==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUN-10 2XGO . COMPND 2 MOLECULE: XCOGT; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS; . AUTHOR H.C.DORFMUELLER,V.S.BORODKIN,D.E.BLAIR,S.PATHAK,I.NAVRATILOV . 1089 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 788 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 76 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 412 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.0 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 1 1 5 2 4 0 2 12 4 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 11 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 21 A Q 0 0 194 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.7 -21.6 -2.6 2.8 2 22 A D - 0 0 128 30,-0.0 2,-0.2 0, 0.0 27,-0.0 -0.425 360.0 -56.5 178.8 118.9 -20.1 -6.2 2.1 3 23 A F S >> S+ 0 0 63 -2,-0.1 3,-1.2 25,-0.1 4,-1.0 -0.918 100.7 32.7-153.3 -51.1 -17.3 -7.3 1.2 4 24 A V H 3> S+ 0 0 97 1,-0.3 4,-0.8 2,-0.2 25,-0.0 0.623 112.9 70.0 -64.2 -13.8 -14.5 -7.2 -1.5 5 25 A A H 3> S+ 0 0 55 2,-0.2 4,-3.2 3,-0.2 -1,-0.3 0.894 93.5 56.7 -59.8 -46.6 -15.7 -3.6 -1.7 6 26 A W H <> S+ 0 0 62 -3,-1.2 4,-1.8 1,-0.3 3,-0.2 0.965 109.7 39.4 -48.8 -66.7 -14.1 -3.2 1.7 7 27 A L H X S+ 0 0 6 -4,-1.0 4,-1.1 1,-0.3 -1,-0.3 0.750 115.8 58.2 -59.2 -24.0 -10.6 -4.3 0.8 8 28 A M H >X S+ 0 0 120 -4,-0.8 3,-0.8 -5,-0.2 4,-0.6 0.957 101.8 49.5 -72.7 -49.9 -11.2 -2.4 -2.4 9 29 A L H 3< S+ 0 0 98 -4,-3.2 3,-0.4 1,-0.3 5,-0.2 0.793 110.1 54.7 -60.5 -30.5 -12.0 1.0 -0.8 10 30 A A H >X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 3,-1.0 0.859 97.0 64.5 -66.0 -37.5 -8.8 0.5 1.2 11 31 A D H << S+ 0 0 63 -4,-1.1 4,-0.4 -3,-0.8 -1,-0.2 0.621 115.4 27.5 -67.8 -19.0 -6.7 -0.1 -2.1 12 32 A A T 3< S+ 0 0 60 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 -0.463 112.8 57.1-157.2 63.3 -7.3 3.5 -3.2 13 33 A E T X4>S+ 0 0 56 -3,-1.0 3,-1.2 5,-0.1 5,-0.6 -0.177 112.1 49.8-110.1 -37.6 -7.8 5.6 -0.4 14 34 A L G ><5S+ 0 0 14 -4,-1.7 3,-1.9 1,-0.3 2,-0.9 0.949 110.9 41.8 -61.5 -64.4 -4.4 4.3 0.7 15 35 A G G 3 5S+ 0 0 74 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.1 -0.127 108.4 66.2 -77.7 38.3 -2.2 4.9 -2.4 16 36 A M G < 5S- 0 0 157 -3,-1.2 -1,-0.3 -2,-0.9 2,-0.3 0.110 122.3-103.4-134.9 7.2 -4.0 8.2 -2.8 17 37 A G T < 5S+ 0 0 59 -3,-1.9 2,-1.1 1,-0.1 -3,-0.1 -0.414 91.7 106.5 102.4 -46.8 -2.4 9.5 0.5 18 38 A D >< + 0 0 93 -5,-0.6 4,-0.7 -2,-0.3 2,-0.7 -0.532 43.5 177.0 -76.8 98.5 -5.3 9.2 3.0 19 39 A T T 4 + 0 0 26 -2,-1.1 -1,-0.1 2,-0.2 -5,-0.1 -0.646 65.5 41.7-109.5 68.3 -4.5 6.3 5.2 20 40 A T T > S+ 0 0 65 -2,-0.7 4,-1.3 3,-0.0 -1,-0.2 0.167 105.9 60.3-175.3 -11.6 -7.1 5.8 7.9 21 41 A A T 4 S+ 0 0 26 2,-0.1 4,-0.3 -3,-0.1 -2,-0.2 0.741 116.2 41.7 -45.7 -54.4 -9.9 6.4 5.8 22 42 A G T >X S+ 0 0 0 -4,-0.7 3,-2.8 2,-0.2 4,-1.2 0.983 112.5 50.9 -56.8 -63.9 -7.9 3.4 4.5 23 43 A E H 3> S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.853 102.1 60.8 -48.2 -48.6 -7.2 1.8 7.9 24 44 A M H 3< S+ 0 0 103 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.666 106.7 50.1 -49.6 -23.7 -10.9 1.9 8.9 25 45 A A H X> S+ 0 0 1 -3,-2.8 4,-1.1 -4,-0.3 3,-0.9 0.915 107.2 45.9 -89.2 -52.3 -11.7 -0.3 5.9 26 46 A V H >X S+ 0 0 1 -4,-1.2 4,-2.9 1,-0.3 3,-1.2 0.933 108.2 59.6 -54.3 -48.5 -9.2 -3.2 6.2 27 47 A Q H 3< S+ 0 0 74 -4,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.720 107.9 46.8 -55.6 -22.0 -10.1 -3.5 9.8 28 48 A R H <> S+ 0 0 104 -3,-0.9 4,-1.2 -5,-0.3 -1,-0.3 0.634 104.4 58.7 -95.0 -17.7 -13.6 -4.1 8.5 29 49 A G H XX S+ 0 0 0 -3,-1.2 4,-2.6 -4,-1.1 3,-1.0 0.961 106.8 48.7 -64.1 -55.5 -12.3 -6.6 5.9 30 50 A L H 3< S+ 0 0 36 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.808 102.3 66.5 -44.6 -37.7 -11.0 -8.5 8.9 31 51 A A H 34 S+ 0 0 73 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.919 111.4 30.7 -52.8 -47.3 -14.5 -7.9 10.3 32 52 A L H << S+ 0 0 77 -4,-1.2 -2,-0.2 -3,-1.0 -1,-0.1 0.936 134.5 25.8 -82.8 -51.3 -16.1 -10.2 7.7 33 53 A H S < S- 0 0 90 -4,-2.6 2,-0.6 -5,-0.1 3,-0.3 -0.968 83.7-142.0-113.5 113.5 -13.2 -12.6 7.1 34 54 A P S S- 0 0 114 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.683 77.3 -11.5 -82.5 116.7 -11.0 -12.9 10.1 35 55 A G S S+ 0 0 55 -2,-0.6 3,-0.1 1,-0.2 -5,-0.0 0.986 82.0 168.5 55.6 87.2 -7.3 -13.2 9.1 36 56 A H >> - 0 0 66 -3,-0.3 4,-2.6 1,-0.1 3,-2.1 -0.998 43.8-121.1-135.5 126.9 -7.5 -13.9 5.2 37 57 A P H 3> S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.753 114.0 47.5 -40.2 -42.5 -4.4 -13.7 3.1 38 58 A E H 34 S+ 0 0 76 2,-0.2 4,-0.4 1,-0.2 25,-0.0 0.836 121.9 36.1 -71.8 -32.9 -5.9 -11.0 0.9 39 59 A A H X> S+ 0 0 2 -3,-2.1 4,-1.5 2,-0.2 3,-1.2 0.932 115.3 52.8 -82.2 -55.6 -7.0 -9.0 3.9 40 60 A V H >X S+ 0 0 12 -4,-2.6 3,-1.4 1,-0.3 4,-1.4 0.946 105.7 55.3 -39.0 -64.9 -4.0 -9.7 6.2 41 61 A A H 3X S+ 0 0 2 -4,-2.1 4,-0.8 1,-0.3 -1,-0.3 0.804 106.0 54.9 -42.5 -33.5 -1.6 -8.7 3.5 42 62 A R H <> S+ 0 0 29 -3,-1.2 4,-1.6 -4,-0.4 -1,-0.3 0.835 102.4 51.5 -80.1 -30.8 -3.4 -5.4 3.4 43 63 A L H XX S+ 0 0 21 -4,-1.5 4,-1.5 -3,-1.4 3,-1.4 0.994 109.2 54.6 -59.6 -65.1 -3.1 -4.5 7.1 44 64 A G H 3X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.3 0.741 104.2 55.2 -8.3 -56.5 0.4 -5.2 6.5 45 65 A R H 3X S+ 0 0 39 -4,-0.8 4,-1.8 -5,-0.3 -1,-0.2 0.825 103.7 51.7 -77.2 -29.3 0.2 -2.6 3.7 46 66 A V H XX S+ 0 0 0 -4,-1.6 4,-3.4 -3,-1.4 3,-0.8 1.000 106.1 54.4 -62.1 -69.2 -1.1 0.2 5.9 47 67 A R H 3<>S+ 0 0 21 -4,-1.5 5,-2.8 1,-0.3 6,-0.3 0.821 107.0 54.7 -19.8 -60.0 1.7 -0.3 8.5 48 68 A W H ><5S+ 0 0 60 -4,-1.6 3,-1.6 1,-0.2 5,-0.3 0.918 112.3 38.0 -52.9 -55.0 4.0 0.1 5.5 49 69 A T H <<5S+ 0 0 57 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.827 114.1 61.0 -64.0 -30.3 2.6 3.6 4.3 50 70 A Q T 3<5S- 0 0 40 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.182 116.0-119.0 -80.8 12.2 2.3 4.3 8.0 51 71 A Q T < 5S+ 0 0 144 -3,-1.6 -3,-0.2 -5,-0.3 3,-0.2 0.617 81.4 121.9 63.9 12.6 6.0 3.9 8.5 52 72 A R >>< + 0 0 64 -5,-2.8 3,-2.0 -6,-0.2 4,-0.9 -0.145 29.1 157.9-101.1 41.6 5.5 1.0 10.9 53 73 A H H 3> + 0 0 37 1,-0.3 4,-2.0 -5,-0.3 -1,-0.2 0.615 60.9 63.2 -38.8 -33.9 7.6 -1.4 8.7 54 74 A A H 3> S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.900 104.2 46.3 -69.6 -40.7 8.4 -3.9 11.5 55 75 A E H <> S+ 0 0 58 -3,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.873 108.6 60.3 -64.0 -40.1 4.8 -4.8 12.1 56 76 A A H X S+ 0 0 0 -4,-0.9 4,-2.6 1,-0.2 3,-0.4 0.939 97.1 54.9 -57.1 -56.2 4.3 -5.2 8.3 57 77 A A H X S+ 0 0 10 -4,-2.0 4,-2.6 1,-0.3 -1,-0.2 0.865 107.8 50.7 -51.0 -43.0 6.8 -7.9 7.6 58 78 A V H X S+ 0 0 98 -4,-1.0 4,-1.1 2,-0.2 -1,-0.3 0.905 114.6 42.7 -60.9 -47.0 5.2 -10.2 10.2 59 79 A L H >X S+ 0 0 37 -4,-1.7 4,-2.0 -3,-0.4 3,-1.1 0.977 116.1 47.0 -62.4 -60.8 1.7 -9.8 8.8 60 80 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.869 108.9 56.7 -49.8 -40.0 2.8 -10.0 5.2 61 81 A Q H 3X S+ 0 0 77 -4,-2.6 4,-1.3 -5,-0.4 -1,-0.3 0.812 106.5 49.9 -65.9 -27.9 4.9 -13.1 6.1 62 82 A Q H X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.2 3,-0.7 0.960 110.5 53.7 -53.5 -58.6 -0.3 -14.1 4.3 64 84 A S H 3< S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.3 6,-0.2 0.847 107.2 51.3 -43.0 -44.8 2.6 -15.3 2.1 65 85 A D H 3< S+ 0 0 98 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.862 112.8 45.1 -70.0 -34.0 2.8 -18.6 3.9 66 86 A A H << S+ 0 0 70 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.664 128.9 28.2 -78.7 -19.7 -0.9 -19.2 3.5 67 87 A A >< + 0 0 7 -4,-1.7 3,-2.6 -5,-0.2 -1,-0.2 -0.453 64.8 160.7-140.4 65.5 -0.7 -18.1 -0.2 68 88 A P T 3 S+ 0 0 68 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.589 79.1 59.1 -69.1 -8.4 2.8 -18.9 -1.5 69 89 A E T 3 S+ 0 0 126 -3,-0.1 -5,-0.1 -5,-0.1 -2,-0.0 0.460 79.9 103.7 -90.6 -2.6 1.3 -18.7 -4.9 70 90 A H <> - 0 0 42 -3,-2.6 4,-2.0 -6,-0.2 5,-0.1 -0.715 46.0-176.1 -90.6 112.3 0.1 -15.1 -4.5 71 91 A P H > S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.786 80.9 60.2 -80.2 -30.5 2.5 -12.7 -6.4 72 92 A G H > S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.944 112.3 43.7 -53.7 -46.5 0.8 -9.4 -5.3 73 93 A I H > S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.910 107.5 56.3 -65.2 -49.3 1.7 -10.6 -1.8 74 94 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.859 109.9 48.8 -51.4 -35.9 5.2 -11.7 -2.6 75 95 A L H X S+ 0 0 26 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.889 111.2 47.6 -75.2 -39.4 5.8 -8.2 -3.9 76 96 A W H X S+ 0 0 60 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.913 109.7 53.4 -71.8 -37.4 4.4 -6.6 -0.8 77 97 A L H X S+ 0 0 5 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.898 109.4 49.7 -54.3 -46.1 6.4 -8.8 1.4 78 98 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.916 109.3 50.0 -61.0 -47.0 9.5 -7.8 -0.4 79 99 A H H X S+ 0 0 20 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.960 115.8 45.0 -55.9 -52.5 8.8 -4.1 -0.1 80 100 A A H >X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 3,-0.6 0.970 112.6 46.7 -55.3 -73.8 8.2 -4.6 3.6 81 101 A L H 3<>S+ 0 0 9 -4,-2.3 5,-3.2 1,-0.3 3,-0.3 0.784 112.4 54.6 -33.8 -42.9 11.3 -6.8 4.4 82 102 A E H ><5S+ 0 0 56 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.3 0.965 111.0 42.2 -61.2 -50.7 13.3 -4.3 2.4 83 103 A D H <<5S+ 0 0 64 -4,-2.4 -2,-0.2 -3,-0.6 -1,-0.2 0.430 109.8 59.8 -81.1 1.5 12.1 -1.4 4.5 84 104 A A T 3<5S- 0 0 36 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 -0.008 119.5-112.8-107.5 23.4 12.6 -3.6 7.6 85 105 A G T < 5S+ 0 0 72 -3,-1.5 2,-0.6 -5,-0.2 -3,-0.2 0.691 77.4 131.5 52.9 27.4 16.3 -3.9 6.7 86 106 A Q >< + 0 0 104 -5,-3.2 4,-2.4 1,-0.2 3,-0.5 -0.525 26.4 169.2-101.7 66.7 16.1 -7.6 5.9 87 107 A A H > + 0 0 13 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.818 68.1 47.6 -45.2 -52.9 17.9 -7.4 2.6 88 108 A E H > S+ 0 0 52 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.854 115.3 43.9 -69.0 -38.1 18.5 -11.2 1.9 89 109 A A H > S+ 0 0 38 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.809 108.5 60.0 -74.4 -31.1 14.9 -12.3 2.6 90 110 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.944 106.6 46.2 -59.2 -47.1 13.6 -9.3 0.7 91 111 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.788 107.0 60.1 -62.9 -29.6 15.4 -10.6 -2.5 92 112 A A H X S+ 0 0 58 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.952 107.3 44.4 -62.9 -47.7 14.0 -14.0 -1.7 93 113 A A H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.924 111.9 51.6 -64.8 -46.0 10.5 -12.7 -2.0 94 114 A Y H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.867 108.7 53.7 -57.6 -36.6 11.2 -10.7 -5.1 95 115 A T H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.945 109.3 46.1 -63.5 -48.4 12.7 -13.9 -6.6 96 116 A R H X S+ 0 0 65 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.935 110.4 54.1 -62.2 -45.0 9.5 -15.9 -5.9 97 117 A A H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.868 109.6 48.2 -53.7 -40.7 7.4 -13.1 -7.3 98 118 A H H < S+ 0 0 28 -4,-1.8 3,-0.4 2,-0.2 -1,-0.2 0.901 106.5 55.8 -69.2 -41.5 9.4 -13.2 -10.5 99 119 A Q H < S+ 0 0 126 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.4 44.2 -49.5 -38.2 9.0 -17.0 -10.6 100 120 A L H < S+ 0 0 63 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.642 123.6 31.3 -91.7 -18.4 5.3 -16.3 -10.5 101 121 A L >< + 0 0 56 -4,-1.2 3,-2.4 -3,-0.4 -1,-0.2 -0.381 63.0 167.7-137.8 66.9 5.1 -13.5 -13.1 102 122 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.704 80.7 46.6 -47.6 -32.3 7.9 -14.0 -15.7 103 123 A E T 3 S+ 0 0 136 4,-0.0 3,-0.1 5,-0.0 -5,-0.1 0.531 81.1 108.0 -93.2 -8.4 6.4 -11.3 -18.0 104 124 A E <> - 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0 0 23 -25,-2.1 6,-0.1 -2,-0.6 -3,-0.0 -0.798 32.0-121.2-114.7 154.3 42.7 4.2 -20.2 487 507 A A S S- 0 0 101 -2,-0.3 2,-0.3 -25,-0.1 -1,-0.1 0.792 79.9 -22.7 -62.4 -35.4 41.1 2.8 -23.3 488 508 A D S > S- 0 0 89 1,-0.1 4,-2.6 -27,-0.1 3,-0.1 -0.927 76.8 -69.5-163.8-176.3 39.8 -0.5 -21.9 489 509 A D H > S+ 0 0 55 -2,-0.3 4,-2.0 1,-0.2 5,-0.3 0.921 124.2 50.2 -55.9 -52.2 39.8 -3.3 -19.2 490 510 A A H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 112.6 47.8 -56.4 -41.3 43.2 -4.7 -20.3 491 511 A A H > S+ 0 0 31 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.901 108.3 56.3 -66.2 -43.1 44.8 -1.3 -20.3 492 512 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.975 112.1 40.0 -46.6 -70.5 43.2 -0.6 -16.8 493 513 A V H X S+ 0 0 19 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.896 115.4 52.9 -46.1 -50.0 44.9 -3.7 -15.2 494 514 A A H X S+ 0 0 60 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.967 113.6 43.5 -53.0 -52.2 48.1 -3.1 -17.1 495 515 A K H X S+ 0 0 64 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.910 117.2 43.9 -62.2 -49.5 48.2 0.5 -15.8 496 516 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 -1,-0.2 0.847 113.6 52.0 -63.9 -37.3 47.3 -0.4 -12.2 497 517 A V H X S+ 0 0 26 -4,-3.2 4,-2.4 -5,-0.3 5,-0.3 0.981 109.7 48.7 -62.6 -52.1 49.6 -3.3 -12.2 498 518 A A H X S+ 0 0 59 -4,-2.8 4,-0.7 -5,-0.3 -2,-0.2 0.883 115.9 45.9 -53.2 -41.6 52.5 -1.1 -13.4 499 519 A L H >< S+ 0 0 12 -4,-2.1 3,-0.7 -5,-0.2 7,-0.4 0.961 112.4 47.0 -66.5 -55.3 51.6 1.4 -10.7 500 520 A A H 3< S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.865 114.0 46.3 -54.7 -45.8 51.2 -1.0 -7.8 501 521 A S H 3< S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.556 106.6 63.8 -83.1 -9.7 54.4 -2.9 -8.4 502 522 A D S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.828 80.4 59.6 -56.7 -34.2 56.3 2.1 -5.5 504 524 A A H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.956 110.4 38.7 -56.0 -52.9 58.7 4.7 -6.9 505 525 A A H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 113.4 57.3 -70.9 -36.3 56.3 5.6 -9.7 506 526 A L H X S+ 0 0 11 -4,-2.3 4,-2.2 -7,-0.4 -1,-0.2 0.903 106.9 47.1 -59.3 -48.2 53.3 5.3 -7.4 507 527 A T H X S+ 0 0 94 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.816 108.3 56.0 -65.6 -35.1 54.7 7.9 -5.0 508 528 A A H X S+ 0 0 60 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.913 107.8 50.7 -58.8 -43.4 55.5 10.2 -7.8 509 529 A L H X S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.890 107.3 49.8 -66.6 -44.4 51.9 10.0 -8.8 510 530 A H H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.970 112.6 50.3 -55.8 -47.4 50.5 10.8 -5.3 511 531 A A H X S+ 0 0 57 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.905 110.3 49.0 -55.3 -45.0 52.9 13.8 -5.4 512 532 A R H X S+ 0 0 96 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.871 107.0 55.2 -65.7 -37.7 51.6 14.8 -8.8 513 533 A V H X S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.969 105.9 54.3 -58.2 -50.8 48.0 14.5 -7.6 514 534 A D H X S+ 0 0 75 -4,-2.5 4,-1.5 -58,-0.2 5,-0.3 0.927 106.9 48.2 -49.7 -53.0 48.9 16.9 -4.8 515 535 A V H >X S+ 0 0 79 -4,-2.0 4,-2.8 1,-0.2 3,-0.7 0.962 115.6 44.5 -53.1 -52.4 50.3 19.6 -7.1 516 536 A L H 3X S+ 0 0 34 -4,-2.1 4,-2.5 1,-0.3 7,-0.2 0.879 103.0 66.6 -64.2 -37.1 47.3 19.5 -9.4 517 537 A R H 3< S+ 0 0 64 -4,-3.1 6,-0.3 -5,-0.2 -1,-0.3 0.913 116.0 26.5 -46.8 -50.3 44.9 19.4 -6.5 518 538 A R H << S+ 0 0 157 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.807 123.9 51.7 -86.8 -32.4 45.9 23.0 -5.6 519 539 A A H < S+ 0 0 73 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.942 95.7 72.0 -70.0 -49.7 47.0 24.2 -9.0 520 540 A S S >< S- 0 0 22 -4,-2.5 3,-0.6 -5,-0.2 -41,-0.1 -0.108 80.8-121.7 -76.2 167.2 43.9 23.3 -11.3 521 541 A G G > S+ 0 0 53 -43,-0.3 3,-1.6 1,-0.2 7,-0.2 0.573 95.8 86.5 -81.4 -9.1 40.5 25.0 -11.3 522 542 A V G 3 S+ 0 0 12 -44,-0.4 -1,-0.2 1,-0.3 -186,-0.1 0.808 99.5 33.9 -60.2 -34.3 38.7 21.7 -10.5 523 543 A F G < S+ 0 0 19 -3,-0.6 2,-0.4 -6,-0.3 -1,-0.3 -0.156 96.2 96.6-113.4 34.7 39.2 22.3 -6.7 524 544 A H X> - 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0 0 65 0, 0.0 2,-0.3 0, 0.0 33,-0.2 -0.158 68.3-103.0 -57.7 141.5 45.3 30.5 33.0 728 206 B L E -m 760 0E 0 31,-1.6 33,-2.4 1,-0.1 2,-0.8 -0.493 23.9-142.9 -76.0 124.6 43.5 27.5 34.3 729 207 B R E -m 761 0E 77 -2,-0.3 77,-2.9 75,-0.3 78,-1.9 -0.773 24.0-178.2 -91.2 107.8 43.6 24.3 32.1 730 208 B V E -mn 762 807E 0 31,-2.7 33,-2.7 -2,-0.8 2,-0.3 -0.938 4.7-167.2-115.5 121.4 40.2 22.7 32.5 731 209 B G E -mn 763 808E 0 76,-3.1 78,-3.9 -2,-0.5 2,-0.4 -0.749 14.0-164.4-115.4 156.8 39.5 19.4 30.7 732 210 B F E -mn 764 809E 0 31,-2.0 33,-3.3 -2,-0.3 2,-0.5 -0.983 8.3-158.1-139.0 120.6 36.5 17.3 29.9 733 211 B V E +mn 765 810E 1 76,-2.7 78,-2.3 -2,-0.4 2,-0.3 -0.884 31.6 138.9-103.1 132.7 36.7 13.7 28.8 734 212 B S E -m 766 0E 0 31,-2.0 33,-3.1 -2,-0.5 34,-0.4 -0.992 52.8-150.0-164.2 162.1 33.8 12.3 26.9 735 213 B N S S+ 0 0 40 76,-0.4 77,-0.1 -2,-0.3 31,-0.1 0.174 92.9 77.2-115.4 9.1 32.5 10.1 24.0 736 214 B G + 0 0 4 75,-0.3 2,-1.8 2,-0.1 7,-1.4 0.187 53.2 123.4-103.3 12.2 29.4 12.3 23.8 737 215 B F S S+ 0 0 0 5,-0.1 2,-0.3 2,-0.1 34,-0.2 -0.522 73.8 30.6 -81.8 84.6 31.0 15.2 22.0 738 216 B G S S- 0 0 0 -2,-1.8 2,-1.8 2,-0.3 -2,-0.1 -0.898 126.7 -9.0 160.9-145.2 28.7 15.2 19.0 739 217 B A S S+ 0 0 56 -2,-0.3 -2,-0.1 4,-0.1 3,-0.1 -0.487 104.2 95.7 -88.7 74.2 25.1 14.3 18.6 740 218 B H S > S- 0 0 85 -2,-1.8 4,-2.4 -4,-0.5 -2,-0.3 -0.944 90.5 -88.6-152.0 162.0 24.6 12.7 22.1 741 219 B P H > S+ 0 0 74 0, 0.0 4,-1.3 0, 0.0 5,-0.3 0.894 121.6 51.9 -46.3 -53.4 23.3 14.0 25.4 742 220 B T H >> S+ 0 0 16 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.928 113.3 43.6 -54.1 -49.0 26.7 15.3 26.7 743 221 B G H 3> S+ 0 0 0 -7,-1.4 4,-1.0 1,-0.3 -1,-0.3 0.886 112.5 54.4 -63.9 -35.6 27.3 17.3 23.7 744 222 B L H 3< S+ 0 0 14 -4,-2.4 135,-0.7 1,-0.2 -1,-0.3 0.636 112.2 42.3 -70.8 -19.0 23.8 18.5 23.6 745 223 B L H << S+ 0 0 8 -4,-1.3 4,-0.3 -3,-1.1 -1,-0.2 0.728 118.6 40.3-102.4 -26.4 23.9 19.8 27.2 746 224 B T H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 5,-0.3 0.545 89.0 89.9-101.4 -8.5 27.3 21.4 27.3 747 225 B V H X S+ 0 0 0 -4,-1.0 4,-1.4 1,-0.2 -1,-0.1 0.941 94.2 36.9 -61.8 -52.1 27.4 23.1 23.9 748 226 B A H > S+ 0 0 9 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.771 114.8 60.0 -70.9 -27.9 25.9 26.5 24.7 749 227 B L H > S+ 0 0 1 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.972 106.4 43.9 -62.1 -52.4 27.7 26.3 28.1 750 228 B F H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.776 110.8 56.5 -68.0 -25.7 31.2 26.1 26.5 751 229 B E H X S+ 0 0 61 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.951 110.1 44.6 -65.0 -48.8 30.2 28.8 24.1 752 230 B A H X S+ 0 0 0 -4,-2.2 4,-3.9 1,-0.2 5,-0.3 0.914 111.6 52.8 -60.5 -45.7 29.3 31.1 27.0 753 231 B L H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.3 7,-0.2 0.905 106.6 52.2 -57.1 -47.5 32.5 30.1 28.8 754 232 B Q H < S+ 0 0 114 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.887 119.0 38.6 -56.2 -39.1 34.7 31.0 25.8 755 233 B R H < S+ 0 0 148 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.933 129.4 25.9 -75.5 -47.7 32.9 34.3 25.8 756 234 B R H < S+ 0 0 107 -4,-3.9 -3,-0.2 1,-0.2 -2,-0.2 0.780 118.8 47.5 -98.1 -35.2 32.6 35.1 29.5 757 235 B Q >< + 0 0 22 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.2 -0.629 58.0 162.4-107.0 76.1 35.4 33.3 31.4 758 236 B P T 3 + 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.570 69.7 67.8 -71.9 -8.0 38.4 34.2 29.3 759 237 B D T 3 S+ 0 0 80 -3,-0.1 -31,-1.6 1,-0.1 2,-0.6 0.399 87.7 80.9 -87.7 0.3 40.8 33.2 32.2 760 238 B L E < -m 728 0E 13 -3,-1.8 2,-0.8 -7,-0.2 -31,-0.2 -0.937 69.4-153.1-115.5 114.7 39.7 29.5 31.7 761 239 B Q E -m 729 0E 77 -33,-2.4 -31,-2.7 -2,-0.6 2,-0.4 -0.776 18.7-150.8 -89.4 110.4 41.4 27.5 29.0 762 240 B M E -m 730 0E 12 -2,-0.8 22,-1.8 -33,-0.2 2,-0.5 -0.718 14.8-175.5 -94.3 130.6 38.9 24.8 28.0 763 241 B H E -mo 731 784E 11 -33,-2.7 -31,-2.0 -2,-0.4 2,-0.5 -0.953 7.3-162.4-130.7 115.1 40.0 21.4 26.6 764 242 B L E -mo 732 785E 0 20,-2.7 22,-3.1 -2,-0.5 2,-0.8 -0.826 5.6-156.2-101.1 133.7 37.7 18.7 25.4 765 243 B F E -mo 733 786E 0 -33,-3.3 -31,-2.0 -2,-0.5 2,-0.5 -0.839 12.9-156.1-110.7 95.0 39.0 15.2 25.1 766 244 B A E -mo 734 787E 0 20,-2.2 22,-2.7 -2,-0.8 23,-0.8 -0.568 20.5-179.5 -79.4 122.4 37.0 13.4 22.5 767 245 B T S S+ 0 0 12 -33,-3.1 2,-0.4 -2,-0.5 23,-0.3 0.222 74.2 62.1 -99.8 12.0 36.9 9.6 22.7 768 246 B S S S- 0 0 28 -34,-0.4 21,-0.1 21,-0.1 20,-0.1 -0.995 86.8-119.0-133.0 143.7 34.7 9.5 19.7 769 247 B G - 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