 55.4 316 340 A W H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.925 112.3 49.6 -63.0 -45.4 -5.3 11.1 52.4 317 341 A E H X S+ 0 0 100 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 115.9 42.8 -61.2 -43.7 -5.2 14.6 54.0 318 342 A E H X S+ 0 0 97 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.903 112.6 53.4 -67.3 -43.5 -1.5 14.1 54.8 319 343 A G H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.894 111.3 46.8 -55.5 -43.1 -0.8 12.5 51.4 320 344 A L H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.909 112.4 48.2 -69.3 -43.6 -2.4 15.6 49.7 321 345 A R H X S+ 0 0 149 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.926 115.2 46.9 -58.3 -45.0 -0.5 18.1 51.9 322 346 A R H X S+ 0 0 74 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.898 112.6 47.2 -68.0 -43.0 2.8 16.2 51.2 323 347 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.926 115.1 46.2 -64.7 -45.5 2.2 15.9 47.4 324 348 A S H X S+ 0 0 34 -4,-2.4 4,-3.1 1,-0.2 3,-0.4 0.950 113.4 49.1 -62.8 -46.7 1.3 19.6 47.1 325 349 A A H X S+ 0 0 46 -4,-2.6 4,-2.6 1,-0.2 6,-0.4 0.858 104.6 59.2 -59.9 -37.8 4.3 20.7 49.3 326 350 A A H < S+ 0 0 4 -4,-2.2 6,-2.5 1,-0.2 7,-0.3 0.873 114.7 36.6 -62.4 -35.3 6.7 18.5 47.3 327 351 A I H >< S+ 0 0 4 -4,-1.4 3,-1.7 -3,-0.4 6,-0.3 0.949 117.6 50.5 -76.1 -50.0 5.7 20.5 44.2 328 352 A D H 3< S+ 0 0 89 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.777 107.7 51.4 -64.9 -32.1 5.4 23.9 45.8 329 353 A T T 3< S- 0 0 102 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 0.560 114.2-115.5 -77.0 -11.4 8.7 23.8 47.6 330 354 A G S <> S+ 0 0 16 -3,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.393 81.1 125.9 87.0 -1.0 10.4 23.0 44.4 331 355 A A H > S+ 0 0 26 -6,-0.4 4,-2.8 -5,-0.3 -4,-0.2 0.888 72.8 47.9 -56.3 -43.6 11.5 19.6 45.7 332 356 A A H > S+ 0 0 0 -6,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.931 112.5 48.0 -66.7 -45.9 9.9 17.7 42.8 333 357 A E H > S+ 0 0 102 -52,-0.5 4,-2.0 -7,-0.3 -2,-0.2 0.928 115.9 45.0 -57.7 -46.6 11.5 20.0 40.2 334 358 A Q H X S+ 0 0 96 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.880 108.8 56.0 -67.6 -39.4 14.9 19.7 41.9 335 359 A L H X S+ 0 0 14 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.944 107.1 49.5 -60.2 -45.8 14.6 16.0 42.3 336 360 A L H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.939 111.6 49.1 -55.8 -49.1 14.0 15.5 38.6 337 361 A A H X S+ 0 0 62 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.936 112.1 48.4 -56.5 -46.3 17.1 17.7 37.8 338 362 A R H X S+ 0 0 131 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.862 109.7 52.9 -63.9 -33.8 19.2 15.7 40.3 339 363 A W H X S+ 0 0 7 -4,-2.5 4,-1.7 -5,-0.2 -206,-0.3 0.899 109.9 48.0 -66.3 -41.9 17.9 12.4 38.7 340 364 A V H X S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.914 112.8 48.5 -63.8 -43.4 19.0 13.7 35.3 341 365 A R H X S+ 0 0 136 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.932 107.0 56.6 -65.4 -43.0 22.4 14.7 36.6 342 366 A F H >< S+ 0 0 15 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.904 108.6 46.6 -50.5 -48.0 22.9 11.4 38.3 343 367 A G H >< S+ 0 0 2 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.860 109.9 52.3 -68.6 -37.0 22.4 9.5 35.0 344 368 A R H 3< S+ 0 0 192 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.676 105.5 59.2 -70.0 -17.7 24.8 11.7 33.1 345 369 A Q T << 0 0 129 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.180 360.0 360.0-102.2 14.7 27.4 11.1 35.8 346 370 A I < 0 0 87 -3,-1.0 -1,-0.2 -206,-0.0 -2,-0.1 0.807 360.0 360.0 -90.7 360.0 27.8 7.3 35.5 347 !* 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 25 B P 0 0 113 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 146.2 -12.2 -4.7 10.6 349 26 B S > - 0 0 45 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.973 360.0-105.4-154.5 165.0 -9.2 -5.7 12.8 350 27 B W H >>S+ 0 0 16 -2,-0.3 4,-3.0 2,-0.2 5,-0.5 0.923 119.0 52.1 -61.4 -46.1 -7.9 -8.3 15.2 351 28 B P H >5S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.899 113.5 46.1 -55.8 -40.9 -8.3 -6.0 18.2 352 29 B Q H >5S+ 0 0 97 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.951 119.9 36.5 -66.4 -51.1 -11.9 -5.4 17.2 353 30 B I H X5S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -3,-0.2 0.952 120.6 45.2 -73.1 -49.2 -12.9 -8.9 16.5 354 31 B L H X5S+ 0 0 1 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.886 113.4 52.7 -59.8 -39.3 -10.9 -10.6 19.3 355 32 B G H XS+ 0 0 63 -4,-2.0 5,-2.2 2,-0.2 -1,-0.2 0.904 112.9 47.3 -61.4 -43.4 -15.7 -8.5 20.8 357 34 B L H ><5S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.927 110.0 50.9 -67.1 -44.2 -15.2 -12.3 21.4 358 35 B T H 3<5S+ 0 0 33 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.777 104.7 58.7 -65.9 -23.7 -13.4 -11.8 24.8 359 36 B D T 3<5S- 0 0 109 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.321 119.7-117.1 -83.3 7.7 -16.4 -9.6 25.8 360 37 B N T < 5 + 0 0 96 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.825 67.5 140.8 58.8 38.6 -18.5 -12.7 25.1 361 38 B R < - 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0 0 48 -3,-1.1 2,-0.4 -6,-0.3 -5,-0.0 -0.314 43.9-151.9 -63.5 138.0 -39.3 -39.2 1.9 658 335 B E > - 0 0 134 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.956 13.8-129.8-116.0 136.5 -40.7 -40.9 5.1 659 336 B W H > S+ 0 0 62 -2,-0.4 4,-2.1 2,-0.2 5,-0.1 0.879 99.0 36.6 -51.3 -62.5 -38.4 -41.6 8.1 660 337 B L H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 118.1 49.6 -67.4 -43.6 -39.1 -45.3 9.0 661 338 B P H > S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.890 110.0 53.1 -58.8 -38.0 -39.5 -46.5 5.4 662 339 B A H X S+ 0 0 14 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.933 110.3 47.7 -62.1 -45.1 -36.2 -44.7 4.4 663 340 B W H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.927 111.1 49.5 -59.4 -48.4 -34.4 -46.5 7.3 664 341 B E H X S+ 0 0 97 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.919 116.0 42.9 -60.0 -44.3 -35.8 -50.0 6.4 665 342 B E H X S+ 0 0 99 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.932 113.8 53.2 -63.6 -45.0 -34.8 -49.5 2.7 666 343 B G H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.915 110.9 45.6 -55.1 -48.6 -31.4 -48.0 3.9 667 344 B L H X S+ 0 0 20 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.883 113.2 49.5 -65.3 -41.5 -30.7 -51.0 6.0 668 345 B R H X S+ 0 0 153 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.904 113.8 46.1 -61.2 -44.9 -31.7 -53.5 3.3 669 346 B R H X S+ 0 0 76 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.859 113.7 47.9 -69.2 -37.2 -29.6 -51.8 0.7 670 347 B A H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.927 114.5 45.9 -70.4 -45.0 -26.5 -51.5 3.1 671 348 B S H X S+ 0 0 32 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.926 114.2 48.2 -61.2 -48.2 -26.8 -55.2 4.1 672 349 B A H X S+ 0 0 47 -4,-2.6 4,-2.7 1,-0.2 6,-0.4 0.900 105.3 58.7 -61.6 -41.6 -27.2 -56.3 0.5 673 350 B A H < S+ 0 0 5 -4,-2.1 6,-2.6 1,-0.2 7,-0.3 0.862 114.8 36.9 -57.5 -36.9 -24.3 -54.2 -0.7 674 351 B I H >< S+ 0 0 4 -4,-1.4 3,-1.4 -3,-0.3 6,-0.3 0.936 117.5 50.2 -76.6 -48.4 -22.0 -56.1 1.7 675 352 B D H 3< S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.773 108.6 50.6 -66.9 -30.7 -23.6 -59.5 1.3 676 353 B T T 3< S- 0 0 103 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 0.563 114.2-115.9 -80.0 -9.4 -23.6 -59.6 -2.5 677 354 B G S <> S+ 0 0 16 -3,-1.4 4,-3.0 -5,-0.2 5,-0.2 0.395 81.3 125.6 84.5 -0.4 -19.9 -58.7 -2.5 678 355 B A H > S+ 0 0 27 -6,-0.4 4,-2.6 -5,-0.3 -4,-0.2 0.886 73.3 48.6 -54.5 -43.3 -20.6 -55.3 -4.2 679 356 B A H > S+ 0 0 0 -6,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.926 113.1 46.0 -65.8 -45.9 -18.9 -53.4 -1.4 680 357 B E H > S+ 0 0 102 -52,-0.5 4,-1.9 -7,-0.3 -2,-0.2 0.930 115.4 48.2 -61.3 -46.1 -15.8 -55.6 -1.5 681 358 B Q H X S+ 0 0 97 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.885 107.3 55.5 -61.0 -41.3 -15.7 -55.4 -5.3 682 359 B L H X S+ 0 0 15 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.917 107.3 49.6 -60.6 -43.5 -16.1 -51.6 -5.2 683 360 B L H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.924 111.0 49.1 -59.3 -46.7 -13.1 -51.3 -3.0 684 361 B A H X S+ 0 0 37 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.921 113.4 47.5 -58.1 -44.4 -11.1 -53.5 -5.4 685 362 B R H X S+ 0 0 132 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.856 110.0 52.7 -65.3 -34.6 -12.3 -51.4 -8.3 686 363 B W H X S+ 0 0 6 -4,-2.5 4,-1.8 -5,-0.2 -206,-0.3 0.929 110.3 48.0 -66.1 -44.9 -11.4 -48.2 -6.4 687 364 B V H X S+ 0 0 15 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.941 112.4 48.7 -58.6 -49.2 -7.9 -49.6 -5.8 688 365 B R H X S+ 0 0 114 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.893 106.6 57.2 -58.6 -43.1 -7.5 -50.5 -9.5 689 366 B F H >< S+ 0 0 13 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.914 107.5 46.6 -53.5 -49.4 -8.8 -47.1 -10.6 690 367 B G H >< S+ 0 0 11 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.824 113.2 50.5 -64.9 -32.7 -6.0 -45.3 -8.7 691 368 B R H 3< S+ 0 0 185 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.687 105.9 56.0 -76.3 -20.8 -3.4 -47.7 -10.1 692 369 B Q T << 0 0 141 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.082 360.0 360.0-106.0 24.1 -4.6 -47.2 -13.7 693 370 B I < 0 0 140 -3,-0.7 -1,-0.2 -5,-0.1 -4,-0.0 -0.557 360.0 360.0 73.1 360.0 -4.1 -43.4 -13.8