==== 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 25-MAR-11 3R9E . COMPND 2 MOLECULE: MCCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.K.NAIR,V.AGARWAL . 362 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 80.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 27.3 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 . 8 2.2 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 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 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 0 2 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,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.7 38.2 16.2 8.2 2 5 A V T 3 + 0 0 137 1,-0.3 8,-0.1 3,-0.0 0, 0.0 0.621 360.0 70.7 -68.1 -12.5 37.2 12.6 7.8 3 6 A S T 3 S+ 0 0 15 1,-0.1 7,-3.0 6,-0.1 2,-1.0 0.636 81.9 79.8 -77.2 -15.0 40.6 11.7 6.3 4 7 A L E < +A 9 0A 77 -3,-1.8 5,-0.2 5,-0.2 -1,-0.1 -0.812 69.9 171.7 -94.9 95.5 42.1 12.2 9.8 5 8 A T E > -A 8 0A 47 3,-2.4 3,-0.6 -2,-1.0 -2,-0.1 -0.583 48.3-106.4-103.0 164.3 41.1 8.9 11.5 6 9 A P T 3 S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 13,-0.1 0.844 120.6 44.9 -58.0 -31.9 42.1 7.4 14.8 7 10 A S T 3 S- 0 0 72 1,-0.2 12,-2.2 11,-0.1 2,-0.3 0.623 125.9 -61.9 -89.2 -15.7 44.4 4.9 13.1 8 11 A G E < -AB 5 18A 0 -3,-0.6 -3,-2.4 10,-0.3 2,-0.6 -0.986 65.1 -48.9 159.9-168.8 46.1 7.3 10.6 9 12 A I E -AB 4 17A 1 8,-2.4 8,-2.9 -2,-0.3 2,-0.8 -0.878 43.2-139.1-106.5 118.8 45.8 9.6 7.7 10 13 A K E + B 0 16A 87 -7,-3.0 6,-0.2 -2,-0.6 3,-0.1 -0.690 22.7 176.7 -81.7 111.1 43.8 8.5 4.7 11 14 A V - 0 0 12 4,-2.0 2,-0.2 -2,-0.8 -1,-0.2 0.931 63.9 -39.3 -77.8 -50.1 45.6 9.6 1.6 12 15 A N S S- 0 0 18 3,-1.6 -1,-0.3 -9,-0.0 3,-0.2 -0.841 81.0 -62.8-158.9-168.6 43.3 8.0 -1.0 13 16 A D S S+ 0 0 92 -2,-0.2 3,-0.1 1,-0.2 315,-0.0 0.715 133.3 32.4 -61.9 -22.3 41.3 4.7 -1.5 14 17 A E S S+ 0 0 85 1,-0.1 65,-2.8 64,-0.1 2,-0.5 0.620 111.1 64.2-109.0 -20.7 44.4 2.6 -1.5 15 18 A I E + C 0 78A 2 63,-0.2 -4,-2.0 -3,-0.2 -3,-1.6 -0.937 46.9 171.1-121.8 126.8 46.9 4.4 0.9 16 19 A T E -BC 10 77A 29 61,-2.2 61,-3.2 -2,-0.5 2,-0.8 -0.995 26.8-140.8-126.9 138.5 46.7 5.1 4.6 17 20 A L E -BC 9 76A 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.872 30.6-149.9 -98.3 105.4 49.5 6.5 6.7 18 21 A L E -BC 8 75A 11 57,-3.1 57,-2.6 -2,-0.8 -10,-0.3 -0.560 13.0-122.4 -85.5 137.6 49.3 4.6 9.9 19 22 A Y - 0 0 77 -12,-2.2 55,-0.1 -2,-0.3 -1,-0.1 -0.552 51.2 -93.4 -66.5 136.4 50.3 5.8 13.3 20 23 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.187 51.6 171.3 -59.2 147.5 52.9 3.3 14.6 21 24 A A > - 0 0 25 -3,-0.1 3,-1.6 1,-0.0 4,-0.2 -0.970 43.4-116.3-153.6 149.8 51.8 0.4 16.8 22 25 A L G > S+ 0 0 92 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.780 108.2 71.1 -61.3 -30.0 53.6 -2.7 18.1 23 26 A K G 3 S+ 0 0 161 1,-0.3 4,-0.4 2,-0.1 3,-0.4 0.724 93.0 58.6 -58.7 -23.3 51.3 -5.0 16.0 24 27 A Y G <> S+ 0 0 34 -3,-1.6 4,-2.8 1,-0.2 5,-0.3 0.568 79.4 93.5 -82.4 -10.2 53.1 -3.8 12.9 25 28 A A H <> S+ 0 0 5 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.876 84.3 47.4 -53.7 -47.3 56.6 -4.9 14.2 26 29 A E H > S+ 0 0 132 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.950 115.9 42.3 -61.8 -52.4 56.5 -8.3 12.5 27 30 A E H > S+ 0 0 76 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.897 115.4 50.5 -63.4 -42.0 55.4 -7.1 9.0 28 31 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.939 111.1 48.7 -61.6 -47.6 57.7 -4.1 9.1 29 32 A Y H X S+ 0 0 37 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.922 111.0 49.4 -58.4 -46.8 60.7 -6.3 10.1 30 33 A L H X S+ 0 0 93 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.895 110.8 50.9 -62.3 -39.2 60.0 -8.8 7.3 31 34 A L H X S+ 0 0 22 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.926 112.1 45.9 -63.3 -46.1 59.7 -6.0 4.7 32 35 A I H >X S+ 0 0 5 -4,-2.5 4,-0.8 1,-0.2 3,-0.6 0.941 111.9 52.9 -61.2 -45.8 63.0 -4.4 5.8 33 36 A N H >< S+ 0 0 69 -4,-2.9 3,-0.8 1,-0.3 4,-0.3 0.901 107.0 51.2 -56.5 -44.8 64.6 -7.9 5.8 34 37 A Q H 3< S+ 0 0 155 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.791 120.3 35.8 -62.5 -29.7 63.4 -8.5 2.2 35 38 A N H S+ 0 0 141 -4,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.926 117.2 38.2 -59.9 -46.7 70.6 -5.4 0.5 38 41 A N H >4 S+ 0 0 61 -3,-0.2 3,-0.8 1,-0.2 4,-0.4 0.882 114.5 55.2 -70.2 -37.3 69.2 -2.6 -1.7 39 42 A F H >X S+ 0 0 9 -4,-2.8 3,-1.8 1,-0.2 4,-1.7 0.853 96.2 64.0 -64.9 -37.1 68.3 -0.4 1.2 40 43 A I H 3< S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 92.4 67.6 -58.5 -27.3 71.9 -0.4 2.6 41 44 A K T << S+ 0 0 166 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.777 117.1 19.6 -62.1 -26.3 72.9 1.3 -0.7 42 45 A S T <4 S+ 0 0 43 -3,-1.8 2,-0.3 -4,-0.4 97,-0.2 0.504 122.6 44.9-125.7 -7.9 71.0 4.5 0.3 43 46 A M < - 0 0 13 -4,-1.7 4,-0.2 1,-0.1 -1,-0.2 -0.979 60.1-144.5-140.4 149.8 70.4 4.5 4.1 44 47 A A S > S+ 0 0 49 -2,-0.3 3,-1.3 1,-0.1 4,-0.2 0.925 89.3 62.0 -81.5 -45.0 72.7 3.7 7.1 45 48 A W G > S+ 0 0 54 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.709 85.2 71.2 -59.8 -29.9 70.3 2.1 9.5 46 49 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.827 85.4 69.6 -62.7 -25.6 69.2 -1.0 7.5 47 50 A A G < S+ 0 0 39 -3,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.729 103.2 44.9 -59.7 -21.5 72.6 -2.6 7.9 48 51 A F G < S+ 0 0 156 -3,-1.8 2,-1.1 -4,-0.2 -1,-0.3 0.298 79.9 106.2-110.3 6.9 71.8 -3.1 11.6 49 52 A V < + 0 0 16 -3,-1.6 3,-0.1 -4,-0.2 -13,-0.1 -0.762 35.7 145.2 -89.9 99.8 68.2 -4.4 11.5 50 53 A N + 0 0 99 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.550 56.7 22.9-116.5 -13.7 68.8 -8.1 12.3 51 54 A N S >> S- 0 0 82 -3,-0.2 3,-1.8 1,-0.1 4,-0.9 -0.979 79.1-104.7-152.5 156.3 65.8 -9.2 14.3 52 55 A I H >> S+ 0 0 61 -2,-0.3 4,-2.3 1,-0.3 3,-0.5 0.825 116.5 69.0 -50.3 -33.8 62.1 -8.4 14.9 53 56 A S H 3> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.792 93.1 56.8 -58.4 -31.2 63.3 -6.9 18.2 54 57 A D H <> S+ 0 0 61 -3,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.883 108.1 46.6 -67.2 -38.4 65.1 -4.1 16.3 55 58 A S H S+ 0 0 26 -4,-2.7 5,-2.2 1,-0.2 6,-1.0 0.898 113.1 50.4 -63.1 -39.4 58.8 10.9 19.4 66 69 A N H ><5S+ 0 0 30 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.932 107.6 53.6 -63.0 -46.3 55.3 11.1 17.8 67 70 A Q H 3<5S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.872 115.8 39.7 -53.0 -41.1 53.7 11.7 21.3 68 71 A N T 3<5S- 0 0 112 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.352 109.3-120.9 -96.0 5.9 56.1 14.6 21.9 69 72 A E T < 5S+ 0 0 110 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.759 75.8 127.9 56.8 28.5 56.0 16.0 18.3 70 73 A K S -CD 15 81A 20 3,-2.9 3,-2.1 -2,-0.6 2,-0.2 -0.970 65.4 -45.4-116.9 116.4 49.0 0.2 0.5 79 82 A K T 3 S- 0 0 119 -65,-2.8 -63,-0.1 -2,-0.5 -2,-0.0 -0.465 126.6 -21.1 55.5-120.6 45.9 -2.0 0.1 80 83 A T T 3 S+ 0 0 110 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.530 124.2 77.3 -93.0 -5.0 46.4 -4.7 2.7 81 84 A K E < S-D 78 0A 116 -3,-2.1 -3,-2.9 -54,-0.0 2,-0.5 -0.774 79.4-114.8-116.3 148.0 50.2 -4.4 3.2 82 85 A I E -D 77 0A 4 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.673 33.3-178.9 -69.5 125.4 52.7 -2.2 4.9 83 86 A A E - 0 0 0 -7,-3.3 22,-2.8 -2,-0.5 2,-0.3 0.608 49.7 -67.9-102.5 -21.5 54.7 -0.7 2.0 84 87 A G E -DE 76 104A 0 -8,-0.9 -8,-2.3 20,-0.2 2,-0.4 -0.981 57.8 -65.7 159.2-158.0 57.3 1.4 3.8 85 88 A V E -DE 75 103A 0 18,-1.8 18,-2.2 -2,-0.3 2,-0.4 -0.972 26.9-172.8-133.2 140.5 57.6 4.5 6.0 86 89 A V E +DE 74 102A 0 -12,-2.1 -12,-2.1 -2,-0.4 2,-0.3 -0.993 25.3 165.7-130.1 143.2 57.1 8.2 5.5 87 90 A S E -DE 73 101A 0 14,-2.6 14,-2.2 -2,-0.4 2,-0.8 -0.986 52.8-128.1-149.8 153.7 58.1 10.7 8.1 88 91 A F E -DE 72 100A 1 -16,-2.3 -16,-2.5 -2,-0.3 12,-0.3 -0.962 35.7-169.7 -91.1 101.8 58.9 14.1 9.4 89 92 A N E S+ 0 0 37 10,-2.2 2,-0.4 -2,-0.8 11,-0.1 0.860 73.3 16.8 -59.6 -38.7 62.2 12.9 10.7 90 93 A I E - E 0 99A 85 9,-1.0 9,-2.4 -3,-0.1 2,-0.6 -0.998 65.8-160.4-137.1 131.3 62.6 16.2 12.6 91 94 A I E - E 0 98A 24 -21,-1.8 2,-1.0 -2,-0.4 7,-0.2 -0.979 6.6-162.5-110.9 114.7 60.0 18.8 13.4 92 95 A D E > - E 0 97A 46 5,-3.2 5,-2.3 -2,-0.6 4,-0.3 -0.841 9.6-177.8 -94.8 96.1 61.5 22.2 14.1 93 96 A H T > 5S+ 0 0 98 -2,-1.0 3,-1.3 1,-0.2 -1,-0.2 0.910 75.9 56.9 -64.5 -43.8 58.6 23.9 15.9 94 97 A A T 3 5S+ 0 0 90 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.844 119.7 31.4 -56.9 -37.7 60.4 27.3 16.4 95 98 A N T 3 5S- 0 0 106 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.243 105.1-125.3-106.9 11.2 61.0 27.6 12.7 96 99 A K T < 5 + 0 0 115 -3,-1.3 36,-2.6 -4,-0.3 37,-2.0 0.887 62.4 143.7 43.5 50.9 57.8 25.7 11.6 97 100 A T E < -Ef 92 133A 9 -5,-2.3 -5,-3.2 35,-0.2 2,-0.4 -0.957 35.3-164.5-124.3 136.0 60.0 23.4 9.5 98 101 A A E -Ef 91 134A 0 35,-2.5 37,-2.5 -2,-0.4 2,-0.6 -0.981 10.1-149.7-121.6 133.3 59.7 19.7 8.8 99 102 A Y E -Ef 90 135A 62 -9,-2.4 -10,-2.2 -2,-0.4 -9,-1.0 -0.914 22.6-144.2-102.0 121.1 62.4 17.4 7.4 100 103 A I E +Ef 88 136A 3 35,-3.3 37,-0.5 -2,-0.6 2,-0.3 -0.656 20.4 177.4 -94.1 138.6 60.9 14.6 5.4 101 104 A G E +E 87 0A 0 -14,-2.2 -14,-2.6 -2,-0.3 2,-0.3 -0.927 7.4 165.8-129.5 160.9 62.1 11.0 5.1 102 105 A Y E -E 86 0A 32 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.981 14.5-179.9-165.5 156.9 60.8 8.0 3.2 103 106 A W E -E 85 0A 11 -18,-2.2 -18,-1.8 -2,-0.3 2,-0.4 -0.950 7.7-162.9-157.1 153.1 61.3 4.5 1.9 104 107 A L E -E 84 0A 20 -2,-0.3 -20,-0.2 -20,-0.2 5,-0.1 -0.994 28.8-110.4-131.3 141.2 59.3 1.8 0.0 105 108 A G >> - 0 0 0 -22,-2.8 3,-2.4 -2,-0.4 4,-0.6 -0.338 39.9-107.3 -59.0 151.4 59.9 -1.9 -0.4 106 109 A A G >4 S+ 0 0 49 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.845 119.8 57.7 -50.8 -40.6 60.9 -2.8 -4.0 107 110 A N G 34 S+ 0 0 143 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.564 108.5 47.6 -71.5 -6.9 57.4 -4.4 -4.6 108 111 A F G X4 S+ 0 0 19 -3,-2.4 3,-0.6 -25,-0.2 5,-0.4 0.435 88.4 104.3-111.6 -3.9 55.8 -1.0 -3.8 109 112 A Q T << S+ 0 0 87 -3,-1.1 -4,-0.0 -4,-0.6 -3,-0.0 -0.416 70.3 36.9 -78.4 153.3 58.0 1.3 -5.9 110 113 A G T 3 S+ 0 0 89 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.673 90.3 96.7 81.8 19.9 56.8 2.8 -9.2 111 114 A K S < S- 0 0 95 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.275 94.4-113.6-121.5 6.0 53.2 3.3 -7.9 112 115 A G S > S+ 0 0 35 3,-0.1 4,-2.5 1,-0.0 5,-0.2 0.625 72.3 136.7 69.7 14.1 53.3 6.9 -6.8 113 116 A I H > S+ 0 0 1 -5,-0.4 4,-2.2 2,-0.2 5,-0.1 0.917 70.8 40.2 -64.0 -45.8 52.8 5.9 -3.2 114 117 A V H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.919 114.3 53.0 -72.5 -40.8 55.4 8.3 -1.7 115 118 A T H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.940 112.3 45.8 -54.4 -48.5 54.4 11.2 -4.0 116 119 A N H X S+ 0 0 21 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 113.3 50.2 -62.7 -41.8 50.8 10.8 -2.9 117 120 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.929 111.6 47.0 -62.3 -46.8 51.8 10.5 0.8 118 121 A I H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.937 109.8 52.6 -63.3 -46.2 53.9 13.6 0.7 119 122 A N H X S+ 0 0 27 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.916 110.8 48.9 -56.3 -42.5 51.3 15.7 -1.1 120 123 A K H X S+ 0 0 24 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.916 110.8 49.0 -63.0 -45.1 48.8 14.7 1.6 121 124 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.888 111.0 50.3 -62.1 -39.2 51.1 15.5 4.5 122 125 A I H X>S+ 0 0 10 -4,-2.6 4,-2.0 2,-0.2 5,-1.0 0.887 111.3 48.8 -69.8 -36.5 51.9 18.9 3.0 123 126 A Q H X5S+ 0 0 28 -4,-2.2 4,-1.0 -5,-0.2 5,-0.4 0.966 116.3 43.3 -61.7 -51.0 48.1 19.6 2.5 124 127 A E H <5S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 6,-0.2 0.901 129.2 24.2 -66.3 -43.7 47.4 18.6 6.1 125 128 A Y H <>S+ 0 0 59 -4,-2.8 6,-2.5 -5,-0.2 5,-1.0 0.728 128.2 43.5 -93.9 -27.6 50.3 20.4 7.8 126 129 A G H ><5S+ 0 0 2 -4,-2.0 3,-1.5 -5,-0.4 -3,-0.2 0.924 113.0 45.3 -86.8 -51.2 51.1 23.1 5.3 127 130 A D T 3< - 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0 0 20 -4,-2.5 -1,-0.3 1,-0.1 4,-0.2 -0.972 57.1-145.7-140.4 150.5 28.5 11.5 -17.9 225 47 B A S > S+ 0 0 57 -2,-0.3 3,-0.8 1,-0.1 4,-0.2 0.858 88.4 63.1 -84.8 -38.2 25.3 12.7 -19.5 226 48 B W G > S+ 0 0 53 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.748 83.2 73.2 -65.9 -29.6 26.4 13.8 -23.0 227 49 B P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.834 85.3 67.6 -60.0 -30.0 27.7 10.4 -24.5 228 50 B A G < S+ 0 0 44 -3,-0.8 -2,-0.1 1,-0.3 -3,-0.1 0.700 101.8 49.3 -58.2 -21.1 24.1 9.1 -24.9 229 51 B F G < S+ 0 0 148 -3,-1.9 2,-1.3 -4,-0.2 3,-0.3 0.354 78.7 101.5-104.6 1.8 23.6 11.8 -27.6 230 52 B V < + 0 0 16 -3,-1.8 -1,-0.1 -4,-0.3 3,-0.1 -0.706 40.6 141.4 -89.0 89.9 26.7 11.2 -29.7 231 53 B N + 0 0 80 -2,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.782 56.4 31.5-103.7 -35.3 25.0 9.2 -32.5 232 54 B N S >> S- 0 0 91 -3,-0.3 3,-1.5 1,-0.1 4,-0.9 -0.862 78.6-112.9-125.6 157.8 26.7 10.4 -35.7 233 55 B I H >> S+ 0 0 81 -2,-0.3 4,-2.1 1,-0.3 3,-0.5 0.844 116.7 66.9 -54.6 -33.5 30.1 11.6 -36.8 234 56 B S H 3> S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.773 92.4 59.7 -60.2 -28.6 28.4 14.9 -37.4 235 57 B D H <> S+ 0 0 51 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.878 106.4 46.0 -66.3 -39.3 27.8 15.2 -33.6 236 58 B S H S+ 0 0 45 -4,-2.8 5,-1.4 1,-0.2 6,-1.2 0.875 110.0 51.4 -63.7 -38.9 34.8 28.5 -27.0 247 69 B N H <5S+ 0 0 29 -4,-2.5 3,-0.5 2,-0.2 -1,-0.2 0.894 110.7 48.9 -61.9 -43.0 38.7 28.2 -27.0 248 70 B Q H <5S+ 0 0 159 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.895 112.4 46.9 -63.1 -43.9 38.9 31.5 -29.1 249 71 B N H <5S- 0 0 111 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.524 106.0-130.9 -77.5 -7.0 36.5 33.4 -26.8 250 72 B E T <5S+ 0 0 116 -4,-0.6 -3,-0.2 -3,-0.5 24,-0.1 0.692 73.5 123.0 61.1 23.3 38.5 32.0 -23.7 251 73 B K S -KL 196 262B 28 3,-3.0 3,-2.3 -2,-0.6 -63,-0.2 -0.968 68.4 -23.2-120.4 118.5 48.8 9.5 -26.6 260 82 B K T 3 S- 0 0 123 -65,-2.5 -1,-0.2 -2,-0.5 -64,-0.1 0.876 129.9 -45.5 46.9 48.8 51.4 7.6 -28.6 261 83 B T T 3 S+ 0 0 118 -66,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.200 120.3 101.0 84.0 -8.5 49.8 8.8 -31.9 262 84 B K E < S-L 259 0B 103 -3,-2.3 -3,-3.0 -54,-0.0 2,-0.4 -0.845 78.3-113.1-111.7 143.3 46.2 8.0 -30.9 263 85 B I E +L 258 0B 4 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.596 38.0 175.8 -66.8 124.2 43.3 10.2 -29.7 264 86 B A E - 0 0 0 -7,-3.2 22,-2.8 -2,-0.4 2,-0.3 0.595 48.1 -68.6-110.2 -20.6 42.9 9.1 -26.1 265 87 B G E -LM 257 285B 0 -8,-0.9 -8,-2.3 20,-0.3 2,-0.4 -0.985 55.8 -67.9 157.5-158.3 40.2 11.4 -24.7 266 88 B V E -LM 256 284B 0 18,-1.8 18,-2.2 -2,-0.3 2,-0.4 -0.977 25.6-170.6-134.9 140.1 39.6 15.1 -23.7 267 89 B V E +LM 255 283B 0 -12,-2.1 -12,-2.2 -2,-0.4 2,-0.3 -0.993 25.6 167.3-128.7 140.4 40.9 17.3 -21.0 268 90 B S E -LM 254 282B 0 14,-2.6 14,-2.3 -2,-0.4 2,-0.8 -0.983 51.5-131.2-147.5 153.4 39.3 20.7 -20.4 269 91 B F E -LM 253 281B 1 -16,-2.7 -16,-2.6 -2,-0.3 12,-0.3 -0.959 33.9-170.0 -93.3 101.5 38.7 23.8 -18.5 270 92 B N E S+ 0 0 47 10,-2.1 2,-0.4 -2,-0.8 11,-0.1 0.869 74.5 19.2 -59.9 -40.1 34.9 23.5 -18.9 271 93 B I E - M 0 280B 74 9,-1.0 9,-2.5 -3,-0.1 2,-0.5 -1.000 66.5-163.1-131.5 131.5 34.5 27.0 -17.5 272 94 B I E - M 0 279B 14 -21,-2.2 2,-0.9 -2,-0.4 7,-0.2 -0.978 5.5-167.1-111.8 114.8 37.1 29.7 -17.2 273 95 B D E > - M 0 278B 44 5,-3.3 5,-2.3 -2,-0.5 3,-0.3 -0.835 7.7-179.9 -99.7 91.7 36.1 32.4 -14.7 274 96 B H T > 5S+ 0 0 85 -2,-0.9 3,-1.4 1,-0.2 -1,-0.2 0.897 75.8 58.3 -63.2 -41.1 38.6 35.1 -15.4 275 97 B A T 3 5S+ 0 0 88 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.865 118.3 32.5 -58.5 -37.5 37.3 37.6 -12.8 276 98 B N T 3 5S- 0 0 110 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.260 105.9-125.4-103.2 11.7 37.9 35.0 -10.1 277 99 B K T < 5 + 0 0 98 -3,-1.4 36,-2.9 -4,-0.3 37,-2.4 0.883 64.1 140.8 44.2 49.6 40.9 33.4 -11.7 278 100 B T E < -Mn 273 314B 7 -5,-2.3 -5,-3.3 34,-0.2 2,-0.4 -0.963 36.4-166.8-127.0 136.2 39.2 30.0 -11.4 279 101 B A E -Mn 272 315B 0 35,-2.4 37,-2.6 -2,-0.4 2,-0.6 -0.989 11.8-148.5-123.4 134.5 39.1 27.1 -13.9 280 102 B Y E -Mn 271 316B 65 -9,-2.5 -10,-2.1 -2,-0.4 -9,-1.0 -0.912 23.7-144.0-102.4 119.9 36.7 24.1 -13.6 281 103 B I E +M 269 0B 4 35,-3.1 37,-0.5 -2,-0.6 2,-0.3 -0.648 20.1 179.3 -95.4 138.3 38.3 21.0 -15.0 282 104 B G E +M 268 0B 0 -14,-2.3 -14,-2.6 -2,-0.3 2,-0.3 -0.915 8.0 168.5-126.7 160.3 36.7 18.1 -16.9 283 105 B Y E +M 267 0B 26 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.975 13.4 175.5-164.6 152.1 38.2 14.9 -18.3 284 106 B W E -M 266 0B 13 -18,-2.2 -18,-1.8 -2,-0.3 2,-0.4 -0.952 8.3-164.2-155.6 152.0 37.6 11.6 -19.9 285 107 B L E -M 265 0B 20 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.997 29.9-111.4-130.2 140.2 39.7 8.8 -21.4 286 108 B G > - 0 0 0 -22,-2.8 3,-2.4 -2,-0.4 4,-0.4 -0.382 39.4-110.4 -58.8 146.9 38.8 5.9 -23.6 287 109 B A G > S+ 0 0 51 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.826 117.0 63.1 -53.2 -35.3 39.2 2.6 -21.6 288 110 B N G 3 S+ 0 0 125 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.643 106.9 45.4 -64.8 -13.6 42.2 1.6 -23.7 289 111 B F G X S+ 0 0 26 -3,-2.4 3,-0.6 -25,-0.2 5,-0.4 0.375 90.3 105.9-111.8 1.0 44.0 4.6 -22.4 290 112 B Q T < + 0 0 62 -3,-1.3 -4,-0.0 -4,-0.4 -3,-0.0 -0.404 65.6 40.7 -81.0 156.1 43.2 4.3 -18.7 291 113 B G T 3 S+ 0 0 83 -2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.581 90.5 92.9 88.6 12.3 45.7 3.2 -16.1 292 114 B K S < S- 0 0 102 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.286 95.5-112.1-123.0 5.3 48.6 5.1 -17.6 293 115 B G S > S+ 0 0 32 3,-0.1 4,-2.7 1,-0.0 5,-0.2 0.639 71.3 138.0 72.4 15.2 48.6 8.4 -15.7 294 116 B I H > S+ 0 0 1 -5,-0.4 4,-2.1 1,-0.2 5,-0.1 0.908 71.2 39.6 -64.2 -46.4 47.6 10.3 -18.8 295 117 B V H > S+ 0 0 8 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.911 115.1 53.1 -71.4 -40.4 45.0 12.6 -17.3 296 118 B T H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.944 112.7 44.6 -57.6 -46.8 47.1 13.2 -14.2 297 119 B N H X S+ 0 0 64 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.897 113.7 50.6 -66.1 -38.4 50.1 14.2 -16.3 298 120 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.932 112.0 46.2 -62.7 -47.6 47.9 16.4 -18.5 299 121 B I H X S+ 0 0 1 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.919 109.5 54.6 -63.5 -43.6 46.3 18.2 -15.6 300 122 B N H X S+ 0 0 70 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.915 110.5 47.5 -55.9 -42.1 49.7 18.7 -13.9 301 123 B K H X S+ 0 0 32 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.923 111.7 48.7 -64.9 -45.2 50.9 20.4 -17.2 302 124 B L H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.872 111.0 50.7 -63.7 -37.9 47.8 22.6 -17.5 303 125 B I H X S+ 0 0 12 -4,-2.7 4,-2.1 2,-0.2 5,-0.4 0.898 111.2 48.8 -67.7 -40.5 48.1 23.7 -13.9 304 126 B Q H X S+ 0 0 70 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.963 115.7 44.4 -58.8 -50.8 51.8 24.6 -14.4 305 127 B E H X S+ 0 0 24 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.928 122.9 33.2 -62.1 -50.5 51.0 26.5 -17.6 306 128 B Y H <>S+ 0 0 59 -4,-2.9 6,-2.0 2,-0.2 5,-0.8 0.757 120.5 50.6 -83.4 -25.0 48.0 28.5 -16.3 307 129 B G H ><5S+ 0 0 6 -4,-2.1 3,-0.9 -5,-0.3 -2,-0.2 0.893 110.5 49.2 -73.4 -43.8 49.3 28.8 -12.8 308 130 B D H 3<5S+ 0 0 123 -4,-2.6 -2,-0.2 -5,-0.4 -3,-0.2 0.822 107.9 54.4 -62.9 -35.8 52.7 30.1 -13.9 309 131 B S T 3<5S- 0 0 74 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.556 108.9-123.5 -77.5 -10.8 51.1 32.7 -16.2 310 132 B G T < 5S+ 0 0 30 -3,-0.9 -3,-0.1 2,-0.3 -2,-0.1 0.469 81.5 115.7 80.4 3.3 49.0 34.1 -13.3 311 133 B V S - O 0 354B 16 -2,-0.3 3,-1.8 34,-0.3 34,-0.3 -0.231 36.0-125.4 -53.7 135.8 30.0 12.4 -8.2 321 143 B V T 3 S+ 0 0 67 32,-2.2 -1,-0.1 1,-0.3 33,-0.1 0.882 109.4 52.9 -55.3 -40.5 30.9 10.7 -4.9 322 144 B D T 3 S+ 0 0 147 31,-0.3 2,-1.4 1,-0.1 -1,-0.3 0.550 81.4 99.7 -74.0 -8.3 30.3 7.2 -6.3 323 145 B N <> - 0 0 47 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 -0.640 53.4-177.3 -82.7 91.3 32.7 7.8 -9.3 324 146 B K H > S+ 0 0 128 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.898 74.8 45.5 -60.9 -47.3 35.8 6.0 -7.9 325 147 B K H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 111.0 52.0 -70.2 -35.1 38.2 6.7 -10.7 326 148 B S H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.6 47.0 -69.8 -38.3 37.4 10.4 -11.1 327 149 B N H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.900 109.7 54.2 -65.3 -40.9 37.9 11.0 -7.4 328 150 B A H X S+ 0 0 23 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.897 107.6 51.2 -60.3 -40.5 41.2 9.1 -7.5 329 151 B T H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.934 107.6 51.2 -62.7 -47.5 42.4 11.3 -10.3 330 152 B A H <>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 -2,-0.2 0.930 114.1 44.9 -55.6 -45.7 41.5 14.5 -8.4 331 153 B L H ><5S+ 0 0 50 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.912 109.6 54.9 -65.7 -41.3 43.5 13.2 -5.4 332 154 B R H 3<5S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 103.6 56.7 -59.1 -35.6 46.4 12.1 -7.6 333 155 B C T 3<5S- 0 0 5 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.361 123.0-106.8 -80.2 3.5 46.6 15.6 -9.0 334 156 B G T < 5 + 0 0 10 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.731 67.0 152.0 78.5 25.0 47.1 16.9 -5.5 335 157 B F < - 0 0 0 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.3 -0.588 38.4-133.4 -82.6 151.4 43.7 18.5 -5.1 336 158 B T E -P 358 0B 50 22,-3.0 22,-2.3 -2,-0.2 2,-0.4 -0.886 19.2-115.8-107.4 135.1 42.1 18.8 -1.6 337 159 B L E -P 357 0B 71 -2,-0.4 20,-0.3 20,-0.2 3,-0.1 -0.549 29.3-178.2 -66.8 121.2 38.5 17.8 -0.9 338 160 B E E - 0 0 95 18,-3.3 2,-0.3 -2,-0.4 19,-0.2 0.765 54.1 -66.6 -91.9 -30.6 36.6 21.0 0.1 339 161 B G E -P 356 0B 27 17,-1.2 17,-2.4 2,-0.0 2,-0.5 -0.980 52.7 -68.1 166.7-172.7 33.2 19.3 0.8 340 162 B V E -P 355 0B 74 -2,-0.3 2,-0.8 15,-0.2 15,-0.2 -0.940 30.6-149.4-114.2 121.8 30.2 17.5 -0.5 341 163 B L E > -P 354 0B 56 13,-3.2 13,-2.6 -2,-0.5 3,-0.8 -0.834 28.7-131.0 -91.2 107.2 27.8 19.2 -2.8 342 164 B Q E 3 S- 0 0 158 -2,-0.8 11,-0.1 1,-0.2 10,-0.1 -0.412 73.9 -16.0 -69.3 129.2 24.5 17.5 -2.0 343 165 B K E 3 S+ 0 0 127 -2,-0.2 10,-0.3 8,-0.1 -1,-0.2 0.883 91.7 141.0 49.0 53.0 22.3 16.3 -4.8 344 166 B A E < + 0 0 51 8,-1.4 2,-0.4 -3,-0.8 9,-0.2 0.546 48.8 52.4-107.8 -14.0 24.3 18.4 -7.3 345 167 B E E -P 352 0B 35 7,-2.0 7,-2.8 -4,-0.2 2,-0.5 -0.979 65.3-150.1-133.6 125.2 24.7 16.3 -10.4 346 168 B I E +P 351 0B 110 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.802 21.4 166.9 -95.4 123.4 21.9 14.6 -12.4 347 169 B L E > S-P 350 0B 8 3,-2.4 3,-1.8 -2,-0.5 -122,-0.1 -0.998 71.0 -9.3-132.6 132.6 22.7 11.4 -14.3 348 170 B N T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.863 131.0 -51.5 50.4 42.7 20.0 9.1 -15.7 349 171 B G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.495 116.6 105.2 79.9 6.3 17.2 11.0 -13.9 350 172 B V E < - 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