==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-MAR-11 3R9G . COMPND 2 MOLECULE: MCCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.K.NAIR,V.AGARWAL . 355 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 80.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 0 0 2 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 0 0 4 4 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 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 4 A D > 0 0 124 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.2 37.5 16.2 8.5 2 5 A V T 3 + 0 0 135 1,-0.3 8,-0.1 3,-0.0 0, 0.0 0.595 360.0 70.1 -68.8 -11.6 36.4 12.5 8.0 3 6 A S T 3 S+ 0 0 15 1,-0.1 7,-3.0 6,-0.1 2,-1.1 0.681 82.6 79.9 -77.7 -17.1 39.9 11.6 6.5 4 7 A L B < +A 9 0A 75 -3,-1.6 5,-0.2 5,-0.2 -1,-0.1 -0.790 68.8 170.7 -92.3 95.9 41.3 12.1 10.0 5 8 A T - 0 0 50 3,-2.3 3,-0.4 -2,-1.1 -2,-0.1 -0.602 48.8-106.3-103.4 165.0 40.4 8.8 11.7 6 9 A P S S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.836 120.5 44.9 -57.6 -32.6 41.5 7.3 15.1 7 10 A S S S- 0 0 75 1,-0.2 12,-2.2 11,-0.1 2,-0.3 0.625 125.8 -60.3 -88.8 -17.7 43.8 4.8 13.3 8 11 A G E - B 0 18A 0 -3,-0.4 -3,-2.3 10,-0.3 2,-0.6 -0.989 64.3 -51.5 163.1-169.6 45.4 7.2 10.8 9 12 A I E -AB 4 17A 2 8,-2.4 8,-3.1 -2,-0.3 2,-0.7 -0.877 44.0-139.0-104.3 119.1 45.0 9.6 7.9 10 13 A K E + B 0 16A 91 -7,-3.0 6,-0.2 -2,-0.6 3,-0.1 -0.696 23.0 176.7 -81.4 115.3 43.1 8.4 4.9 11 14 A V - 0 0 12 4,-2.1 2,-0.2 -2,-0.7 -1,-0.2 0.921 63.1 -38.5 -82.7 -50.0 44.8 9.5 1.7 12 15 A N S S- 0 0 18 3,-1.6 -1,-0.3 -9,-0.0 3,-0.1 -0.838 81.4 -62.1-157.8-168.3 42.5 7.9 -0.8 13 16 A D S S+ 0 0 86 -2,-0.2 3,-0.1 1,-0.2 304,-0.0 0.772 133.5 30.0 -58.4 -29.4 40.6 4.6 -1.3 14 17 A E S S+ 0 0 82 1,-0.1 65,-2.7 64,-0.1 2,-0.5 0.615 111.4 67.0-107.1 -18.3 43.7 2.5 -1.2 15 18 A I E + C 0 78A 2 63,-0.2 -4,-2.1 -3,-0.1 -3,-1.6 -0.933 46.4 169.9-120.4 126.4 46.2 4.4 1.0 16 19 A T E -BC 10 77A 30 61,-2.2 61,-3.1 -2,-0.5 2,-0.8 -0.994 27.9-139.9-126.1 138.2 46.0 5.1 4.8 17 20 A L E -BC 9 76A 0 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.3 -0.867 30.8-148.3 -97.0 106.1 48.8 6.6 6.8 18 21 A L E -BC 8 75A 12 57,-3.4 57,-2.6 -2,-0.8 -10,-0.3 -0.558 11.9-122.9 -84.4 135.6 48.7 4.6 10.1 19 22 A Y - 0 0 80 -12,-2.2 55,-0.1 -2,-0.3 -1,-0.1 -0.529 49.6 -96.3 -64.1 134.4 49.6 5.8 13.5 20 23 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.214 53.7 164.5 -59.2 149.0 52.3 3.5 14.8 21 24 A A > - 0 0 30 -3,-0.1 3,-1.7 1,-0.0 4,-0.2 -0.960 48.9-109.7-161.0 153.8 51.3 0.6 17.0 22 25 A L G > S+ 0 0 94 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.762 108.6 73.6 -62.4 -27.3 52.9 -2.7 18.2 23 26 A K G 3 S+ 0 0 169 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.638 93.9 55.9 -61.1 -15.3 50.5 -4.8 16.1 24 27 A Y G <> S+ 0 0 29 -3,-1.7 4,-2.8 1,-0.1 -1,-0.3 0.544 79.4 94.4 -93.4 -8.7 52.5 -3.7 13.0 25 28 A A H <> S+ 0 0 6 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.880 84.4 46.9 -55.2 -47.4 55.9 -4.8 14.3 26 29 A E H > S+ 0 0 131 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.944 116.0 42.7 -62.7 -50.4 55.9 -8.2 12.6 27 30 A E H > S+ 0 0 75 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 115.0 50.7 -64.5 -41.1 54.7 -7.0 9.2 28 31 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.936 111.3 48.3 -61.2 -48.6 57.1 -4.0 9.3 29 32 A Y H X S+ 0 0 38 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.933 110.8 50.2 -57.3 -48.3 60.0 -6.2 10.1 30 33 A L H X S+ 0 0 90 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.880 110.8 50.4 -60.6 -37.0 59.2 -8.7 7.4 31 34 A L H X S+ 0 0 21 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.921 111.5 46.7 -67.3 -45.5 59.0 -5.9 4.8 32 35 A I H >X S+ 0 0 7 -4,-2.5 3,-0.7 1,-0.2 4,-0.6 0.938 111.7 52.0 -60.4 -47.3 62.3 -4.4 5.9 33 36 A N H >< S+ 0 0 75 -4,-2.9 3,-1.0 1,-0.2 4,-0.3 0.903 106.7 53.0 -56.3 -43.7 64.0 -7.8 5.8 34 37 A Q H 3< S+ 0 0 152 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.787 118.8 36.6 -60.6 -29.6 62.6 -8.4 2.2 35 38 A N H S+ 0 0 145 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.929 118.1 37.3 -58.5 -49.5 69.8 -5.4 0.2 38 41 A N H >4 S+ 0 0 58 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.888 115.2 54.6 -69.3 -38.3 68.3 -2.7 -1.9 39 42 A F H >X S+ 0 0 8 -4,-3.0 3,-1.8 1,-0.2 4,-1.8 0.816 94.5 66.8 -67.6 -32.9 67.5 -0.4 1.1 40 43 A I H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.803 92.3 65.0 -59.9 -25.9 71.1 -0.4 2.3 41 44 A K T << S+ 0 0 169 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.696 117.5 22.0 -65.7 -21.1 72.0 1.5 -0.9 42 45 A S T <4 S+ 0 0 39 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.519 121.6 44.5-128.2 -11.1 70.0 4.6 0.1 43 46 A M < - 0 0 11 -4,-1.8 4,-0.2 313,-0.1 -1,-0.2 -0.970 58.7-144.4-142.8 154.1 69.6 4.5 3.9 44 47 A A S S+ 0 0 48 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 0.659 90.1 58.8 -94.4 -22.8 71.9 3.8 6.9 45 48 A W S > S+ 0 0 50 1,-0.2 3,-1.6 2,-0.1 4,-0.2 0.748 85.2 73.2 -83.3 -28.7 69.5 2.1 9.4 46 49 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.831 85.7 67.7 -60.3 -28.9 68.4 -1.0 7.4 47 50 A A G 3 S+ 0 0 42 1,-0.3 -2,-0.1 -4,-0.2 -3,-0.1 0.755 103.9 45.5 -58.0 -24.4 71.8 -2.7 7.7 48 51 A F G < S+ 0 0 149 -3,-1.6 2,-1.2 -4,-0.1 -1,-0.3 0.286 79.4 106.1-108.5 6.8 71.1 -3.1 11.5 49 52 A V < + 0 0 14 -3,-1.6 3,-0.1 -4,-0.2 -13,-0.1 -0.745 37.0 147.2 -88.6 96.0 67.5 -4.4 11.4 50 53 A N + 0 0 110 -2,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.562 55.9 19.0-113.0 -12.3 68.1 -8.0 12.3 51 54 A N S >> S- 0 0 85 -3,-0.2 3,-1.8 1,-0.1 4,-0.8 -0.974 79.8-101.6-155.0 157.9 65.1 -9.2 14.4 52 55 A I H 3> S+ 0 0 62 -2,-0.3 4,-2.4 1,-0.3 3,-0.5 0.812 116.4 69.4 -50.9 -33.4 61.5 -8.2 15.0 53 56 A S H 3> S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.793 93.0 57.5 -57.8 -30.5 62.7 -6.7 18.4 54 57 A D H <> S+ 0 0 61 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.890 108.1 45.4 -67.9 -38.8 64.5 -4.0 16.3 55 58 A S H X S+ 0 0 3 -4,-0.8 4,-2.4 -3,-0.5 -2,-0.2 0.856 110.2 54.6 -72.4 -36.2 61.1 -3.0 14.7 56 59 A V H X S+ 0 0 43 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.946 109.6 47.8 -57.0 -48.3 59.4 -3.2 18.2 57 60 A S H X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.903 111.0 50.7 -61.3 -42.3 62.0 -0.7 19.5 58 61 A F H X S+ 0 0 49 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.904 110.9 48.9 -60.6 -44.3 61.5 1.6 16.5 59 62 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 110.4 51.0 -61.8 -45.1 57.8 1.5 17.0 60 63 A E H X S+ 0 0 88 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.936 113.7 43.5 -60.3 -46.3 58.1 2.3 20.7 61 64 A Q H X S+ 0 0 97 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.892 112.1 53.9 -65.7 -39.3 60.4 5.3 20.0 62 65 A S H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 11,-0.3 0.881 107.0 51.4 -63.3 -39.4 58.2 6.5 17.2 63 66 A M H X S+ 0 0 65 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.872 110.3 49.2 -65.5 -38.4 55.2 6.5 19.4 64 67 A I H X S+ 0 0 88 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.947 113.5 45.8 -64.2 -47.6 57.0 8.6 22.0 65 68 A D H <>S+ 0 0 27 -4,-2.6 5,-2.1 1,-0.2 6,-1.1 0.903 113.3 50.1 -65.0 -39.4 58.2 11.1 19.4 66 69 A N H ><5S+ 0 0 31 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.925 107.1 54.4 -61.4 -46.6 54.7 11.3 17.9 67 70 A Q H 3<5S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.866 115.3 39.5 -53.0 -40.5 53.1 11.9 21.3 68 71 A N T 3<5S- 0 0 114 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.331 108.6-121.4 -97.8 5.3 55.4 14.9 21.9 69 72 A E T < 5S+ 0 0 106 -3,-1.3 -3,-0.2 -4,-0.4 24,-0.2 0.784 75.9 126.6 55.5 33.3 55.3 16.2 18.3 70 73 A K S -CD 15 81A 20 3,-2.9 3,-2.2 -2,-0.6 -63,-0.2 -0.980 65.7 -44.2-117.8 118.6 48.3 0.2 0.7 79 82 A K T 3 S- 0 0 120 -65,-2.7 -63,-0.1 -2,-0.5 4,-0.1 -0.458 126.7 -22.5 54.2-119.9 45.3 -2.0 0.2 80 83 A T T 3 S+ 0 0 108 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.486 124.1 79.5 -95.3 -2.0 45.8 -4.7 2.9 81 84 A K E < S-D 78 0A 114 -3,-2.2 -3,-2.9 -54,-0.0 2,-0.4 -0.789 79.5-115.8-115.7 146.8 49.6 -4.4 3.3 82 85 A I E -D 77 0A 4 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.668 33.9-178.8 -68.0 126.6 52.1 -2.2 5.1 83 86 A A E - 0 0 0 -7,-3.5 22,-2.8 -2,-0.4 2,-0.3 0.616 49.3 -66.5-104.9 -20.4 54.0 -0.6 2.1 84 87 A G E -DE 76 104A 0 -8,-0.9 -8,-2.4 20,-0.2 2,-0.4 -0.980 57.5 -68.1 160.0-157.3 56.6 1.5 3.9 85 88 A V E -DE 75 103A 0 18,-1.7 18,-2.2 -2,-0.3 2,-0.4 -0.977 26.5-171.9-135.1 140.6 57.0 4.6 6.1 86 89 A V E +DE 74 102A 0 -12,-2.2 -12,-2.3 -2,-0.4 2,-0.3 -0.993 23.7 168.9-129.5 143.4 56.4 8.3 5.6 87 90 A S E -DE 73 101A 0 14,-2.6 14,-2.1 -2,-0.4 2,-0.8 -0.981 51.1-130.2-146.5 154.5 57.5 10.8 8.2 88 91 A F E -DE 72 100A 0 -16,-2.5 -16,-2.5 -2,-0.3 12,-0.3 -0.972 34.8-167.5 -91.1 104.2 58.1 14.3 9.4 89 92 A N E S+ 0 0 41 10,-2.4 2,-0.4 -2,-0.8 11,-0.1 0.873 74.3 14.2 -59.4 -37.4 61.6 13.2 10.7 90 93 A I E - E 0 99A 89 9,-0.9 9,-2.3 -3,-0.1 2,-0.5 -0.997 65.8-160.0-140.8 133.1 61.7 16.5 12.6 91 94 A I E - E 0 98A 20 -21,-2.0 2,-0.8 -2,-0.4 7,-0.2 -0.987 5.5-167.7-112.2 120.6 59.0 19.0 13.4 92 95 A D E > + E 0 97A 46 5,-3.2 5,-2.3 -2,-0.5 3,-0.4 -0.863 7.9 178.8-105.9 92.9 60.4 22.5 14.3 93 96 A H T > 5S+ 0 0 82 -2,-0.8 3,-1.3 1,-0.2 -1,-0.2 0.884 75.3 61.6 -65.8 -38.0 57.4 24.2 15.7 94 97 A A T 3 5S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.869 118.8 29.1 -56.7 -36.7 59.2 27.5 16.5 95 98 A N T 3 5S- 0 0 110 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.239 106.3-124.6-107.9 10.5 59.9 27.9 12.8 96 99 A K T < 5 + 0 0 111 -3,-1.3 36,-2.6 -4,-0.2 37,-2.1 0.880 64.1 140.7 45.3 50.5 56.8 26.0 11.5 97 100 A T E < -Ef 92 133A 9 -5,-2.3 -5,-3.2 35,-0.2 2,-0.4 -0.957 35.7-167.1-127.4 137.6 59.1 23.7 9.5 98 101 A A E -Ef 91 134A 0 35,-2.4 37,-2.4 -2,-0.4 2,-0.5 -0.992 11.4-148.6-127.1 136.6 58.8 19.9 8.9 99 102 A Y E -Ef 90 135A 66 -9,-2.3 -10,-2.4 -2,-0.4 -9,-0.9 -0.917 22.9-142.8-106.0 124.6 61.6 17.7 7.4 100 103 A I E +Ef 88 136A 4 35,-3.2 37,-0.5 -2,-0.5 2,-0.3 -0.663 20.3 178.1 -99.9 139.1 60.2 14.7 5.4 101 104 A G E +E 87 0A 0 -14,-2.1 -14,-2.6 -2,-0.3 2,-0.3 -0.933 8.4 167.0-128.8 159.4 61.4 11.1 5.1 102 105 A Y E +E 86 0A 27 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.983 14.4 177.8-165.1 154.9 60.1 8.1 3.3 103 106 A W E -E 85 0A 12 -18,-2.2 -18,-1.7 -2,-0.3 2,-0.3 -0.957 7.7-163.9-155.3 154.7 60.6 4.6 2.0 104 107 A L E -E 84 0A 21 -2,-0.3 -20,-0.2 -20,-0.2 5,-0.1 -0.996 29.7-110.1-132.8 141.8 58.6 1.9 0.1 105 108 A G >> - 0 0 0 -22,-2.8 3,-2.2 -2,-0.3 4,-0.5 -0.325 40.4-106.8 -59.7 152.4 59.2 -1.8 -0.4 106 109 A A G >4 S+ 0 0 48 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.847 119.6 57.4 -51.5 -40.2 60.1 -2.7 -3.9 107 110 A N G 34 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.570 107.8 48.9 -72.2 -6.5 56.7 -4.3 -4.6 108 111 A F G X4 S+ 0 0 17 -3,-2.2 3,-0.6 -25,-0.2 5,-0.4 0.426 88.2 103.4-112.1 -2.6 55.0 -0.9 -3.7 109 112 A Q T << + 0 0 83 -3,-1.2 -4,-0.0 -4,-0.5 -3,-0.0 -0.441 69.1 39.2 -80.1 154.2 57.2 1.4 -5.9 110 113 A G T 3 S+ 0 0 86 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.632 90.4 95.7 83.8 17.3 55.9 2.8 -9.2 111 114 A K S < S- 0 0 95 -3,-0.6 -2,-0.1 0, 0.0 -3,-0.0 0.254 94.4-114.4-122.4 6.8 52.4 3.4 -7.8 112 115 A G S > S+ 0 0 35 1,-0.1 4,-2.5 3,-0.1 5,-0.2 0.655 70.9 138.0 67.4 17.1 52.5 7.0 -6.7 113 116 A I H > S+ 0 0 1 -5,-0.4 4,-2.1 2,-0.2 5,-0.1 0.915 70.1 40.2 -66.0 -44.8 52.1 6.0 -3.1 114 117 A V H > S+ 0 0 8 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.915 114.1 53.5 -73.4 -40.0 54.6 8.4 -1.5 115 118 A T H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.946 112.1 45.7 -56.4 -45.6 53.7 11.3 -3.8 116 119 A N H X S+ 0 0 17 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.909 113.3 50.3 -64.0 -41.1 50.0 10.8 -2.7 117 120 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.938 111.7 46.8 -62.1 -46.8 51.0 10.5 1.0 118 121 A I H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.923 110.1 52.9 -63.6 -44.2 53.2 13.7 0.9 119 122 A N H X S+ 0 0 25 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.914 110.2 49.2 -57.4 -41.7 50.5 15.7 -0.9 120 123 A K H X S+ 0 0 24 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.917 110.7 48.9 -64.9 -43.9 48.0 14.6 1.8 121 124 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.5 0.893 110.9 50.4 -63.7 -38.2 50.3 15.6 4.7 122 125 A I H X>S+ 0 0 7 -4,-2.6 4,-1.9 2,-0.2 5,-0.9 0.893 111.4 48.6 -69.3 -37.4 51.0 19.0 3.1 123 126 A Q H X5S+ 0 0 28 -4,-2.2 4,-1.1 -5,-0.2 5,-0.3 0.962 116.4 43.3 -61.4 -50.8 47.3 19.7 2.8 124 127 A E H <5S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 6,-0.2 0.908 129.2 24.0 -66.6 -45.0 46.6 18.6 6.4 125 128 A Y H <>S+ 0 0 53 -4,-2.8 6,-2.4 -5,-0.2 5,-1.0 0.747 128.3 43.7 -92.2 -27.2 49.5 20.4 8.1 126 129 A G H ><5S+ 0 0 2 -4,-1.9 3,-1.1 -5,-0.5 -3,-0.2 0.911 112.6 44.8 -88.5 -48.4 50.2 23.2 5.6 127 130 A D T 3< - 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0 0 29 4,-2.6 2,-0.3 1,-0.5 5,-0.2 0.853 65.5 -41.2 -95.0 -51.6 52.3 17.4 -21.7 186 15 B N S S- 0 0 54 3,-1.8 -1,-0.5 0, 0.0 3,-0.3 -0.875 76.7 -68.1-159.1-169.7 55.1 14.9 -22.3 187 16 B D S S+ 0 0 153 -2,-0.3 3,-0.1 1,-0.2 66,-0.0 0.624 133.2 40.4 -69.3 -11.8 56.5 12.7 -25.1 188 17 B E S S+ 0 0 88 1,-0.2 65,-2.3 65,-0.1 2,-0.4 0.657 113.1 53.7-103.4 -22.9 53.4 10.6 -25.0 189 18 B I E + J 0 252B 3 -3,-0.3 -4,-2.6 63,-0.2 -3,-1.8 -0.965 48.0 169.5-128.8 128.3 50.6 13.2 -24.5 190 19 B T E -IJ 184 251B 36 61,-2.1 61,-2.9 -2,-0.4 2,-0.8 -0.993 28.4-137.8-128.6 139.1 49.6 16.4 -26.3 191 20 B L E -IJ 183 250B 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.3 -0.873 29.3-148.2 -97.4 107.3 46.4 18.3 -25.7 192 21 B L E - J 0 249B 15 57,-3.3 57,-2.7 -2,-0.8 3,-0.1 -0.570 12.9-121.3 -84.1 136.4 45.0 19.2 -29.1 193 22 B Y - 0 0 134 -2,-0.3 55,-0.1 55,-0.2 -1,-0.1 -0.533 51.9 -92.7 -61.8 134.0 43.1 22.3 -29.9 194 23 B P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.227 54.6 169.2 -56.9 142.8 39.8 21.0 -31.4 195 24 B A > - 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0 0 12 -4,-2.5 -1,-0.3 1,-0.1 4,-0.2 -0.978 55.5-148.2-141.8 150.7 27.9 11.4 -17.9 218 47 B A S > S+ 0 0 55 -2,-0.3 3,-0.8 1,-0.1 4,-0.2 0.823 87.8 62.1 -88.2 -36.7 24.6 12.6 -19.5 219 48 B W G > S+ 0 0 46 1,-0.2 3,-1.8 2,-0.1 4,-0.2 0.749 83.7 73.9 -68.5 -27.7 25.7 13.7 -23.0 220 49 B P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.824 85.5 67.4 -60.6 -27.9 27.0 10.4 -24.4 221 50 B A G < S+ 0 0 44 -3,-0.8 -2,-0.1 1,-0.3 -3,-0.1 0.734 102.8 47.2 -58.8 -24.3 23.4 9.1 -24.9 222 51 B F G < S+ 0 0 153 -3,-1.8 2,-1.2 -4,-0.2 -1,-0.3 0.237 79.7 101.4-107.8 9.4 22.8 11.8 -27.5 223 52 B V < + 0 0 16 -3,-1.7 -1,-0.1 -4,-0.2 3,-0.1 -0.753 41.5 141.8 -93.2 88.4 26.0 11.3 -29.6 224 53 B N + 0 0 81 -2,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.787 55.8 32.6-102.0 -34.3 24.3 9.3 -32.4 225 54 B N S >> S- 0 0 89 -3,-0.3 3,-1.8 1,-0.1 4,-0.9 -0.866 78.4-113.9-126.9 155.5 26.0 10.5 -35.6 226 55 B I H >> S+ 0 0 75 -2,-0.3 4,-2.1 1,-0.3 3,-0.5 0.852 116.9 66.7 -54.5 -33.7 29.4 11.7 -36.6 227 56 B S H 3> S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.740 92.9 59.5 -59.2 -26.0 27.6 15.0 -37.3 228 57 B D H <> S+ 0 0 53 -3,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.882 106.4 45.7 -70.3 -38.9 27.0 15.3 -33.5 229 58 B S H S+ 0 0 53 -4,-2.8 6,-0.8 1,-0.2 4,-0.8 0.880 109.4 50.7 -57.4 -41.5 34.0 28.5 -26.9 240 69 B N H ><5S+ 0 0 30 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.900 109.9 50.3 -63.4 -42.3 37.8 28.3 -26.9 241 70 B Q H 3<5S+ 0 0 156 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.877 109.5 50.5 -61.0 -42.1 38.0 31.6 -28.8 242 71 B N H 3<5S- 0 0 117 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.587 101.4-138.9 -76.8 -13.2 35.6 33.3 -26.4 243 72 B E T <<5S+ 0 0 125 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.566 73.8 111.2 67.4 14.1 37.7 32.2 -23.4 244 73 B K S -JK 189 255B 17 3,-3.2 3,-2.2 -2,-0.6 -63,-0.2 -0.966 67.9 -23.2-121.3 118.8 48.1 9.7 -26.5 253 82 B K T 3 S- 0 0 112 -65,-2.3 -1,-0.2 -2,-0.5 -64,-0.1 0.889 129.9 -46.0 47.7 49.0 50.8 7.8 -28.5 254 83 B T T 3 S+ 0 0 119 -66,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.251 120.9 100.4 82.5 -6.2 49.2 9.0 -31.8 255 84 B K E < S-K 252 0B 103 -3,-2.2 -3,-3.2 -54,-0.0 2,-0.4 -0.860 78.8-112.4-114.8 142.8 45.6 8.2 -30.8 256 85 B I E +K 251 0B 4 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.600 37.7 176.2 -67.5 125.3 42.7 10.4 -29.6 257 86 B A E - 0 0 0 -7,-3.1 22,-2.7 -2,-0.4 2,-0.3 0.599 48.0 -68.4-109.7 -20.3 42.2 9.2 -26.0 258 87 B G E -KL 250 278B 0 -8,-0.8 -8,-2.2 20,-0.3 2,-0.3 -0.986 55.4 -68.3 156.8-157.8 39.5 11.5 -24.6 259 88 B V E -KL 249 277B 1 18,-1.9 18,-2.1 -2,-0.3 2,-0.4 -0.977 25.7-171.0-137.1 140.8 38.8 15.1 -23.6 260 89 B V E +KL 248 276B 0 -12,-2.2 -12,-2.3 -2,-0.3 2,-0.3 -0.992 23.8 167.8-130.7 143.0 40.0 17.4 -20.8 261 90 B S E -KL 247 275B 0 14,-2.5 14,-2.1 -2,-0.4 2,-0.7 -0.975 49.9-129.8-146.6 156.4 38.4 20.8 -20.2 262 91 B F E -KL 246 274B 1 -16,-2.6 -16,-2.4 -2,-0.3 12,-0.3 -0.962 32.7-168.3 -95.6 103.1 37.8 23.9 -18.3 263 92 B N E S+ 0 0 51 10,-2.2 2,-0.4 -2,-0.7 11,-0.1 0.895 75.0 15.4 -57.2 -41.5 34.0 23.6 -18.6 264 93 B I E - L 0 273B 74 9,-0.9 9,-2.4 -3,-0.1 2,-0.5 -0.999 65.7-160.6-135.0 132.7 33.7 27.1 -17.2 265 94 B I E - L 0 272B 11 -21,-2.3 2,-0.9 -2,-0.4 7,-0.2 -0.984 6.5-165.8-111.9 117.0 36.4 29.8 -16.8 266 95 B D E > - L 0 271B 48 5,-3.3 5,-2.3 -2,-0.5 3,-0.3 -0.839 7.7-178.4-101.9 92.6 35.3 32.4 -14.3 267 96 B H T > 5S+ 0 0 85 -2,-0.9 3,-1.4 1,-0.2 -1,-0.2 0.897 75.8 57.7 -63.1 -42.2 37.8 35.2 -15.0 268 97 B A T 3 5S+ 0 0 89 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.866 118.1 33.1 -57.9 -38.4 36.6 37.6 -12.4 269 98 B N T 3 5S- 0 0 111 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.253 106.3-125.5-100.6 10.1 37.3 35.0 -9.6 270 99 B K T < 5 + 0 0 94 -3,-1.4 36,-2.9 -4,-0.3 37,-2.4 0.891 63.5 142.5 44.7 50.6 40.3 33.4 -11.4 271 100 B T E < -Lm 266 307B 8 -5,-2.3 -5,-3.3 34,-0.2 2,-0.4 -0.953 35.9-166.9-126.5 136.5 38.5 30.1 -11.2 272 101 B A E -Lm 265 308B 0 35,-2.5 37,-2.6 -2,-0.4 2,-0.5 -0.991 11.3-149.3-124.8 136.5 38.4 27.1 -13.6 273 102 B Y E -Lm 264 309B 67 -9,-2.4 -10,-2.2 -2,-0.4 -9,-0.9 -0.916 23.8-142.4-104.9 120.7 36.0 24.1 -13.3 274 103 B I E -Lm 262 310B 5 35,-3.2 37,-0.5 -2,-0.5 2,-0.3 -0.642 20.2-179.9 -95.4 139.1 37.5 21.0 -14.8 275 104 B G E +L 261 0B 0 -14,-2.1 -14,-2.5 -2,-0.3 2,-0.3 -0.919 9.8 166.2-125.4 157.9 35.9 18.2 -16.8 276 105 B Y E +L 260 0B 26 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.982 14.7 175.9-163.5 155.8 37.5 15.0 -18.3 277 106 B W E -L 259 0B 13 -18,-2.1 -18,-1.9 -2,-0.3 2,-0.4 -0.947 8.5-163.7-156.7 152.1 36.9 11.6 -19.8 278 107 B L E -L 258 0B 22 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.995 29.8-111.4-130.1 141.4 39.1 8.8 -21.3 279 108 B G > - 0 0 0 -22,-2.7 3,-2.3 -2,-0.4 4,-0.5 -0.379 39.3-109.7 -59.9 148.5 38.2 5.9 -23.5 280 109 B A G > S+ 0 0 52 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.821 117.2 62.4 -53.7 -34.8 38.6 2.6 -21.6 281 110 B N G 3 S+ 0 0 126 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.635 107.2 45.6 -65.9 -12.1 41.6 1.6 -23.7 282 111 B F G X S+ 0 0 27 -3,-2.3 3,-0.6 -25,-0.2 5,-0.4 0.376 89.6 106.3-114.2 -0.1 43.4 4.7 -22.4 283 112 B Q T < + 0 0 66 -3,-1.2 -4,-0.0 -4,-0.5 -3,-0.0 -0.389 66.0 40.3 -79.5 157.3 42.6 4.4 -18.7 284 113 B G T 3 S+ 0 0 89 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.556 90.2 93.1 86.0 11.9 45.1 3.3 -16.1 285 114 B K S < S- 0 0 103 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.300 95.6-111.8-121.7 4.2 48.0 5.3 -17.6 286 115 B G S > S+ 0 0 33 3,-0.1 4,-2.7 4,-0.0 5,-0.2 0.657 71.1 138.3 75.1 15.4 48.0 8.6 -15.7 287 116 B I H > S+ 0 0 1 -5,-0.4 4,-2.3 2,-0.2 5,-0.1 0.909 71.3 39.7 -65.0 -45.7 46.9 10.5 -18.8 288 117 B V H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.912 115.1 52.9 -72.4 -40.1 44.3 12.8 -17.2 289 118 B T H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.947 113.1 44.5 -58.4 -47.2 46.5 13.3 -14.1 290 119 B N H X S+ 0 0 62 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.906 113.6 50.8 -65.8 -39.1 49.4 14.4 -16.2 291 120 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.933 111.8 46.6 -61.2 -47.9 47.1 16.5 -18.4 292 121 B I H X S+ 0 0 2 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.915 109.2 54.5 -63.3 -42.1 45.6 18.3 -15.4 293 122 B N H X S+ 0 0 70 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.923 110.4 47.4 -58.1 -41.8 49.1 18.9 -13.9 294 123 B K H X S+ 0 0 46 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.927 111.2 49.8 -64.3 -45.5 50.2 20.5 -17.1 295 124 B L H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.867 110.3 50.7 -62.9 -36.5 47.1 22.8 -17.4 296 125 B I H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.899 111.3 48.7 -68.2 -38.7 47.5 23.9 -13.8 297 126 B Q H X S+ 0 0 92 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.962 115.9 43.7 -61.1 -51.1 51.1 24.8 -14.5 298 127 B E H X S+ 0 0 79 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.929 122.2 35.0 -62.4 -50.5 50.2 26.7 -17.7 299 128 B Y H <>S+ 0 0 54 -4,-2.8 6,-1.8 2,-0.2 5,-0.8 0.772 119.1 51.3 -81.7 -27.0 47.2 28.6 -16.4 300 129 B G H ><5S+ 0 0 8 -4,-2.1 3,-1.3 -5,-0.4 -2,-0.2 0.934 110.7 48.2 -67.4 -49.4 48.7 29.0 -12.9 301 130 B D H 3<5S+ 0 0 128 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.787 107.0 57.2 -63.1 -30.2 52.0 30.4 -14.3 302 131 B S T 3<5S- 0 0 73 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.599 107.8-124.5 -76.3 -14.0 50.1 32.9 -16.5 303 132 B G T < 5S+ 0 0 31 -3,-1.3 -3,-0.1 -4,-0.3 -2,-0.1 0.429 82.8 111.5 83.8 0.6 48.2 34.4 -13.6 304 133 B V S - N 0 347B 14 -2,-0.3 3,-1.8 34,-0.3 34,-0.3 -0.199 35.9-125.4 -52.1 137.9 29.5 12.3 -8.1 314 143 B V T 3 S+ 0 0 68 32,-2.2 -1,-0.1 1,-0.3 33,-0.1 0.887 109.7 51.7 -58.1 -40.1 30.4 10.6 -4.8 315 144 B D T 3 S+ 0 0 146 31,-0.3 2,-1.4 1,-0.1 -1,-0.3 0.511 81.1 101.2 -75.1 -8.1 29.8 7.1 -6.2 316 145 B N <> - 0 0 47 -3,-1.8 4,-2.1 1,-0.2 5,-0.2 -0.649 53.4-176.7 -81.0 92.7 32.1 7.8 -9.2 317 146 B K H > S+ 0 0 123 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.906 74.7 45.2 -62.1 -47.0 35.2 5.9 -7.9 318 147 B K H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.852 112.0 50.8 -70.5 -34.5 37.6 6.7 -10.7 319 148 B S H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 111.7 47.3 -71.6 -42.1 36.8 10.4 -11.0 320 149 B N H X S+ 0 0 11 -4,-2.1 4,-2.2 -7,-0.2 -2,-0.2 0.907 110.6 53.5 -58.2 -41.9 37.2 10.9 -7.2 321 150 B A H X S+ 0 0 23 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.896 108.3 50.1 -62.1 -40.1 40.5 9.0 -7.4 322 151 B T H X S+ 0 0 20 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.932 108.3 51.4 -63.9 -47.3 41.7 11.3 -10.2 323 152 B A H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 -2,-0.2 0.932 114.3 44.2 -54.5 -45.9 40.9 14.5 -8.3 324 153 B L H ><5S+ 0 0 40 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.911 110.1 54.8 -66.2 -42.0 42.8 13.1 -5.3 325 154 B R H 3<5S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.3 57.5 -59.8 -33.6 45.7 12.0 -7.5 326 155 B C T 3<5S- 0 0 4 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.375 122.7-107.2 -79.6 1.8 46.0 15.5 -8.9 327 156 B G T < 5 + 0 0 10 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.728 67.0 152.0 78.5 24.1 46.5 16.9 -5.3 328 157 B F < - 0 0 0 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.2 -0.601 38.7-132.5 -83.0 148.7 43.1 18.4 -4.9 329 158 B T E -O 351 0B 47 22,-2.9 22,-2.2 -2,-0.2 2,-0.4 -0.859 18.4-116.3-104.1 135.7 41.5 18.8 -1.5 330 159 B L E +O 350 0B 72 -2,-0.4 20,-0.3 20,-0.2 3,-0.1 -0.558 31.3 178.5 -67.4 120.6 37.9 17.8 -0.7 331 160 B E E - 0 0 98 18,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.705 54.5 -58.8 -95.8 -26.9 36.0 20.9 0.4 332 161 B G E -O 349 0B 27 17,-1.1 17,-2.3 2,-0.0 2,-0.5 -0.985 52.7 -74.8 169.1-175.1 32.6 19.4 0.9 333 162 B V E -O 348 0B 74 -2,-0.3 2,-0.9 15,-0.2 15,-0.2 -0.966 29.3-149.6-116.8 119.9 29.6 17.4 -0.4 334 163 B L E > -O 347 0B 56 13,-3.2 13,-2.6 -2,-0.5 3,-0.8 -0.824 28.0-131.7 -89.6 107.9 27.1 19.2 -2.7 335 164 B Q E 3 S- 0 0 161 -2,-0.9 11,-0.1 1,-0.2 10,-0.1 -0.390 73.4 -15.4 -69.9 130.0 23.9 17.4 -1.9 336 165 B K E 3 S+ 0 0 160 -2,-0.2 10,-0.3 8,-0.2 -1,-0.2 0.886 91.5 140.5 48.8 54.4 21.7 16.2 -4.8 337 166 B A E < + 0 0 51 8,-1.6 2,-0.4 -3,-0.8 9,-0.2 0.576 48.1 53.6-109.1 -15.4 23.7 18.3 -7.3 338 167 B E E -O 345 0B 27 7,-2.2 7,-2.9 -4,-0.2 2,-0.6 -0.977 65.6-149.1-132.5 125.0 24.1 16.2 -10.4 339 168 B I E +O 344 0B 110 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.802 22.7 164.5 -97.5 120.2 21.4 14.5 -12.4 340 169 B L E > S-O 343 0B 8 3,-2.3 3,-1.9 -2,-0.6 -122,-0.1 -0.999 71.3 -9.6-130.9 132.1 22.1 11.2 -14.3 341 170 B N T 3 S- 0 0 114 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.863 130.4 -51.8 51.1 42.9 19.4 8.9 -15.6 342 171 B G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.501 116.5 107.0 78.1 6.6 16.6 10.8 -13.8 343 172 B V E < - 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