==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-OCT-09 3KAK . COMPND 2 MOLECULE: HOMOGLUTATHIONE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR A.GALANT,K.A.J.ARKUS,C.ZUBIETA,R.E.CAHOON,J.M.JEZ . 880 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 6 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 . 59 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 5 0 2 3 3 0 2 1 1 2 1 1 2 2 1 0 0 0 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 1 3 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 7 8 0 0 1 3 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 2 0 2 0 1 1 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 27 A P 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.7 42.6 -9.0 28.0 2 28 A L - 0 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.753 360.0 -15.7-110.7 -26.5 41.9 -5.5 29.7 3 29 A F S S+ 0 0 64 388,-0.0 2,-0.9 5,-0.0 167,-0.0 -0.367 71.2 172.3-179.5 87.4 40.7 -7.3 32.6 4 30 A D > - 0 0 35 1,-0.1 3,-1.4 386,-0.1 4,-0.4 -0.854 29.5-151.8 -77.1 100.9 40.0 -10.8 31.8 5 31 A Y G > S+ 0 0 9 -2,-0.9 3,-0.6 386,-0.5 -1,-0.1 0.628 83.1 76.2 -75.3 -10.6 39.4 -11.3 35.4 6 32 A H G 3 S+ 0 0 37 1,-0.2 -1,-0.3 397,-0.1 4,-0.0 0.771 88.0 62.4 -66.7 -30.9 40.5 -15.0 35.2 7 33 A R G < S+ 0 0 174 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.815 74.9 110.5 -58.5 -38.0 44.1 -13.8 35.0 8 34 A I S < S- 0 0 13 -3,-0.6 5,-0.1 -4,-0.4 161,-0.0 -0.178 86.2 -99.4 -52.7 130.7 43.9 -12.2 38.5 9 35 A D > - 0 0 94 1,-0.1 4,-1.2 3,-0.1 3,-0.3 -0.200 26.2-121.7 -55.4 140.1 46.1 -14.3 40.8 10 36 A Q H > S+ 0 0 130 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.441 107.2 58.3 -68.9 5.0 44.1 -16.8 42.9 11 37 A K H > S+ 0 0 132 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.862 104.9 46.1-104.2 -48.5 45.4 -15.3 46.2 12 38 A L H > S+ 0 0 22 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.707 111.3 54.9 -65.1 -22.9 44.2 -11.8 45.7 13 39 A L H X S+ 0 0 5 -4,-1.2 4,-2.3 2,-0.2 5,-0.3 0.841 97.1 61.6 -86.0 -25.6 40.8 -13.1 44.6 14 40 A Q H X S+ 0 0 96 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.912 112.1 43.1 -55.1 -38.6 40.3 -15.2 47.9 15 41 A N H X S+ 0 0 84 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.891 111.4 48.8 -75.0 -45.4 40.5 -11.7 49.5 16 42 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 3,-0.2 0.966 114.2 48.5 -60.6 -49.6 38.3 -9.6 47.2 17 43 A V H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.879 109.7 53.4 -57.0 -47.3 35.6 -12.4 47.4 18 44 A Y H X S+ 0 0 61 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.3 0.871 111.6 43.5 -51.7 -49.4 36.0 -12.4 51.1 19 45 A D H X S+ 0 0 48 -4,-2.2 4,-2.5 -3,-0.2 -2,-0.2 0.831 111.6 55.8 -64.0 -33.8 35.4 -8.7 51.3 20 46 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.840 108.2 48.6 -69.2 -34.6 32.5 -9.0 48.8 21 47 A L H X S+ 0 0 4 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.833 110.8 49.7 -76.3 -38.4 30.9 -11.5 51.1 22 48 A V H X S+ 0 0 13 -4,-1.8 4,-2.7 -5,-0.2 3,-0.3 0.970 110.7 49.1 -58.2 -58.4 31.3 -9.3 54.2 23 49 A W H X S+ 0 0 28 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.892 108.1 54.5 -50.8 -48.0 29.8 -6.3 52.4 24 50 A S H <>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 4,-0.4 0.891 111.4 45.6 -58.0 -39.4 26.8 -8.3 51.1 25 51 A T H ><5S+ 0 0 1 -4,-1.5 3,-1.3 -3,-0.3 -2,-0.2 0.974 114.1 47.7 -71.0 -46.6 26.0 -9.4 54.7 26 52 A L H 3<5S+ 0 0 26 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.751 119.8 38.2 -66.0 -24.5 26.4 -5.9 56.2 27 53 A N T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.215 112.5-108.4-113.9 9.2 24.3 -4.3 53.6 28 54 A C T < 5 + 0 0 6 -3,-1.3 2,-1.5 -4,-0.4 -3,-0.2 0.875 58.3 154.0 62.8 42.4 21.5 -6.9 53.0 29 55 A L < + 0 0 0 -5,-2.3 21,-1.6 -6,-0.2 2,-0.3 -0.605 46.8 131.9 -86.0 67.6 22.4 -8.2 49.7 30 56 A L E +A 49 0A 1 -2,-1.5 2,-0.3 19,-0.3 19,-0.2 -0.922 37.6 175.1-136.6 147.0 20.6 -11.2 51.0 31 57 A V E -A 48 0A 6 17,-3.0 17,-2.5 -2,-0.3 182,-0.2 -0.942 43.9 -83.1-139.4 159.9 18.0 -13.7 50.0 32 58 A G E -A 47 0A 1 180,-1.9 2,-0.4 -2,-0.3 15,-0.2 -0.417 50.0-112.7 -54.6 129.4 16.4 -16.9 51.5 33 59 A D > - 0 0 30 13,-4.1 3,-1.2 1,-0.2 6,-0.3 -0.657 14.6-142.1 -61.2 122.4 18.5 -19.9 50.7 34 60 A K T 3 S+ 0 0 109 -2,-0.4 -1,-0.2 1,-0.2 6,-0.1 0.808 102.4 62.6 -47.9 -31.8 16.5 -22.2 48.3 35 61 A S T 3 S+ 0 0 87 11,-0.1 2,-0.5 4,-0.0 -1,-0.2 0.757 89.9 75.1 -73.9 -20.7 18.0 -25.1 50.4 36 62 A V S X S- 0 0 50 -3,-1.2 3,-1.2 10,-0.3 4,-0.3 -0.805 76.8-143.9 -98.1 128.3 16.3 -24.0 53.6 37 63 A Q T 3 S+ 0 0 161 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.804 92.2 37.5 -72.5 -29.9 12.5 -24.8 53.6 38 64 A R T >> S+ 0 0 62 1,-0.2 4,-2.9 2,-0.1 3,-1.9 0.341 83.9 104.2 -92.9 0.9 11.0 -21.8 55.5 39 65 A S T <4 S+ 0 0 2 -3,-1.2 -7,-0.2 -6,-0.3 -1,-0.2 0.677 78.6 52.6 -70.1 -15.1 13.3 -19.1 54.0 40 66 A G T 34 S+ 0 0 2 -3,-0.3 171,-2.8 -4,-0.3 -1,-0.3 0.413 122.4 27.1 -91.5 1.6 10.6 -17.8 51.7 41 67 A R T <4 S+ 0 0 124 -3,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.587 114.3 59.9-130.2 -37.7 8.0 -17.3 54.4 42 68 A V S >< S- 0 0 33 -4,-2.9 3,-0.9 3,-0.1 -1,-0.2 -0.827 74.7-147.8 -98.5 110.7 9.9 -16.7 57.6 43 69 A P T 3 S+ 0 0 1 0, 0.0 425,-0.1 0, 0.0 3,-0.1 -0.306 78.4 36.4 -66.5 153.5 12.2 -13.6 57.5 44 70 A G T 3 S+ 0 0 0 1,-0.2 451,-2.3 -5,-0.1 2,-0.3 0.470 101.9 86.3 93.4 -2.3 15.4 -13.7 59.5 45 71 A V S < S+ 0 0 0 -3,-0.9 -1,-0.2 449,-0.2 449,-0.2 -0.960 82.6 16.0-135.0 147.6 16.2 -17.4 58.9 46 72 A G S S+ 0 0 15 447,-0.4 -13,-4.1 -2,-0.3 -10,-0.3 0.852 82.9 171.4 61.2 42.9 18.0 -19.5 56.2 47 73 A L E +AB 32 493A 1 446,-1.7 446,-1.4 -15,-0.2 445,-0.6 -0.487 11.6 170.1 -93.7 148.9 19.7 -16.3 54.7 48 74 A V E -AB 31 491A 12 -17,-2.5 -17,-3.0 -2,-0.2 443,-0.2 -0.989 38.3 -94.3-156.4 152.3 22.4 -16.2 52.1 49 75 A H E -A 30 0A 1 441,-2.0 348,-0.4 -2,-0.3 -19,-0.3 -0.428 51.8 -98.6 -66.0 148.0 24.2 -13.6 49.9 50 76 A L - 0 0 10 -21,-1.6 -1,-0.1 1,-0.1 2,-0.1 -0.463 46.5 -99.4 -54.8 134.4 22.7 -13.1 46.4 51 77 A P - 0 0 16 0, 0.0 391,-2.3 0, 0.0 2,-0.3 -0.438 61.1-178.2 -57.1 140.4 24.7 -15.1 43.8 52 78 A L E -De 395 442B 0 343,-2.2 343,-3.1 389,-0.3 2,-0.4 -0.947 40.2-118.7-152.9 150.8 27.0 -12.5 42.3 53 79 A S E -D 394 0B 1 389,-2.3 341,-0.3 -2,-0.3 4,-0.0 -0.842 33.4-138.4 -91.4 140.0 29.7 -11.6 39.8 54 80 A L S S+ 0 0 0 339,-3.8 -1,-0.1 -2,-0.4 340,-0.1 0.844 79.3 15.4 -74.0 -34.7 32.6 -10.4 41.7 55 81 A L S S- 0 0 2 338,-0.3 338,-0.2 389,-0.1 -1,-0.1 -0.971 91.8 -92.1-143.6 149.9 33.6 -7.4 39.6 56 82 A P - 0 0 0 0, 0.0 389,-0.2 0, 0.0 -2,-0.1 -0.258 31.8-130.0 -74.9 155.6 31.7 -5.6 36.9 57 83 A G E -k 445 0C 17 387,-0.7 389,-3.2 1,-0.1 2,-0.2 -0.567 33.3 -93.1 -97.6 164.3 31.8 -6.3 33.2 58 84 A P E +k 446 0C 74 0, 0.0 389,-0.2 0, 0.0 -1,-0.1 -0.474 40.3 171.0 -84.1 141.4 32.4 -3.7 30.5 59 85 A F E -k 447 0C 15 387,-1.7 389,-2.1 -2,-0.2 5,-0.1 -0.966 41.5-104.8-148.2 122.4 29.6 -1.8 28.7 60 86 A P > - 0 0 46 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.257 22.5-133.0 -53.6 133.9 30.3 1.2 26.3 61 87 A E H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 106.1 56.3 -44.9 -44.8 29.4 4.6 28.0 62 88 A S H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.962 107.2 46.0 -61.4 -49.3 27.5 5.6 24.8 63 89 A H H > S+ 0 0 30 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.771 111.3 53.4 -67.6 -28.3 25.2 2.5 24.8 64 90 A W H X S+ 0 0 20 -4,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.912 109.6 48.5 -66.6 -38.7 24.6 3.1 28.5 65 91 A K H X S+ 0 0 101 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.900 108.7 54.6 -61.5 -44.4 23.6 6.8 27.6 66 92 A Q H X S+ 0 0 58 -4,-2.5 4,-1.8 -5,-0.2 3,-0.3 0.947 108.4 47.1 -53.6 -51.1 21.4 5.4 24.9 67 93 A G H X S+ 0 0 2 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.875 108.0 57.1 -61.1 -44.4 19.5 3.2 27.4 68 94 A C H < S+ 0 0 25 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.870 108.3 45.4 -48.1 -46.9 19.1 6.0 29.8 69 95 A E H X S+ 0 0 94 -4,-1.9 4,-0.8 -3,-0.3 -2,-0.2 0.728 106.5 60.3 -75.2 -29.8 17.3 8.3 27.2 70 96 A L H X S+ 0 0 2 -4,-1.8 4,-3.4 -5,-0.2 5,-0.3 0.747 86.4 81.8 -57.7 -25.7 15.1 5.4 26.1 71 97 A A H X S+ 0 0 6 -4,-0.7 4,-1.8 -3,-0.4 -1,-0.2 0.931 98.3 32.7 -58.7 -52.6 13.7 5.1 29.7 72 98 A P H > S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.753 116.2 59.0 -71.8 -27.1 11.1 7.9 29.5 73 99 A I H X S+ 0 0 13 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.957 108.2 44.9 -60.5 -50.4 10.5 7.2 25.8 74 100 A F H X S+ 0 0 6 -4,-3.4 4,-3.3 2,-0.2 5,-0.2 0.898 110.3 57.1 -58.1 -41.4 9.5 3.6 26.7 75 101 A N H X S+ 0 0 4 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.934 110.6 41.3 -54.9 -48.2 7.3 4.9 29.7 76 102 A E H X S+ 0 0 58 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.902 114.6 52.6 -72.0 -39.4 5.2 7.1 27.4 77 103 A L H X S+ 0 0 9 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.957 107.8 50.6 -59.4 -48.3 5.1 4.4 24.8 78 104 A V H X S+ 0 0 3 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.908 112.7 47.8 -55.5 -41.5 3.8 1.9 27.4 79 105 A D H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.953 112.2 50.1 -66.2 -43.7 1.1 4.5 28.5 80 106 A R H >X S+ 0 0 96 -4,-3.0 3,-0.9 1,-0.2 4,-0.5 0.970 111.5 44.9 -58.5 -55.6 0.1 5.1 24.9 81 107 A V H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 7,-0.2 0.917 109.1 58.9 -53.7 -40.1 -0.3 1.4 23.9 82 108 A S H 3< S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.794 95.5 62.5 -64.1 -27.7 -2.2 0.7 27.1 83 109 A L H << S+ 0 0 102 -4,-1.3 2,-1.0 -3,-0.9 -1,-0.3 0.618 88.5 82.0 -70.8 -10.3 -4.8 3.3 26.2 84 110 A D S+ 0 0 9 -2,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.797 77.7 52.1 -67.8 -36.2 -8.0 -1.6 24.2 86 112 A K H > S+ 0 0 178 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.914 110.0 47.4 -67.6 -50.4 -9.0 -2.6 20.7 87 113 A F H > S+ 0 0 11 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.958 118.5 43.5 -48.5 -49.4 -5.4 -3.0 19.6 88 114 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -7,-0.2 -2,-0.2 0.936 117.1 44.2 -63.1 -51.0 -4.7 -5.0 22.8 89 115 A Q H X S+ 0 0 43 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.900 117.5 46.7 -62.5 -42.1 -7.9 -7.0 22.5 90 116 A E H < S+ 0 0 148 -4,-3.3 3,-0.4 1,-0.2 -2,-0.2 0.992 114.1 46.2 -62.5 -59.2 -7.3 -7.6 18.7 91 117 A S H < S+ 0 0 3 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.846 120.1 36.8 -45.6 -48.3 -3.7 -8.6 19.0 92 118 A L H < S+ 0 0 14 -4,-1.9 2,-1.7 -5,-0.2 -1,-0.2 0.639 92.6 81.8 -92.5 -20.2 -4.1 -11.0 22.0 93 119 A S < 0 0 81 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.1 -0.283 360.0 360.0 -87.2 60.2 -7.4 -12.7 21.3 94 120 A R 0 0 226 -2,-1.7 -1,-0.1 -3,-0.1 -4,-0.0 -0.849 360.0 360.0-120.6 360.0 -5.7 -15.2 18.8 95 ! 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 96 125 A D > 0 0 135 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 99.8 -3.0 -19.5 26.6 97 126 A E H > + 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 360.0 54.9 -60.2 -42.5 -5.5 -19.8 29.4 98 127 A F H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 109.3 43.2 -52.4 -61.5 -3.5 -17.1 31.4 99 128 A T H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 112.6 54.4 -55.0 -36.1 -3.5 -14.3 28.8 100 129 A S H X S+ 0 0 49 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.897 106.4 50.9 -75.2 -36.7 -7.1 -15.0 28.1 101 130 A R H X S+ 0 0 46 -4,-2.2 4,-1.2 1,-0.2 -1,-0.3 0.791 109.7 52.2 -59.4 -34.8 -8.0 -14.6 31.8 102 131 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.883 106.0 52.8 -70.4 -40.4 -6.1 -11.3 31.7 103 132 A L H X S+ 0 0 11 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.872 102.0 60.4 -63.2 -40.4 -8.1 -10.1 28.7 104 133 A D H X S+ 0 0 67 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.922 105.6 47.3 -42.6 -53.5 -11.4 -10.8 30.5 105 134 A I H X S+ 0 0 5 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.865 111.1 51.7 -65.1 -36.5 -10.5 -8.4 33.2 106 135 A H H X S+ 0 0 3 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.927 111.0 48.2 -65.8 -44.8 -9.5 -5.9 30.6 107 136 A S H X S+ 0 0 30 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.940 105.5 57.9 -55.7 -56.3 -12.9 -6.3 28.8 108 137 A K H < S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 109.4 45.6 -40.4 -50.4 -14.8 -5.9 32.1 109 138 A M H ><>S+ 0 0 16 -4,-1.6 3,-1.5 1,-0.2 5,-1.4 0.895 111.4 51.0 -62.9 -45.0 -13.2 -2.5 32.6 110 139 A L H ><5S+ 0 0 87 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.923 107.1 55.7 -56.5 -45.2 -13.8 -1.5 29.0 111 140 A Q T 3<5S+ 0 0 149 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.299 113.3 41.5 -60.0 1.7 -17.5 -2.5 29.5 112 141 A I T < 5S- 0 0 105 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.036 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4,-2.5 3,-2.4 -2,-0.5 6,-0.0 -0.391 34.1 -97.5 -82.9 161.9 60.7 -3.7 63.8 696 278 B P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.838 127.5 49.7 -56.0 -30.0 64.0 -2.2 65.0 697 279 B D T 3 S- 0 0 125 2,-0.1 -3,-0.0 1,-0.0 0, 0.0 0.528 125.5-102.5 -89.8 -1.4 62.2 1.0 66.3 698 280 B G S < S+ 0 0 16 -3,-2.4 39,-2.4 1,-0.3 40,-0.4 0.385 71.3 145.8 105.3 -7.7 59.7 -1.2 68.1 699 281 B T - 0 0 13 37,-0.2 -4,-2.5 38,-0.1 -1,-0.3 -0.401 51.2-120.6 -65.2 137.0 56.8 -0.9 65.8 700 282 B L E -FG 694 707I 0 7,-0.6 7,-2.2 -6,-0.2 2,-0.4 -0.660 29.5-168.7 -71.3 137.5 54.6 -4.0 65.5 701 283 B S E -FG 693 706I 13 -8,-2.6 -8,-1.4 -2,-0.3 2,-0.4 -0.993 5.4-177.8-130.2 116.9 54.4 -5.4 61.9 702 284 B V E > S-FG 692 705I 0 3,-2.3 3,-2.0 -2,-0.4 -10,-0.2 -0.978 72.8 -10.0-117.4 131.9 51.9 -8.1 61.0 703 285 B D T 3 S- 0 0 86 -12,-2.2 -1,-0.2 -2,-0.4 -11,-0.1 0.923 130.6 -56.8 46.2 52.2 51.7 -9.7 57.6 704 286 B G T 3 S+ 0 0 76 -13,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.519 115.5 117.5 57.8 13.3 54.1 -7.0 56.4 705 287 B Q E < - G 0 702I 65 -3,-2.0 -3,-2.3 -56,-0.0 2,-0.2 -0.901 67.6-121.2-106.5 136.8 51.7 -4.1 57.6 706 288 B A E - G 0 701I 27 -2,-0.3 -56,-2.7 -58,-0.3 2,-0.4 -0.567 28.7-157.2 -79.9 144.5 52.7 -1.6 60.4 707 289 B I E +dG 650 700I 0 -7,-2.2 -7,-0.6 -58,-0.3 -56,-0.2 -0.975 25.5 168.8-127.5 131.0 50.2 -1.8 63.2 708 290 B S E S+ 0 0 0 -58,-1.9 31,-3.4 -2,-0.4 2,-0.4 0.614 73.3 42.5-112.4 -27.4 49.7 1.1 65.7 709 291 B V E -dh 651 739I 0 -59,-0.9 -57,-3.1 29,-0.2 2,-0.6 -0.990 62.1-163.2-124.2 121.2 46.5 -0.2 67.4 710 292 B V E -dh 652 740I 0 29,-2.2 31,-3.7 -2,-0.4 2,-0.8 -0.929 12.5-165.2-105.9 112.6 45.9 -3.9 68.6 711 293 B Y E -dh 653 741I 7 -59,-3.2 -57,-2.4 -2,-0.6 2,-0.4 -0.832 13.0-141.0-106.7 103.3 42.1 -4.4 69.2 712 294 B F E +d 654 0I 0 29,-1.9 -120,-0.3 -2,-0.8 -57,-0.1 -0.509 40.8 151.8 -73.5 122.9 41.4 -7.5 71.2 713 295 B R S S+ 0 0 4 -59,-2.6 -57,-0.4 -2,-0.4 2,-0.3 0.018 76.0 29.5-124.3 16.1 38.3 -9.4 70.1 714 296 B A S S+ 0 0 1 -59,-0.2 -1,-0.2 1,-0.1 -60,-0.1 -0.948 81.4 72.5-159.6 165.4 39.9 -12.7 71.3 715 297 B G + 0 0 0 -2,-0.3 -1,-0.1 2,-0.1 -60,-0.0 0.570 63.5 105.8 99.1 17.8 42.3 -14.0 73.8 716 298 B Y S S+ 0 0 106 -124,-0.1 3,-0.0 -3,-0.1 -125,-0.0 0.396 74.3 60.3-101.7 -3.3 40.2 -13.6 77.0 717 299 B T S > S- 0 0 28 1,-0.1 3,-2.7 -172,-0.0 4,-0.3 -0.964 83.5-124.3-124.6 141.8 39.5 -17.4 77.3 718 300 B P G > S+ 0 0 74 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.840 110.6 71.0 -50.3 -29.0 42.0 -20.3 77.8 719 301 B K G 3 S+ 0 0 190 1,-0.3 0, 0.0 3,-0.1 0, 0.0 0.699 87.8 62.4 -65.6 -16.3 40.3 -21.7 74.7 720 302 B D G < S+ 0 0 22 -3,-2.7 -1,-0.3 1,-0.2 -35,-0.2 0.527 101.5 56.1 -79.9 -10.0 42.0 -19.0 72.6 721 303 B Y < + 0 0 16 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.0 -0.710 55.1 153.9-123.9 74.0 45.4 -20.4 73.6 722 304 B P S S+ 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.592 73.6 2.6 -71.0 -13.1 45.5 -24.1 72.6 723 305 B S S S- 0 0 51 -3,-0.1 4,-0.5 1,-0.0 3,-0.0 -0.770 88.6 -81.0-156.2-170.7 49.3 -24.0 72.3 724 306 B E S > S+ 0 0 87 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.642 110.5 76.9 -87.3 -22.2 52.5 -21.9 72.8 725 307 B S H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.958 98.8 42.2 -41.5 -59.8 51.9 -20.2 69.4 726 308 B E H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.726 111.3 54.9 -68.0 -28.3 49.2 -17.9 70.8 727 309 B W H > S+ 0 0 19 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.892 109.4 49.0 -71.5 -40.3 51.1 -17.2 74.1 728 310 B R H X S+ 0 0 135 -4,-2.2 4,-3.6 2,-0.2 -2,-0.2 0.968 110.7 49.9 -54.9 -55.3 54.1 -16.0 71.9 729 311 B A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.858 110.9 49.7 -50.8 -47.9 51.8 -13.8 69.8 730 312 B R H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.889 114.5 43.4 -61.7 -46.0 50.3 -12.3 73.0 731 313 B L H X S+ 0 0 37 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.900 111.5 55.9 -64.3 -44.7 53.8 -11.6 74.5 732 314 B L H X S+ 0 0 33 -4,-3.6 4,-1.3 1,-0.2 -2,-0.2 0.938 110.7 42.7 -56.2 -52.8 55.1 -10.3 71.2 733 315 B M H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.0 55.6 -66.1 -36.0 52.4 -7.7 70.8 734 316 B E H < S+ 0 0 2 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.960 109.1 45.3 -61.9 -49.7 52.7 -6.7 74.5 735 317 B Q H < S+ 0 0 80 -4,-2.7 -1,-0.2 -5,-0.0 -2,-0.2 0.720 100.8 87.7 -62.3 -29.2 56.4 -6.0 74.3 736 318 B S S < S- 0 0 2 -4,-1.3 -37,-0.2 -5,-0.2 -42,-0.1 -0.104 89.2-116.2 -63.7 173.8 55.9 -4.0 71.0 737 319 B S S S+ 0 0 49 -39,-2.4 -38,-0.1 2,-0.1 -1,-0.1 0.517 73.1 123.2 -92.3 -4.3 55.1 -0.3 71.0 738 320 B A S S- 0 0 0 -40,-0.4 2,-0.4 -5,-0.2 -29,-0.2 -0.275 75.5-106.6 -48.0 146.3 51.6 -0.8 69.4 739 321 B I E -h 709 0I 5 -31,-3.4 -29,-2.2 -99,-0.1 2,-0.4 -0.640 38.1-143.2 -69.6 120.4 48.7 0.7 71.7 740 322 B K E -h 710 0I 2 -2,-0.4 -173,-0.7 -175,-0.3 3,-0.4 -0.817 7.6-130.3 -86.5 135.4 47.0 -2.4 73.1 741 323 B C E S+h 711 0I 5 -31,-3.7 -29,-1.9 1,-0.4 -149,-0.3 -0.784 102.9 1.4-107.4 87.5 43.2 -2.3 73.5 742 324 B P S S- 0 0 2 0, 0.0 -1,-0.4 0, 0.0 -174,-0.1 0.615 90.6-136.4-100.7 175.4 43.6 -3.3 76.4 743 325 B T > - 0 0 5 -3,-0.4 4,-1.7 -176,-0.3 5,-0.1 -0.120 38.0 -96.2 -68.7 179.1 47.1 -3.9 77.8 744 326 B I H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -191,-0.1 0.865 124.4 59.7 -63.9 -33.2 47.9 -7.1 79.9 745 327 B S H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 105.3 47.0 -62.4 -44.7 47.4 -5.0 83.1 746 328 B Y H > S+ 0 0 3 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.884 105.5 57.7 -61.0 -50.3 43.8 -4.2 82.2 747 329 B H H >X S+ 0 0 11 -4,-1.7 3,-1.5 1,-0.2 4,-0.8 0.991 110.5 49.4 -41.1 -51.0 43.1 -7.9 81.3 748 330 B L H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.3 6,-0.3 0.820 101.6 57.0 -62.8 -38.7 44.2 -8.4 85.0 749 331 B V H 3< S+ 0 0 2 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.750 109.8 49.1 -64.2 -24.3 42.0 -5.8 86.6 750 332 B G H << S+ 0 0 10 -3,-1.5 -162,-0.3 -4,-1.2 -1,-0.2 0.594 84.3 110.2 -95.0 -13.3 39.0 -7.6 85.1 751 333 B T S S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 115.8 50.5 -44.2 -63.2 37.6 -13.0 88.8 753 335 B K H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.777 117.5 37.5 -49.8 -48.0 40.3 -12.9 91.7 754 336 B I H > S+ 0 0 0 -6,-0.3 4,-2.0 2,-0.2 5,-0.3 0.858 110.6 59.2 -70.9 -52.5 41.1 -9.1 91.3 755 337 B Q H < S+ 0 0 32 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.861 111.3 43.8 -40.9 -48.1 37.5 -8.1 90.5 756 338 B Q H >X S+ 0 0 24 -4,-2.4 4,-1.2 -5,-0.2 3,-1.2 0.933 108.7 59.3 -59.1 -50.9 36.7 -9.6 94.0 757 339 B E H 3< S+ 0 0 38 -4,-1.6 6,-0.2 1,-0.3 3,-0.2 0.838 102.3 49.0 -55.2 -44.7 39.7 -8.0 95.7 758 340 B L T 3< S+ 0 0 6 -4,-2.0 6,-0.7 1,-0.2 -1,-0.3 0.760 106.4 61.5 -60.1 -27.2 38.9 -4.3 95.0 759 341 B A T <4 S+ 0 0 10 -3,-1.2 25,-0.2 -4,-0.5 -1,-0.2 0.864 83.1 90.0 -77.4 -39.1 35.4 -5.0 96.3 760 342 B K S X S- 0 0 22 -4,-1.2 4,-0.6 -3,-0.2 3,-0.2 0.031 99.7 -71.3 -47.3 159.6 36.4 -6.0 99.9 761 343 B P T 4 S+ 0 0 99 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.388 111.1 3.3 -66.8 141.2 36.5 -3.1 102.4 762 344 B G T >> S+ 0 0 40 -3,-0.1 3,-2.2 1,-0.1 4,-0.7 -0.195 99.0 95.4 88.4 -44.3 39.5 -0.5 102.0 763 345 B V H >> S+ 0 0 16 -2,-0.9 3,-1.2 1,-0.3 4,-0.6 0.885 81.8 61.2 -41.3 -47.9 41.1 -1.9 98.8 764 346 B L H 3< S+ 0 0 0 -6,-0.7 -1,-0.3 -4,-0.6 4,-0.3 0.606 93.5 61.5 -58.2 -20.5 39.1 0.7 96.9 765 347 B E H <4 S+ 0 0 80 -3,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.720 93.6 64.5 -82.8 -22.1 40.6 3.8 98.7 766 348 B R H << S+ 0 0 124 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.837 110.4 36.0 -70.3 -33.6 44.1 3.0 97.4 767 349 B F S < S+ 0 0 5 -4,-0.6 2,-0.4 -3,-0.1 -1,-0.2 0.317 112.7 59.5-103.4 6.1 43.1 3.5 93.7 768 350 B V + 0 0 15 -3,-0.4 -1,-0.1 -4,-0.3 -245,-0.0 -0.987 42.5 177.4-140.2 135.2 40.5 6.5 94.0 769 351 B E + 0 0 121 -2,-0.4 -1,-0.1 -3,-0.0 5,-0.1 0.913 62.1 84.1 -97.5 -59.4 40.8 9.9 95.3 770 352 B N > - 0 0 71 1,-0.2 4,-1.7 3,-0.1 3,-0.2 -0.191 63.5-156.6 -46.8 115.2 37.3 11.5 94.6 771 353 B K H > S+ 0 0 153 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.695 92.6 56.9 -82.4 -18.9 35.2 10.5 97.6 772 354 B D H > S+ 0 0 100 2,-0.2 4,-2.8 3,-0.1 -1,-0.3 0.862 107.2 49.4 -57.7 -45.7 32.0 11.0 95.7 773 355 B H H > S+ 0 0 64 1,-0.3 4,-1.7 2,-0.3 -2,-0.2 0.785 109.1 51.9 -75.8 -32.7 33.4 8.5 93.1 774 356 B I H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.858 110.6 49.1 -66.2 -36.4 34.1 6.2 96.0 775 357 B A H X S+ 0 0 59 -4,-1.2 4,-2.9 2,-0.2 -2,-0.3 0.961 110.4 49.3 -66.0 -44.0 30.5 6.6 97.1 776 358 B K H X S+ 0 0 78 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.890 114.5 45.6 -59.8 -39.7 29.1 5.9 93.6 777 359 B L H >X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 3,-0.7 0.930 110.6 50.9 -74.6 -47.5 31.2 2.8 93.3 778 360 B R H >< S+ 0 0 78 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.934 106.4 58.1 -55.8 -47.9 30.4 1.5 96.8 779 361 B A H 3< S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.788 113.2 37.0 -43.4 -40.3 26.7 2.0 96.1 780 362 B C H << S+ 0 0 2 -4,-1.1 -195,-3.2 -3,-0.7 2,-0.6 0.475 98.9 102.2 -97.9 -2.6 26.8 -0.4 93.0 781 363 B F << - 0 0 24 -4,-0.9 2,-0.4 -3,-0.8 3,-0.1 -0.753 68.1-146.7 -78.0 121.5 29.3 -2.5 94.9 782 364 B A - 0 0 3 -2,-0.6 -2,-0.1 -197,-0.3 34,-0.1 -0.711 41.5 -75.3 -87.0 137.8 27.5 -5.5 96.3 783 365 B G - 0 0 17 -2,-0.4 31,-2.1 30,-0.2 2,-0.3 0.039 61.3-178.8 -32.8 128.8 28.7 -6.9 99.6 784 366 B L E +I 813 0J 20 29,-0.3 29,-0.2 -25,-0.2 2,-0.2 -0.991 10.1 137.0-149.6 132.2 32.0 -8.7 99.0 785 367 B W E +I 812 0J 53 27,-2.2 27,-1.1 -2,-0.3 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