==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 14-DEC-04 1Y8Z . COMPND 2 MOLECULE: 5'-D(*GP*AP*TP*AP*CP*TP*(5HU)P*AP*GP*AP*TP*AP*G)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.LARIVIERE,N.SOMMER,S.MORERA . 764 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 1 2 4 7 1 2 0 3 3 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 8 9 4 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 4 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 1 999 A G 0 0 84 0, 0.0 32,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 50.2 16.3 31.8 106.7 2 1000 A S + 0 0 91 30,-0.3 2,-0.2 1,-0.1 32,-0.1 0.987 360.0 165.9 51.8 82.9 13.6 32.0 104.0 3 1001 A M - 0 0 40 32,-0.0 32,-2.2 75,-0.0 2,-0.6 -0.698 41.9-106.5-121.2 171.7 14.3 35.3 102.4 4 1002 A R E -a 35 0A 68 -2,-0.2 74,-3.0 30,-0.2 75,-1.8 -0.894 36.6-161.8-101.3 123.3 13.3 37.3 99.3 5 1003 A I E -ab 36 79A 0 30,-3.6 32,-2.5 -2,-0.6 2,-0.6 -0.908 10.9-165.2-111.7 129.5 16.2 37.5 96.9 6 1004 A C E -ab 37 80A 0 73,-2.6 75,-3.2 -2,-0.5 2,-0.6 -0.963 7.1-162.3-113.2 117.0 16.5 40.0 94.0 7 1005 A I E -ab 38 81A 0 30,-2.7 32,-3.0 -2,-0.6 2,-0.5 -0.895 13.8-165.6 -98.4 121.3 19.2 39.2 91.5 8 1006 A F E -ab 39 82A 4 73,-3.5 75,-1.7 -2,-0.6 2,-0.9 -0.923 22.4-173.2-120.7 117.4 20.0 42.3 89.4 9 1007 A M E > +ab 40 84A 0 30,-2.8 32,-2.0 -2,-0.5 3,-0.7 -0.831 10.9 176.9-105.3 90.9 22.0 42.4 86.2 10 1008 A A T 3 S+ 0 0 2 74,-1.9 75,-0.2 -2,-0.9 77,-0.2 0.533 76.6 60.1 -72.2 -8.6 22.2 46.2 85.7 11 1009 A R T 3 S- 0 0 48 1,-0.4 76,-0.3 75,-0.2 -1,-0.2 0.730 118.2-104.7 -88.2 -24.7 24.3 45.8 82.6 12 1010 A G < - 0 0 0 -3,-0.7 2,-1.1 27,-0.1 -1,-0.4 -0.656 46.0 -56.7 123.9 178.6 21.5 43.9 80.9 13 1011 A L + 0 0 3 31,-0.3 33,-0.3 28,-0.2 27,-0.1 -0.780 56.5 175.0 -97.1 94.2 21.0 40.2 80.1 14 1012 A E - 0 0 11 -2,-1.1 34,-0.6 31,-0.1 -1,-0.2 0.731 35.8-128.8 -75.2 -24.5 24.2 39.5 78.1 15 1013 A G S S+ 0 0 4 1,-0.2 -2,-0.1 34,-0.1 -1,-0.1 0.549 74.0 87.1 90.0 6.1 23.7 35.8 77.7 16 1014 A X S > S- 0 0 73 35,-0.0 4,-2.7 36,-0.0 -1,-0.2 0.059 99.7 -39.1-111.7-138.2 27.2 34.6 78.8 17 1015 A G H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.801 132.5 50.8 -63.0 -33.5 28.7 33.8 82.2 18 1016 A V H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 114.0 44.9 -72.3 -41.1 27.0 36.5 84.2 19 1017 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.944 114.6 49.3 -65.6 -46.2 23.6 35.5 82.9 20 1018 A K H X S+ 0 0 20 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.921 111.4 49.1 -58.7 -45.1 24.3 31.8 83.4 21 1019 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.933 110.1 51.1 -60.2 -47.1 25.5 32.5 87.0 22 1020 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.876 111.7 48.0 -59.6 -37.5 22.4 34.6 87.8 23 1021 A L H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.907 114.2 44.9 -70.6 -41.0 20.2 31.7 86.4 24 1022 A E H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.859 112.9 52.5 -69.3 -34.6 22.1 29.1 88.5 25 1023 A Q H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.934 108.9 49.3 -65.2 -46.8 22.0 31.4 91.5 26 1024 A R H X S+ 0 0 48 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.944 110.4 51.4 -56.8 -49.2 18.2 31.8 91.2 27 1025 A D H X S+ 0 0 61 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.905 110.3 48.5 -56.2 -44.7 17.8 28.0 90.9 28 1026 A W H X S+ 0 0 18 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.928 111.5 48.4 -64.1 -45.4 19.8 27.4 94.0 29 1027 A F H <>S+ 0 0 4 -4,-2.6 5,-2.7 2,-0.2 -2,-0.2 0.922 114.9 45.8 -62.1 -40.6 17.9 29.9 96.1 30 1028 A I H ><5S+ 0 0 72 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.936 110.8 52.9 -65.6 -45.9 14.6 28.5 94.9 31 1029 A K H 3<5S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.4 51.7 -57.8 -34.1 15.7 25.0 95.5 32 1030 A N T 3<5S- 0 0 70 -4,-2.0 -1,-0.3 -5,-0.2 -30,-0.3 0.082 126.7 -92.0 -95.3 23.9 16.7 26.0 99.1 33 1031 A G T < 5S+ 0 0 50 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.529 83.4 121.2 86.3 8.4 13.4 27.6 100.1 34 1032 A H < - 0 0 17 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.636 59.6-118.5-104.4 162.5 13.8 31.3 99.2 35 1033 A E E -a 4 0A 118 -32,-2.2 -30,-3.6 -2,-0.2 2,-0.4 -0.822 32.6-164.0 -98.3 138.7 11.8 33.5 96.9 36 1034 A V E -a 5 0A 27 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.967 19.7-172.0-131.2 141.2 13.6 35.0 93.9 37 1035 A T E -a 6 0A 20 -32,-2.5 -30,-2.7 -2,-0.4 2,-0.6 -0.998 15.7-154.7-124.2 127.6 13.0 37.8 91.4 38 1036 A L E +ac 7 58A 0 19,-0.6 21,-2.6 -2,-0.4 2,-0.4 -0.938 19.7 179.3-109.2 115.0 15.5 38.1 88.5 39 1037 A V E -ac 8 59A 1 -32,-3.0 -30,-2.8 -2,-0.6 2,-0.3 -0.904 9.0-179.8-119.3 140.7 15.8 41.6 87.1 40 1038 A Y E -ac 9 60A 27 19,-2.2 21,-2.0 -2,-0.4 2,-0.4 -0.999 30.7-119.2-140.8 144.2 17.8 43.1 84.3 41 1039 A A E - c 0 61A 1 -32,-2.0 3,-0.4 -2,-0.3 -28,-0.2 -0.674 20.6-165.8 -77.9 128.6 18.2 46.6 82.8 42 1040 A K + 0 0 56 19,-1.9 20,-0.2 -2,-0.4 -1,-0.1 0.266 57.4 111.6-101.1 14.7 17.2 46.4 79.2 43 1041 A D S S+ 0 0 45 18,-0.5 2,-0.4 -33,-0.1 -1,-0.2 0.850 86.2 37.3 -52.5 -34.8 18.7 49.8 78.3 44 1042 A K S S- 0 0 71 -3,-0.4 -31,-0.3 -33,-0.2 2,-0.3 -0.968 80.2-151.2-122.4 135.5 21.2 47.8 76.2 45 1043 A S - 0 0 101 -2,-0.4 2,-0.3 -33,-0.1 -31,-0.1 -0.725 8.4-153.1-104.4 156.8 20.5 44.7 74.3 46 1044 A F > - 0 0 42 -33,-0.3 3,-1.3 -2,-0.3 -33,-0.0 -0.946 23.1-122.8-131.2 151.8 22.8 41.8 73.5 47 1045 A T G > S+ 0 0 117 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.882 108.0 51.2 -56.7 -45.5 23.1 39.2 70.8 48 1046 A R G >> + 0 0 21 -34,-0.6 3,-1.5 1,-0.2 4,-0.5 0.080 67.7 120.3 -86.2 25.6 23.0 36.2 73.0 49 1047 A T G <4 S+ 0 0 40 -3,-1.3 3,-0.3 1,-0.3 5,-0.2 0.812 80.7 45.8 -59.0 -27.9 19.8 37.2 75.0 50 1048 A S G <4 S+ 0 0 58 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.486 84.9 92.5 -94.2 -2.7 18.2 33.9 73.8 51 1049 A S T <4 S+ 0 0 9 -3,-1.5 218,-2.3 217,-0.1 219,-0.4 0.885 89.2 45.2 -58.2 -39.6 21.1 31.6 74.5 52 1050 A H S < S- 0 0 17 -4,-0.5 2,-1.3 -3,-0.3 3,-0.3 -0.805 91.4-114.4-107.7 149.7 19.7 30.8 78.0 53 1051 A D + 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.648 69.5 120.3 -83.8 91.4 16.1 30.0 78.9 54 1052 A H >> + 0 0 0 -2,-1.3 3,-2.6 -5,-0.2 4,-2.5 0.589 36.2 95.8-125.7 -20.4 15.1 33.0 81.1 55 1053 A K T 34 S+ 0 0 120 -3,-0.3 -2,-0.1 1,-0.3 -5,-0.0 0.710 78.3 63.4 -50.8 -26.2 12.1 34.7 79.4 56 1054 A S T 34 S+ 0 0 106 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.564 124.2 13.5 -78.5 -5.1 9.5 32.9 81.5 57 1055 A F T <4 S+ 0 0 48 -3,-2.6 -19,-0.6 -20,-0.0 -2,-0.2 0.541 96.1 103.8-143.1 -15.7 10.8 34.5 84.7 58 1056 A S E < -c 38 0A 16 -4,-2.5 -19,-0.2 -21,-0.1 -4,-0.0 -0.427 54.8-145.6 -75.0 151.1 13.2 37.4 84.1 59 1057 A I E -c 39 0A 56 -21,-2.6 -19,-2.2 -2,-0.1 2,-0.2 -0.944 10.5-156.2-121.7 109.3 11.9 40.9 84.6 60 1058 A P E -c 40 0A 41 0, 0.0 2,-0.3 0, 0.0 -19,-0.2 -0.589 13.1-179.5 -83.9 145.8 13.3 43.6 82.2 61 1059 A V E -c 41 0A 0 -21,-2.0 -19,-1.9 -2,-0.2 2,-0.9 -0.988 27.0-133.5-146.7 135.2 13.4 47.3 83.2 62 1060 A I >> - 0 0 11 -2,-0.3 4,-2.4 -21,-0.2 3,-0.5 -0.799 15.3-165.7 -90.9 105.3 14.5 50.4 81.4 63 1061 A L T 34 S+ 0 0 1 -2,-0.9 4,-0.2 1,-0.2 -1,-0.2 0.839 83.5 62.5 -58.2 -36.1 16.6 52.3 83.9 64 1062 A A T 34 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.885 125.5 9.3 -60.0 -41.7 16.6 55.4 81.7 65 1063 A K T <4 S+ 0 0 110 -3,-0.5 -2,-0.2 547,-0.1 -1,-0.2 0.393 125.1 57.2-123.8 5.1 12.8 55.9 81.9 66 1064 A E X + 0 0 53 -4,-2.4 4,-2.4 1,-0.1 5,-0.2 -0.213 52.8 138.7-129.4 44.4 11.5 53.4 84.5 67 1065 A Y H > S+ 0 0 29 -4,-0.2 4,-3.1 1,-0.2 5,-0.2 0.900 75.4 54.5 -53.6 -43.1 13.4 54.4 87.6 68 1066 A D H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 108.1 47.0 -59.7 -43.8 10.2 54.0 89.7 69 1067 A K H > S+ 0 0 87 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.906 115.0 47.6 -64.9 -41.7 9.6 50.4 88.5 70 1068 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.914 109.4 53.3 -65.5 -43.6 13.3 49.5 89.1 71 1069 A L H X S+ 0 0 36 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.915 108.2 48.8 -60.1 -45.2 13.2 51.1 92.6 72 1070 A K H < S+ 0 0 151 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.857 112.7 50.5 -64.1 -34.2 10.2 49.1 93.7 73 1071 A L H >< S+ 0 0 35 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.983 112.3 42.7 -67.3 -57.4 11.8 45.9 92.4 74 1072 A V H 3< S+ 0 0 2 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.739 115.5 51.1 -63.3 -23.1 15.2 46.3 94.1 75 1073 A N T 3< S+ 0 0 31 -4,-1.6 2,-0.5 -5,-0.3 -1,-0.3 0.520 91.9 78.4 -91.4 -5.6 13.6 47.4 97.4 76 1074 A D S < S+ 0 0 87 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.314 87.1 70.3 -96.4 48.5 11.2 44.5 97.5 77 1075 A C - 0 0 7 -2,-0.5 -72,-0.2 -3,-0.2 3,-0.2 -0.948 70.0-136.8-152.0 171.8 13.8 42.0 98.8 78 1076 A D S S+ 0 0 84 -74,-3.0 32,-2.2 1,-0.4 2,-0.4 0.713 99.8 30.7 -99.7 -34.8 15.8 41.1 101.9 79 1077 A I E -bd 5 110A 6 -75,-1.8 -73,-2.6 30,-0.2 2,-0.6 -0.995 69.7-160.8-131.0 124.7 19.0 40.6 99.9 80 1078 A L E -bd 6 111A 1 30,-2.2 32,-3.1 -2,-0.4 2,-0.6 -0.932 7.5-163.2-107.0 118.8 19.9 42.4 96.6 81 1079 A I E -bd 7 112A 0 -75,-3.2 -73,-3.5 -2,-0.6 2,-0.7 -0.907 0.7-164.9-107.4 114.1 22.5 40.7 94.5 82 1080 A I E +bd 8 113A 2 30,-2.7 32,-1.9 -2,-0.6 -73,-0.2 -0.867 15.6 168.8-101.7 109.8 24.1 42.9 91.8 83 1081 A N E + 0 0 6 -75,-1.7 33,-0.4 -2,-0.7 2,-0.3 0.550 66.5 13.2 -96.0 -10.2 26.0 40.8 89.3 84 1082 A S E -b 9 0A 15 -76,-0.9 -74,-1.9 31,-0.1 -1,-0.2 -0.982 62.5-147.3-161.8 155.6 26.7 43.5 86.7 85 1083 A V - 0 0 7 -2,-0.3 43,-0.1 -75,-0.2 -74,-0.1 -0.811 43.8 -65.6-124.5 164.3 26.5 47.3 86.3 86 1084 A P - 0 0 1 0, 0.0 41,-2.2 0, 0.0 -75,-0.2 -0.128 52.0-117.9 -51.2 141.1 25.7 49.6 83.3 87 1085 A A B > -G 126 0B 2 -76,-0.3 3,-1.5 39,-0.2 39,-0.2 -0.368 24.3-110.9 -76.8 158.8 28.1 49.6 80.4 88 1086 A T T 3 S+ 0 0 68 37,-1.1 38,-0.1 1,-0.3 -1,-0.1 0.534 112.8 67.5 -69.2 -3.8 30.0 52.8 79.4 89 1087 A S T 3 S+ 0 0 74 36,-0.2 -1,-0.3 2,-0.0 37,-0.0 0.558 76.2 103.4 -93.2 -10.3 27.9 53.0 76.3 90 1088 A V S < S- 0 0 26 -3,-1.5 2,-0.1 1,-0.1 -46,-0.0 -0.219 78.3 -98.7 -69.8 163.4 24.5 53.8 78.0 91 1089 A Q >> - 0 0 140 1,-0.1 4,-1.4 -48,-0.1 3,-1.1 -0.386 35.9-102.0 -80.0 161.3 23.0 57.3 78.0 92 1090 A E H 3> S+ 0 0 135 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.832 120.1 60.9 -50.5 -38.5 23.3 59.6 81.0 93 1091 A A H 3> S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.859 103.3 51.2 -58.9 -38.4 19.8 58.8 82.1 94 1092 A T H <> S+ 0 0 6 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.953 116.1 36.5 -67.0 -52.5 20.6 55.1 82.6 95 1093 A I H X S+ 0 0 7 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.876 115.8 58.1 -69.6 -33.9 23.7 55.6 84.7 96 1094 A N H X S+ 0 0 77 -4,-2.9 4,-1.6 -5,-0.3 -2,-0.2 0.940 111.1 39.4 -60.0 -49.2 22.0 58.5 86.5 97 1095 A N H X S+ 0 0 20 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.810 112.4 57.2 -72.7 -28.3 19.1 56.5 87.6 98 1096 A Y H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.966 109.9 44.4 -64.7 -49.4 21.2 53.4 88.4 99 1097 A K H X S+ 0 0 77 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.844 111.0 55.3 -61.4 -34.1 23.3 55.5 90.8 100 1098 A K H X S+ 0 0 88 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.886 104.5 54.3 -66.4 -37.6 20.1 57.0 92.2 101 1099 A L H < S+ 0 0 2 -4,-2.1 4,-0.5 1,-0.2 3,-0.5 0.921 103.7 54.5 -60.8 -46.4 18.8 53.5 92.9 102 1100 A L H >< S+ 0 0 5 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.887 110.0 47.4 -55.8 -40.6 21.9 52.7 94.9 103 1101 A D H 3< S+ 0 0 130 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.748 114.1 46.9 -73.1 -26.1 21.3 55.7 97.1 104 1102 A N T 3< S+ 0 0 86 -4,-1.4 2,-0.3 -3,-0.5 -1,-0.2 0.227 79.1 114.4-105.1 15.9 17.6 54.9 97.6 105 1103 A I S < S- 0 0 8 -3,-0.7 -30,-0.1 -4,-0.5 -34,-0.0 -0.677 85.2 -91.2 -82.4 137.2 17.7 51.2 98.5 106 1104 A K > - 0 0 109 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 -0.226 31.7-131.0 -47.9 131.9 16.6 50.6 102.1 107 1105 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.761 106.3 61.1 -58.4 -24.3 19.8 50.7 104.3 108 1106 A S T 3 S+ 0 0 98 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.668 78.9 101.4 -77.9 -19.7 18.6 47.4 105.8 109 1107 A I S < S- 0 0 4 -3,-1.6 2,-0.8 1,-0.1 -30,-0.2 -0.506 77.4-127.2 -68.6 131.7 18.7 45.5 102.5 110 1108 A R E -d 79 0A 100 -32,-2.2 -30,-2.2 -2,-0.2 2,-0.6 -0.740 24.3-154.9 -83.7 112.9 21.9 43.4 102.4 111 1109 A V E -d 80 0A 0 -2,-0.8 26,-3.7 24,-0.3 27,-1.8 -0.811 9.2-168.9 -96.2 122.0 23.6 44.3 99.1 112 1110 A V E -de 81 138A 0 -32,-3.1 -30,-2.7 -2,-0.6 2,-0.5 -0.943 2.4-162.8-113.1 123.0 25.9 41.6 97.6 113 1111 A V E -de 82 139A 4 25,-3.1 27,-2.9 -2,-0.5 2,-0.6 -0.921 4.0-168.5-111.2 124.6 28.1 42.5 94.7 114 1112 A Y E - e 0 140A 4 -32,-1.9 2,-0.8 -2,-0.5 27,-0.2 -0.952 10.6-153.5-108.5 120.0 29.7 39.8 92.6 115 1113 A Q + 0 0 13 25,-2.8 27,-0.5 -2,-0.6 -31,-0.1 -0.863 16.7 176.8 -95.4 112.9 32.5 41.0 90.2 116 1114 A H + 0 0 17 -2,-0.8 2,-0.2 -33,-0.4 -1,-0.1 0.627 46.7 90.5 -91.6 -14.8 32.5 38.6 87.3 117 1115 A D - 0 0 57 1,-0.1 25,-0.3 5,-0.1 31,-0.2 -0.479 48.7-169.3 -87.8 156.4 35.2 40.2 85.1 118 1116 A H + 0 0 26 -2,-0.2 29,-0.4 29,-0.1 30,-0.3 0.833 60.0 63.2-102.4 -77.4 38.9 39.6 85.1 119 1117 A S S >> S- 0 0 30 1,-0.1 4,-2.2 28,-0.1 3,-1.3 -0.172 73.7-129.6 -58.6 143.0 41.0 42.1 83.1 120 1118 A V H 3> S+ 0 0 38 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.806 108.7 70.2 -60.7 -27.2 41.1 45.7 84.0 121 1119 A L H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.870 107.6 34.8 -59.2 -36.1 40.3 46.3 80.3 122 1120 A S H X4 S+ 0 0 51 -3,-1.3 3,-1.0 2,-0.2 -2,-0.2 0.843 113.6 58.0 -85.5 -36.7 36.8 44.9 81.0 123 1121 A L H >< S+ 0 0 4 -4,-2.2 3,-0.7 1,-0.3 -2,-0.2 0.822 102.4 55.7 -62.3 -31.6 36.5 46.3 84.5 124 1122 A R T 3< S+ 0 0 119 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.676 90.7 74.3 -74.8 -18.8 37.0 49.8 83.1 125 1123 A R T < S+ 0 0 152 -3,-1.0 -37,-1.1 -4,-0.2 2,-0.3 0.081 82.8 95.7 -82.9 25.6 34.1 49.4 80.7 126 1124 A N B < -G 87 0B 19 -3,-0.7 2,-0.4 -39,-0.2 -39,-0.2 -0.824 60.6-152.2-114.5 154.8 31.7 49.8 83.7 127 1125 A L S S+ 0 0 51 -41,-2.2 -2,-0.0 -2,-0.3 -38,-0.0 -0.988 80.1 10.5-125.0 135.0 29.9 52.8 85.0 128 1126 A G S > S+ 0 0 9 -2,-0.4 4,-1.9 -43,-0.1 5,-0.2 0.563 79.6 129.1 78.1 8.1 28.9 53.2 88.6 129 1127 A L H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.892 72.0 54.9 -63.5 -36.3 31.0 50.2 89.8 130 1128 A E H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 110.4 42.7 -62.5 -48.2 32.6 52.4 92.5 131 1129 A E H > S+ 0 0 53 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.828 113.3 55.1 -68.0 -28.9 29.3 53.5 94.0 132 1130 A T H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.4 0.962 109.8 45.1 -65.3 -51.7 28.0 49.9 93.7 133 1131 A V H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 109.7 56.1 -60.0 -39.1 31.0 48.6 95.7 134 1132 A R H < S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.838 111.2 43.0 -63.7 -33.8 30.6 51.4 98.2 135 1133 A R H < S+ 0 0 43 -4,-1.5 -24,-0.3 -3,-0.4 -1,-0.2 0.715 92.0 110.9 -83.2 -22.3 27.0 50.3 98.9 136 1134 A A < - 0 0 12 -4,-1.6 -24,-0.2 1,-0.2 3,-0.1 -0.202 47.1-170.4 -56.7 139.1 27.9 46.6 99.0 137 1135 A D S S+ 0 0 87 -26,-3.7 2,-0.3 1,-0.4 -25,-0.2 0.630 82.7 26.6 -99.7 -21.8 27.7 44.9 102.3 138 1136 A V E S-e 112 0A 13 -27,-1.8 -25,-3.1 23,-0.1 2,-0.4 -0.995 71.7-166.1-143.4 133.4 29.3 41.8 100.8 139 1137 A I E -ef 113 163A 1 23,-0.7 25,-3.4 -2,-0.3 2,-0.3 -0.979 3.1-173.3-128.0 132.7 31.7 41.6 97.8 140 1138 A F E +ef 114 164A 0 -27,-2.9 -25,-2.8 -2,-0.4 2,-0.3 -0.921 6.2 172.8-120.8 147.5 32.9 38.6 95.8 141 1139 A S E - f 0 165A 3 23,-2.1 25,-1.3 -2,-0.3 -25,-0.1 -0.936 40.6-115.7-144.6 163.8 35.6 38.4 93.1 142 1140 A H S S+ 0 0 18 -27,-0.5 153,-0.6 -25,-0.3 154,-0.5 0.667 95.3 21.5 -77.8 -16.4 37.2 35.5 91.2 143 1141 A S > - 0 0 5 151,-0.1 3,-1.3 21,-0.1 6,-0.4 -0.955 54.5-144.9-158.0 135.1 40.7 36.1 92.6 144 1142 A D T 3 S+ 0 0 65 -2,-0.3 -1,-0.1 1,-0.3 148,-0.1 0.770 111.9 45.0 -64.7 -24.2 42.5 37.8 95.5 145 1143 A N T 3 S+ 0 0 89 146,-0.3 -1,-0.3 145,-0.1 147,-0.1 0.321 91.8 114.7-102.2 5.7 45.2 38.6 93.0 146 1144 A G S <> S- 0 0 6 -3,-1.3 4,-3.0 146,-0.1 5,-0.3 -0.119 81.8-101.6 -72.6 174.0 43.0 39.9 90.2 147 1145 A D H >>S+ 0 0 7 -29,-0.4 4,-2.4 1,-0.2 5,-1.6 0.837 119.4 58.4 -64.7 -35.2 42.8 43.4 88.8 148 1146 A F H 4>S+ 0 0 6 -30,-0.3 5,-2.7 -31,-0.2 6,-0.2 0.958 116.6 33.6 -59.4 -50.8 39.6 44.1 90.7 149 1147 A N H 45S+ 0 0 26 -6,-0.4 5,-0.3 3,-0.2 -2,-0.2 0.938 127.9 36.7 -69.9 -50.2 41.2 43.4 94.0 150 1148 A K H <5S+ 0 0 96 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.680 131.8 20.0 -82.1 -19.7 44.8 44.7 93.3 151 1149 A V T X5S+ 0 0 54 -4,-2.4 4,-1.4 -5,-0.3 -3,-0.2 0.761 127.5 33.3-112.3 -68.2 44.0 47.7 91.1 152 1150 A L H > + 0 0 26 -2,-0.3 4,-1.5 207,-0.2 207,-0.1 -0.647 42.5 175.7 -79.9 87.5 23.9 22.2 89.0 172 1180 A I H > S+ 0 0 0 -2,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.825 72.1 59.6 -64.7 -34.1 26.2 19.7 87.4 173 1181 A V H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.939 104.3 49.8 -60.6 -48.7 23.9 16.8 88.5 174 1182 A K H > S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.900 108.8 51.4 -58.5 -45.3 20.9 18.3 86.6 175 1183 A V H X S+ 0 0 13 -4,-1.5 4,-2.4 2,-0.2 3,-0.4 0.940 112.7 45.7 -59.3 -48.2 22.9 18.7 83.3 176 1184 A R H X S+ 0 0 59 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.947 110.0 53.4 -59.9 -49.6 24.2 15.1 83.4 177 1185 A S H < S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.761 116.7 41.5 -56.8 -25.0 20.7 13.8 84.2 178 1186 A T H < S+ 0 0 84 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.785 132.5 13.6 -95.1 -29.8 19.5 15.7 81.2 179 1187 A Y H < S+ 0 0 39 -4,-2.4 -3,-0.2 127,-0.2 -2,-0.2 0.590 78.8 125.7-125.4 -12.7 22.2 15.0 78.6 180 1188 A W < - 0 0 46 -4,-2.7 2,-0.3 -5,-0.3 128,-0.2 -0.257 43.6-159.8 -55.0 133.5 24.6 12.2 79.6 181 1189 A K - 0 0 33 126,-0.4 2,-0.2 96,-0.3 5,-0.1 -0.830 26.0 -97.1-118.3 156.3 24.8 9.6 76.8 182 1190 A D > - 0 0 102 -2,-0.3 3,-3.4 1,-0.2 4,-0.2 -0.521 40.0-121.4 -67.3 130.5 25.9 6.0 76.5 183 1191 A V G > S+ 0 0 6 1,-0.3 3,-1.9 -2,-0.2 -1,-0.2 0.773 110.4 70.5 -45.8 -30.1 29.5 6.0 75.3 184 1192 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.652 95.5 53.7 -64.1 -14.3 28.3 4.0 72.3 185 1193 A E G < S+ 0 0 110 -3,-3.4 2,-0.5 92,-0.1 -1,-0.3 0.270 87.0 102.0-104.1 10.6 26.5 7.1 71.0 186 1194 A I < - 0 0 4 -3,-1.9 2,-1.0 -4,-0.2 93,-0.2 -0.846 67.6-138.0-101.4 128.0 29.5 9.4 71.1 187 1195 A N E > -i 279 0D 70 91,-2.7 93,-2.2 -2,-0.5 3,-1.9 -0.715 10.7-163.6 -85.9 100.6 31.4 10.2 67.9 188 1196 A M E 3 S+ 0 0 11 -2,-1.0 -1,-0.2 1,-0.3 168,-0.1 0.642 84.8 64.4 -58.2 -16.4 35.1 10.0 68.8 189 1197 A N E 3 S+ 0 0 72 30,-0.1 31,-2.7 91,-0.1 2,-0.5 0.682 82.6 90.0 -82.7 -18.1 35.9 11.9 65.6 190 1198 A I E < - j 0 220D 17 -3,-1.9 91,-1.8 88,-0.2 2,-0.6 -0.710 53.4-173.1 -87.7 122.3 34.1 15.1 66.6 191 1199 A N E -ij 281 221D 1 29,-2.5 31,-2.9 -2,-0.5 2,-0.6 -0.966 10.4-166.9-113.8 113.8 36.2 17.7 68.5 192 1200 A R E -ij 282 222D 14 89,-2.9 91,-2.5 -2,-0.6 2,-0.4 -0.902 6.7-168.1-114.5 114.6 34.0 20.5 69.8 193 1201 A W E -ij 283 223D 0 29,-3.3 31,-3.3 -2,-0.6 2,-0.4 -0.756 5.4-168.2 -95.9 139.3 35.4 23.7 71.1 194 1202 A I E + j 0 224D 2 89,-2.0 91,-0.3 -2,-0.4 2,-0.3 -0.985 34.4 90.3-128.5 139.8 33.1 26.2 72.9 195 1203 A G - 0 0 6 29,-1.9 2,-0.3 -2,-0.4 7,-0.0 -0.916 61.8 -80.7 176.0-146.5 34.0 29.7 73.8 196 1204 A R - 0 0 57 -2,-0.3 2,-1.8 2,-0.3 30,-0.2 -0.908 46.5 -88.8-144.2 169.7 33.9 33.3 72.6 197 1205 A T S S+ 0 0 4 28,-0.5 2,-0.4 -2,-0.3 34,-0.2 -0.415 84.7 109.4 -87.2 64.5 36.0 35.5 70.3 198 1206 A T S > S- 0 0 36 -2,-1.8 3,-2.5 1,-0.1 5,-0.3 -0.995 75.2-119.6-135.7 132.7 38.5 36.8 72.8 199 1207 A T G > S+ 0 0 89 -2,-0.4 3,-1.6 1,-0.3 5,-0.2 0.714 107.0 62.2 -42.9 -37.2 42.1 35.7 72.7 200 1208 A W G 3 S+ 0 0 56 1,-0.3 87,-3.0 2,-0.1 -1,-0.3 0.476 88.4 72.0 -75.3 0.9 42.2 34.1 76.2 201 1209 A K G < S- 0 0 15 -3,-2.5 84,-0.7 85,-0.3 -1,-0.3 0.422 107.2-124.6 -89.2 -1.9 39.6 31.6 75.2 202 1210 A G <> + 0 0 0 -3,-1.6 4,-1.4 -4,-0.2 -2,-0.1 0.806 59.8 147.0 66.3 36.0 42.2 29.9 73.0 203 1211 A F H > S+ 0 0 2 -5,-0.3 4,-2.2 -7,-0.2 5,-0.2 0.877 73.0 56.3 -69.8 -32.8 40.6 29.9 69.6 204 1212 A Y H > S+ 0 0 69 -5,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 106.8 49.3 -62.2 -42.0 44.0 30.4 67.9 205 1213 A Q H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.834 109.1 52.8 -66.8 -34.0 45.4 27.2 69.6 206 1214 A M H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.909 109.7 47.3 -69.1 -42.6 42.3 25.3 68.5 207 1215 A F H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 115.0 47.8 -61.9 -42.8 42.7 26.3 64.9 208 1216 A D H X S+ 0 0 47 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.902 111.0 49.4 -64.1 -45.3 46.4 25.3 65.2 209 1217 A F H X>S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-2.0 0.863 112.4 48.5 -63.7 -37.7 45.7 22.0 66.8 210 1218 A H H <>S+ 0 0 7 -4,-2.1 5,-3.8 3,-0.2 -2,-0.2 0.917 114.0 45.7 -69.4 -42.4 43.2 21.1 64.2 211 1219 A E H <5S+ 0 0 121 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.878 122.1 35.9 -68.2 -39.2 45.5 22.1 61.3 212 1220 A K H <5S+ 0 0 118 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.784 139.0 0.4 -87.6 -29.3 48.6 20.2 62.8 213 1221 A F T X5S+ 0 0 48 -4,-2.3 4,-1.6 -5,-0.3 -3,-0.2 0.721 124.9 46.7-126.5 -52.2 47.0 17.2 64.4 214 1222 A L T 4XS+ 0 0 0 -5,-2.0 5,-2.5 2,-0.2 -4,-0.2 0.956 114.1 44.2 -63.5 -53.9 43.2 16.8 64.1 215 1223 A K T >4 S- 0 0 35 -2,-1.2 3,-2.2 1,-0.1 4,-0.5 -0.150 72.1 -80.2 -73.6 175.5 32.6 40.7 66.8 230 1238 A P T > S+ 0 0 107 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.849 131.1 63.2 -48.8 -37.4 35.5 43.2 66.1 231 1239 A A T >> S+ 0 0 45 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.811 91.5 67.4 -57.5 -28.7 38.0 40.8 67.7 232 1240 A F H <> S+ 0 0 4 -3,-2.2 4,-1.3 1,-0.3 3,-0.5 0.698 79.9 78.8 -65.8 -20.5 37.1 38.4 64.8 233 1241 A I H <> S+ 0 0 95 -3,-2.1 4,-2.0 -4,-0.5 3,-0.4 0.903 87.8 57.7 -54.9 -39.9 38.7 40.8 62.4 234 1242 A A H <> S+ 0 0 24 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.2 0.863 100.2 55.6 -59.5 -39.9 42.1 39.4 63.4 235 1243 A I H X>S+ 0 0 0 -4,-0.5 5,-1.5 -3,-0.5 4,-0.5 0.868 109.9 47.5 -62.1 -34.8 41.1 35.8 62.5 236 1244 A K H <5S+ 0 0 130 -4,-1.3 3,-0.4 -3,-0.4 -2,-0.2 0.859 109.5 52.7 -73.6 -36.8 40.3 37.1 59.0 237 1245 A E H <5S+ 0 0 146 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.791 105.6 53.7 -69.7 -30.0 43.6 39.0 58.7 238 1246 A K H <5S- 0 0 134 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.675 108.8-127.1 -77.9 -17.5 45.7 36.0 59.6 239 1247 A G T <5 + 0 0 56 -4,-0.5 -3,-0.2 -3,-0.4 -2,-0.1 0.785 41.3 176.0 77.1 28.2 43.9 34.1 56.8 240 1248 A I < - 0 0 33 -5,-1.5 -1,-0.2 1,-0.1 2,-0.2 -0.469 30.9-119.1 -68.4 133.0 42.9 31.2 59.0 241 1249 A P + 0 0 74 0, 0.0 20,-0.5 0, 0.0 2,-0.3 -0.488 50.3 139.1 -74.1 143.0 40.7 28.6 57.1 242 1250 A Y - 0 0 57 -2,-0.2 2,-0.5 18,-0.2 20,-0.2 -0.965 47.0-127.9-174.4 162.6 37.2 28.0 58.4 243 1251 A E E -l 262 0D 93 18,-2.0 20,-3.2 -2,-0.3 2,-0.4 -0.990 29.9-149.2-124.0 117.8 33.6 27.5 57.4 244 1252 A Y E -l 263 0D 36 -2,-0.5 2,-0.4 18,-0.2 20,-0.2 -0.743 15.7-178.0 -95.9 136.9 31.1 29.8 59.1 245 1253 A Y E -l 264 0D 20 18,-2.5 20,-1.8 -2,-0.4 5,-0.1 -0.983 18.4-138.2-133.3 142.6 27.5 28.9 60.0 246 1254 A G > - 0 0 19 -2,-0.4 3,-1.2 18,-0.2 21,-0.0 -0.290 40.1 -97.3 -84.7 179.0 24.7 30.9 61.6 247 1255 A N T 3 S+ 0 0 37 1,-0.3 3,-0.5 2,-0.1 21,-0.1 0.685 122.5 57.4 -73.8 -16.0 22.4 29.3 64.2 248 1256 A R T 3 S+ 0 0 245 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.098 107.5 46.7-100.2 22.9 19.8 28.5 61.5 249 1257 A E X + 0 0 81 -3,-1.2 3,-0.9 2,-0.0 -1,-0.2 0.042 68.8 119.9-149.1 26.9 22.2 26.5 59.3 250 1258 A I G > S+ 0 0 24 -3,-0.5 3,-1.9 1,-0.3 -2,-0.1 0.912 73.5 57.7 -61.9 -45.7 23.8 24.2 61.8 251 1259 A D G 3 S+ 0 0 165 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.645 96.7 65.5 -61.8 -13.8 22.6 21.0 60.1 252 1260 A K G < S+ 0 0 154 -3,-0.9 -1,-0.3 2,-0.1 2,-0.3 0.175 76.9 125.8 -93.8 17.7 24.4 22.3 57.0 253 1261 A M < - 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