==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-AUG-11 3TEJ . COMPND 2 MOLECULE: ENTEROBACTIN SYNTHASE COMPONENT F; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.LIU,T.ZHENG,S.D.BRUNER . 606 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.6 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 . 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 . 44 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 3 2 2 0 0 2 0 0 1 2 2 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 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 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 1 968 A P 0 0 141 0, 0.0 28,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.6 32.8 96.8 63.2 2 969 A G - 0 0 64 26,-0.1 2,-0.1 25,-0.1 0, 0.0 -0.064 360.0 -72.2 54.1-159.3 35.7 97.2 60.9 3 970 A R - 0 0 138 1,-0.0 25,-0.8 3,-0.0 26,-0.4 -0.366 41.7 -99.5-115.1-164.7 35.2 99.4 57.8 4 971 A A - 0 0 59 23,-0.3 23,-0.2 -2,-0.1 7,-0.1 -0.835 59.0 -69.2-116.8 156.1 33.4 99.2 54.4 5 972 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.119 54.8-129.4 -46.3 137.5 35.1 98.2 51.1 6 973 A K > - 0 0 111 1,-0.2 5,-1.3 -3,-0.1 -3,-0.0 -0.457 36.0 -77.5 -86.9 164.4 37.5 100.9 49.9 7 974 A A T 5S+ 0 0 87 3,-0.2 2,-0.5 -2,-0.1 3,-0.5 -0.271 100.9 3.0 -60.2 145.2 37.4 102.4 46.4 8 975 A G T >5S+ 0 0 43 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.687 129.3 21.8 88.5-125.4 39.0 100.2 43.8 9 976 A S H >5S+ 0 0 27 -2,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.906 126.7 46.2 -47.8 -57.1 40.3 96.7 44.6 10 977 A E H >5S+ 0 0 16 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.878 114.1 49.1 -57.8 -39.8 38.2 96.2 47.8 11 978 A T H >X>S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 3,-0.9 0.972 109.8 50.9 -54.9 -58.4 31.7 88.2 46.9 18 985 A S H 3X>S+ 0 0 36 -4,-2.9 4,-1.7 1,-0.3 5,-0.8 0.877 107.5 53.9 -46.2 -48.3 28.1 89.5 46.7 19 986 A S H 3<5S+ 0 0 90 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.850 120.0 32.4 -57.8 -38.1 27.6 88.0 43.2 20 987 A L H <<5S+ 0 0 43 -4,-1.6 -2,-0.2 -3,-0.9 -3,-0.2 0.950 126.1 34.7 -86.9 -59.0 28.7 84.6 44.5 21 988 A L H <5S- 0 0 42 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.736 107.6-118.6 -70.2 -24.2 27.6 84.3 48.2 22 989 A G T << 0 0 59 -4,-1.7 -3,-0.2 -5,-0.7 -4,-0.2 0.968 360.0 360.0 84.2 64.1 24.4 86.2 47.5 23 990 A C < 0 0 80 -5,-0.8 -1,-0.1 -6,-0.1 -2,-0.1 -0.544 360.0 360.0 175.7 360.0 24.6 89.4 49.7 24 ! 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 25 992 A V 0 0 21 0, 0.0 3,-0.1 0, 0.0 -7,-0.1 0.000 360.0 360.0 360.0 132.6 30.0 92.0 51.0 26 993 A Q + 0 0 109 1,-0.3 2,-0.3 -22,-0.1 -12,-0.0 0.657 360.0 26.3-110.1 -29.2 29.1 94.8 53.3 27 994 A D S > S- 0 0 43 -23,-0.2 3,-1.4 -13,-0.0 -23,-0.3 -0.947 77.2-114.7-136.8 158.1 32.4 95.3 55.2 28 995 A A T 3 S+ 0 0 3 -25,-0.8 41,-2.4 -2,-0.3 40,-0.3 0.638 110.8 61.3 -64.6 -15.8 36.1 94.8 54.5 29 996 A D T 3 S+ 0 0 62 -26,-0.4 2,-0.4 -28,-0.2 -1,-0.3 0.116 70.3 132.3-100.7 21.4 36.3 92.1 57.2 30 997 A A < - 0 0 6 -3,-1.4 2,-0.6 1,-0.1 38,-0.6 -0.616 52.6-136.9 -77.1 124.5 33.8 89.7 55.7 31 998 A D B > -A 67 0A 29 -2,-0.4 4,-1.4 36,-0.2 6,-0.2 -0.730 3.7-151.1 -87.2 117.7 35.1 86.1 55.7 32 999 A F T 4>S+ 0 0 0 34,-3.2 5,-2.1 -2,-0.6 4,-0.3 0.857 93.4 37.5 -51.5 -45.0 34.4 84.2 52.5 33 1000 A F T >45S+ 0 0 8 3,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.874 107.1 59.1 -82.5 -39.9 34.3 80.8 54.1 34 1001 A A T 345S+ 0 0 47 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.829 107.2 53.0 -59.9 -27.8 32.6 81.5 57.4 35 1002 A L T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 1,-0.0 -2,-0.2 0.645 136.2 -78.6 -81.9 -17.1 29.6 82.8 55.4 36 1003 A G T < 5S+ 0 0 49 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.338 84.5 134.2 136.5 -6.2 29.3 79.6 53.2 37 1004 A G < - 0 0 9 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.2 -0.158 27.0-178.5 -69.1 167.4 32.0 79.9 50.6 38 1005 A H > - 0 0 72 78,-0.0 4,-1.5 1,-0.0 3,-0.4 -0.947 45.5 -80.0-156.9 170.7 34.3 77.0 49.6 39 1006 A X H > S+ 0 0 51 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.793 125.5 50.5 -49.7 -37.5 37.3 76.2 47.3 40 1007 A L H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.928 110.3 48.7 -69.4 -42.2 35.1 75.8 44.2 41 1008 A L H > S+ 0 0 37 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.742 111.0 53.9 -67.1 -20.1 33.3 79.1 44.8 42 1009 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.810 100.1 58.4 -81.6 -31.7 36.8 80.5 45.2 43 1010 A M H X S+ 0 0 11 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.834 108.0 48.6 -65.9 -30.0 37.9 79.2 41.8 44 1011 A K H X S+ 0 0 13 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.897 110.5 49.8 -74.4 -43.1 35.0 81.2 40.4 45 1012 A L H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 5,-0.3 0.964 111.5 48.6 -59.4 -54.2 36.1 84.3 42.3 46 1013 A A H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 11,-0.4 0.903 114.7 43.5 -54.4 -49.1 39.7 84.1 41.2 47 1014 A A H X S+ 0 0 9 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.889 115.0 52.2 -66.1 -37.1 38.9 83.6 37.6 48 1015 A Q H X S+ 0 0 40 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.987 113.8 39.9 -60.7 -62.0 36.2 86.3 37.8 49 1016 A L H X S+ 0 0 2 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.856 111.1 61.2 -56.4 -38.5 38.5 89.0 39.3 50 1017 A S H X>S+ 0 0 8 -4,-2.3 5,-1.3 -5,-0.3 4,-1.0 0.946 109.1 39.6 -54.1 -54.5 41.4 87.9 37.0 51 1018 A R H <5S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.747 118.4 54.0 -66.8 -23.1 39.4 88.7 33.9 52 1019 A Q H <5S+ 0 0 99 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.884 119.3 25.6 -81.0 -43.4 38.2 91.8 35.7 53 1020 A V H <5S- 0 0 50 -4,-3.3 -2,-0.2 2,-0.2 -3,-0.2 0.322 102.8-119.3-104.6 7.6 41.4 93.4 36.9 54 1021 A A T <5S+ 0 0 94 -4,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.934 76.4 111.0 55.4 50.3 43.6 92.0 34.1 55 1022 A R S > - 0 0 29 -2,-0.5 4,-1.1 1,-0.1 3,-0.6 -0.759 26.7-128.0-109.8 154.6 44.5 82.5 42.0 59 1026 A P H 3> S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.859 112.8 63.0 -63.0 -33.4 42.0 80.4 44.1 60 1027 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.850 96.2 56.8 -59.1 -35.4 44.9 79.8 46.4 61 1028 A Q H <> S+ 0 0 2 -3,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.876 107.4 48.5 -65.2 -35.4 45.0 83.5 47.1 62 1029 A V H < S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.864 104.8 59.1 -71.7 -36.1 41.4 83.4 48.2 63 1030 A M H < S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.880 116.3 33.3 -60.9 -37.6 42.1 80.4 50.5 64 1031 A V H < S+ 0 0 25 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.509 124.3 43.6 -98.9 -4.1 44.7 82.3 52.5 65 1032 A A < + 0 0 2 -4,-0.9 6,-0.3 -3,-0.2 -1,-0.2 -0.482 63.8 161.7-136.4 61.9 43.1 85.8 52.2 66 1033 A S + 0 0 5 -3,-0.4 -34,-3.2 27,-0.2 2,-0.3 0.440 53.1 86.2 -64.5 -0.5 39.4 85.0 52.9 67 1034 A T B > S-A 31 0A 13 -36,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.757 81.2-130.2-104.3 148.6 38.8 88.6 53.7 68 1035 A V H > S+ 0 0 0 -38,-0.6 4,-2.3 -40,-0.3 5,-0.2 0.949 113.8 48.6 -57.4 -47.4 38.0 91.4 51.3 69 1036 A A H > S+ 0 0 24 -41,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.954 114.4 42.9 -56.0 -57.3 40.7 93.4 52.9 70 1037 A K H > S+ 0 0 108 -42,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.890 115.8 47.2 -60.0 -44.9 43.3 90.6 52.8 71 1038 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 -6,-0.3 -1,-0.2 0.864 109.6 55.1 -67.5 -34.1 42.5 89.6 49.2 72 1039 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.895 106.3 51.5 -63.4 -39.9 42.6 93.2 48.1 73 1040 A T H X S+ 0 0 88 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.852 106.8 54.0 -65.0 -36.0 46.1 93.5 49.6 74 1041 A I H < S+ 0 0 22 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.904 111.9 43.4 -65.4 -42.0 47.2 90.4 47.6 75 1042 A I H < S+ 0 0 30 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.833 115.4 49.7 -72.2 -33.2 46.0 92.0 44.4 76 1043 A D H < S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.768 99.6 81.5 -76.7 -27.7 47.5 95.4 45.3 77 1044 A A S < S- 0 0 40 -4,-1.9 2,-0.4 1,-0.2 5,-0.1 -0.240 105.6 -70.3 -75.7 166.5 50.9 93.9 46.2 78 1045 A E > - 0 0 145 1,-0.2 3,-2.7 2,-0.1 4,-0.4 -0.433 43.2-140.9 -60.0 113.4 53.6 93.0 43.7 79 1046 A E T 3 S+ 0 0 78 -2,-0.4 4,-0.2 1,-0.3 -1,-0.2 0.481 95.7 74.2 -57.6 -1.8 52.2 89.9 42.0 80 1047 A D T 3 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.583 97.6 45.5 -87.8 -11.4 55.7 88.4 42.0 81 1048 A S S < S+ 0 0 73 -3,-2.7 -2,-0.2 -7,-0.1 -1,-0.2 0.430 111.4 50.9-108.7 -3.0 55.4 87.7 45.8 82 1049 A T S > S+ 0 0 5 -4,-0.4 3,-1.2 1,-0.1 -2,-0.1 0.322 75.6 103.0-115.9 4.8 51.9 86.2 45.7 83 1050 A R T 3 S+ 0 0 62 1,-0.2 -1,-0.1 -4,-0.2 -2,-0.1 0.847 87.3 39.2 -57.9 -38.6 52.3 83.6 43.0 84 1051 A R T > S+ 0 0 139 -4,-0.1 3,-2.4 -3,-0.1 -1,-0.2 0.342 80.6 136.0 -97.3 8.5 52.6 80.7 45.4 85 1052 A M T < S+ 0 0 44 -3,-1.2 -22,-0.1 1,-0.3 -23,-0.1 -0.371 78.0 14.7 -62.9 124.9 49.9 81.7 47.9 86 1053 A G T 3 S+ 0 0 3 4,-0.3 -1,-0.3 -2,-0.2 26,-0.1 0.274 116.1 78.4 94.7 -8.1 47.7 78.8 48.8 87 1054 A F S < S+ 0 0 36 -3,-2.4 47,-0.2 23,-0.1 -2,-0.2 0.186 72.0 100.4-115.6 14.0 50.3 76.4 47.3 88 1055 A E S S- 0 0 75 2,-0.3 43,-0.2 -4,-0.2 44,-0.1 -0.517 86.7-101.0-100.5 168.6 52.9 76.3 50.0 89 1056 A T S S+ 0 0 46 -2,-0.2 42,-3.2 41,-0.1 2,-0.5 0.908 111.8 53.9 -49.5 -49.3 53.6 73.8 52.8 90 1057 A I E -B 130 0B 43 40,-0.2 -2,-0.3 2,-0.0 -4,-0.3 -0.790 69.3-169.3 -93.8 127.7 51.8 76.0 55.3 91 1058 A L E -B 129 0B 0 38,-2.6 38,-3.0 -2,-0.5 2,-1.7 -0.891 8.6-157.3-119.9 99.4 48.2 77.0 54.5 92 1059 A P E +B 128 0B 49 0, 0.0 36,-0.2 0, 0.0 3,-0.2 -0.550 23.4 164.7 -79.4 84.5 46.9 79.6 56.9 93 1060 A L E S- 0 0 3 -2,-1.7 2,-0.3 34,-1.1 -27,-0.2 0.861 74.5 -2.9 -66.5 -36.7 43.2 79.1 56.5 94 1061 A R E -B 127 0B 45 33,-1.7 33,-2.6 -3,-0.2 2,-0.5 -0.934 64.9-148.0-158.9 132.6 42.5 81.2 59.7 95 1062 A E + 0 0 162 -2,-0.3 2,-0.2 31,-0.2 31,-0.1 -0.899 24.1 174.5-106.0 127.5 44.8 82.9 62.2 96 1063 A G - 0 0 23 -2,-0.5 28,-0.2 2,-0.1 29,-0.2 -0.678 40.0-118.8-121.3 178.8 43.7 83.1 65.8 97 1064 A N S S+ 0 0 151 -2,-0.2 28,-0.2 26,-0.2 27,-0.1 -0.128 93.2 44.4-110.7 35.9 45.2 84.3 69.1 98 1065 A G S S- 0 0 36 26,-1.4 -2,-0.1 1,-0.4 27,-0.1 -0.456 103.3 -15.1-144.7-142.0 45.0 80.9 70.8 99 1066 A P - 0 0 44 0, 0.0 27,-2.2 0, 0.0 -1,-0.4 -0.127 60.1-127.8 -67.5 169.4 45.7 77.2 70.1 100 1067 A T E -c 126 0B 23 25,-0.2 2,-0.7 -3,-0.1 66,-0.5 -0.967 6.0-151.9-124.4 135.4 46.2 75.9 66.6 101 1068 A L E -cd 127 166B 0 25,-2.6 27,-2.1 -2,-0.4 2,-0.5 -0.928 18.2-153.1-104.3 111.8 44.4 73.0 64.9 102 1069 A F E -cd 128 167B 2 64,-2.4 66,-2.5 -2,-0.7 2,-0.5 -0.773 9.0-160.8 -89.0 125.9 46.8 71.5 62.3 103 1070 A C E -cd 129 168B 0 25,-2.8 27,-2.9 -2,-0.5 2,-0.4 -0.932 6.8-142.9-112.5 124.1 45.0 69.8 59.5 104 1071 A F E -cd 130 169B 0 64,-2.9 66,-1.2 -2,-0.5 69,-0.2 -0.703 20.8-113.6 -94.3 133.2 46.8 67.3 57.2 105 1072 A H - 0 0 0 25,-1.8 71,-0.2 -2,-0.4 6,-0.2 -0.086 21.4-129.5 -59.2 150.4 46.2 67.0 53.5 106 1073 A P > - 0 0 9 0, 0.0 3,-2.2 0, 0.0 65,-0.1 -0.104 57.0 -63.3 -84.5-167.1 44.6 64.0 51.7 107 1074 A A T 3 S+ 0 0 19 1,-0.3 142,-0.3 2,-0.1 141,-0.1 0.712 130.1 69.2 -55.2 -24.0 46.2 62.4 48.7 108 1075 A S T 3 S- 0 0 1 2,-0.2 -1,-0.3 1,-0.1 137,-0.3 0.734 102.5-129.4 -68.1 -21.9 45.9 65.5 46.6 109 1076 A G S < S+ 0 0 1 -3,-2.2 23,-2.4 1,-0.3 2,-0.3 0.392 73.3 110.6 86.7 -4.7 48.5 67.2 48.8 110 1077 A F - 0 0 7 21,-0.2 -1,-0.3 -6,-0.1 3,-0.2 -0.803 51.6-164.3-104.5 147.0 46.2 70.2 49.3 111 1078 A A > + 0 0 0 -2,-0.3 3,-1.5 -6,-0.2 4,-0.1 0.130 56.2 115.0-114.0 21.0 44.5 71.2 52.6 112 1079 A W G > + 0 0 0 1,-0.3 3,-1.9 2,-0.2 -73,-0.2 0.801 65.0 68.7 -59.6 -32.6 42.0 73.6 51.0 113 1080 A Q G > S+ 0 0 37 1,-0.3 3,-1.3 -3,-0.2 -1,-0.3 0.708 83.0 73.2 -62.3 -20.6 39.0 71.4 52.0 114 1081 A F G X + 0 0 0 -3,-1.5 3,-2.1 1,-0.3 4,-0.3 0.511 67.4 93.1 -73.5 -1.1 39.6 72.1 55.7 115 1082 A S G X + 0 0 7 -3,-1.9 3,-1.7 1,-0.3 4,-0.3 0.764 68.2 78.0 -61.2 -21.5 38.2 75.6 55.1 116 1083 A V G X S+ 0 0 21 -3,-1.3 3,-0.6 1,-0.3 -1,-0.3 0.716 81.7 66.1 -60.8 -19.3 34.9 74.1 56.2 117 1084 A L G X> S+ 0 0 0 -3,-2.1 4,-2.1 1,-0.2 3,-1.7 0.720 79.1 82.3 -74.9 -21.4 36.2 74.3 59.8 118 1085 A S G <4 S+ 0 0 5 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.832 88.8 51.2 -52.5 -39.2 36.1 78.1 59.7 119 1086 A R G <4 S+ 0 0 60 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.597 117.0 39.3 -76.8 -10.7 32.4 78.3 60.5 120 1087 A Y T <4 S+ 0 0 52 -3,-1.7 2,-0.2 -4,-0.2 -2,-0.2 0.800 89.7 85.7-109.7 -38.2 32.7 76.0 63.5 121 1088 A L S < S- 0 0 9 -4,-2.1 6,-0.0 1,-0.1 196,-0.0 -0.489 82.7-105.7 -74.6 137.6 35.8 76.7 65.6 122 1089 A D > - 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0 0 3 -30,-0.1 -1,-0.2 69,-0.1 -27,-0.1 -0.810 18.6-168.4-101.7 138.8 40.9 57.0 58.0 200 1167 A W - 0 0 32 -2,-0.4 -25,-0.1 83,-0.0 5,-0.1 -0.928 33.9 -95.3-126.2 151.0 41.8 53.3 58.1 201 1168 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.423 32.7-130.8 -61.9 133.0 45.1 51.6 58.9 202 1169 A P T >> S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 3,-1.9 0.818 105.3 68.9 -55.8 -27.0 46.8 50.9 55.5 203 1170 A E H 3> S+ 0 0 58 1,-0.3 4,-0.9 2,-0.2 54,-0.0 0.798 91.6 57.6 -60.5 -31.4 47.3 47.3 56.7 204 1171 A T H <4 S+ 0 0 28 -3,-1.8 -1,-0.3 1,-0.2 79,-0.0 0.309 120.1 30.5 -83.7 11.7 43.5 46.7 56.4 205 1172 A Q H X4 S+ 0 0 89 -3,-1.9 3,-0.8 -4,-0.1 -2,-0.2 0.516 109.4 62.8-136.7 -28.5 43.8 47.7 52.8 206 1173 A N H 3< S+ 0 0 67 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.734 83.5 77.5 -76.5 -23.6 47.3 46.7 51.6 207 1174 A W T 3< 0 0 194 -4,-0.9 -1,-0.2 -5,-0.2 -3,-0.1 0.739 360.0 360.0 -58.3 -19.9 46.8 43.0 52.2 208 1175 A Q < 0 0 182 -3,-0.8 -1,-0.2 0, 0.0 -2,-0.2 0.983 360.0 360.0 -62.1 360.0 44.8 43.1 48.9 209 ! 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 0.0 210 1181 A G 0 0 98 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 48.5 51.1 40.8 211 1182 A L - 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0 0 37 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.343 35.4-114.8 -75.8 160.6 34.5 47.5 62.0 280 1251 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.884 115.9 54.5 -64.0 -37.4 36.4 50.7 62.9 281 1252 A E H > S+ 0 0 88 1,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.888 110.4 45.4 -63.4 -40.4 37.1 49.4 66.4 282 1253 A R H 4 S+ 0 0 146 2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.883 111.6 51.7 -71.2 -39.3 38.6 46.2 65.1 283 1254 A A H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 117.7 36.5 -65.9 -39.9 40.7 47.8 62.5 284 1255 A W H >X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 3,-1.6 0.554 84.7 103.4 -92.2 -8.4 42.3 50.3 64.9 285 1256 A S T 3< S+ 0 0 89 -4,-1.0 -1,-0.2 1,-0.3 3,-0.1 0.836 83.7 44.9 -44.0 -47.1 42.6 48.2 68.0 286 1257 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.709 121.8 36.9 -74.1 -17.7 46.4 47.5 67.6 287 1258 A W T <4 S+ 0 0 50 -3,-1.6 -26,-2.4 1,-0.2 2,-0.4 0.541 111.6 48.2-115.1 -8.3 47.3 51.2 66.8 288 1259 A I E < -g 261 0B 8 -4,-1.9 -1,-0.2 -28,-0.2 -26,-0.2 -0.983 60.5-156.0-136.0 123.0 45.1 53.5 68.8 289 1260 A A E S+ 0 0 82 -28,-2.0 2,-0.4 -26,-0.4 -25,-0.2 0.954 81.7 20.1 -61.9 -55.1 44.6 53.0 72.6 290 1261 A E E -g 264 0B 41 -27,-2.1 -25,-2.7 2,-0.0 2,-0.4 -0.968 70.0-168.7-122.3 135.7 41.3 54.8 73.0 291 1262 A L E -g 265 0B 42 -2,-0.4 2,-0.7 -27,-0.2 -25,-0.2 -0.973 11.5-167.3-131.2 121.6 38.8 55.5 70.2 292 1263 A D E -g 266 0B 24 -27,-2.9 -25,-2.4 -2,-0.4 2,-0.4 -0.929 22.7-160.0-103.5 113.9 35.7 57.7 70.2 293 1264 A I E -g 267 0B 14 -2,-0.7 2,-0.5 -27,-0.2 -25,-0.2 -0.813 17.0-174.4-104.2 134.0 33.7 57.0 67.1 294 1265 A Y E -g 268 0B 6 -27,-3.0 -25,-1.6 -2,-0.4 2,-0.3 -0.941 18.5-147.1-125.4 107.2 31.1 59.2 65.5 295 1266 A R E -g 269 0B 106 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.555 12.4-162.4 -77.1 133.9 29.3 57.5 62.5 296 1267 A Q E -g 270 0B 15 -27,-3.4 -25,-2.5 -2,-0.3 2,-1.9 -0.908 25.3-122.6-116.9 144.8 28.1 59.8 59.7 297 1268 A D S S+ 0 0 106 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.1 -0.482 78.3 88.3 -85.7 70.0 25.5 58.9 57.0 298 1269 A C S S- 0 0 6 -2,-1.9 -26,-1.5 -29,-0.2 -25,-0.6 -0.933 76.0 -97.0-153.1 174.7 27.8 59.5 54.0 299 1270 A A > - 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0 0 57 -23,-0.1 3,-2.3 1,-0.1 41,-0.3 -0.947 58.5-156.5-116.6 111.9 17.5 40.6 74.1 350 995 B A T 3 S+ 0 0 0 -25,-2.8 41,-2.6 -2,-0.6 42,-0.3 0.662 98.5 51.3 -60.5 -16.8 16.3 40.8 77.7 351 996 B D T 3 S+ 0 0 84 -26,-0.2 -1,-0.3 39,-0.2 37,-0.0 0.354 77.5 136.1-102.3 6.1 18.5 43.8 78.2 352 997 B A < - 0 0 8 -3,-2.3 38,-1.5 1,-0.1 2,-0.6 -0.292 50.3-137.7 -53.9 133.3 17.0 45.7 75.2 353 998 B D B > -H 389 0C 21 36,-0.2 4,-1.8 1,-0.1 36,-0.2 -0.884 4.4-149.2-104.8 119.2 16.4 49.3 76.1 354 999 B F T 4>S+ 0 0 0 34,-3.3 5,-2.5 -2,-0.6 -1,-0.1 0.852 97.1 38.2 -50.5 -45.7 13.2 50.9 74.9 355 1000 B F T >45S+ 0 0 0 3,-0.2 3,-1.7 1,-0.2 85,-0.2 0.856 110.6 55.9 -80.2 -36.6 14.6 54.4 74.7 356 1001 B A T 345S+ 0 0 41 1,-0.3 -2,-0.2 83,-0.2 -1,-0.2 0.833 107.9 54.6 -64.9 -26.8 18.1 53.6 73.4 357 1002 B L T 3<5S- 0 0 85 -4,-1.8 -1,-0.3 1,-0.0 -2,-0.2 0.348 134.8 -83.4 -88.3 7.1 16.2 51.8 70.6 358 1003 B G T < 5S+ 0 0 31 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.372 83.2 135.1 112.0 -7.7 14.1 54.9 69.6 359 1004 B G < - 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