==== 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 11-NOV-07 3BBY . COMPND 2 MOLECULE: UNCHARACTERIZED GST-LIKE PROTEIN YFCF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 191 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 5.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 1 0 0 0 0 3 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A K 0 0 148 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 111.8 -18.1 14.4 46.0 2 4 A P - 0 0 43 0, 0.0 2,-0.6 0, 0.0 28,-0.1 -0.472 360.0-108.0 -70.9 151.5 -15.5 16.0 48.3 3 5 A A - 0 0 63 -2,-0.1 43,-2.5 28,-0.0 2,-0.5 -0.747 42.2-170.4 -77.5 120.5 -15.4 19.8 48.4 4 6 A I E +A 45 0A 8 -2,-0.6 28,-2.3 26,-0.2 2,-0.4 -0.969 11.2 178.4-120.2 128.8 -12.1 20.8 46.7 5 7 A T E -Ab 44 32A 23 39,-2.8 39,-3.1 -2,-0.5 2,-0.5 -0.991 10.1-163.8-123.7 134.0 -10.6 24.3 46.6 6 8 A L E -Ab 43 33A 0 26,-2.7 28,-2.5 -2,-0.4 2,-0.5 -0.984 14.1-146.6-111.8 127.1 -7.3 25.3 45.0 7 9 A W E +Ab 42 34A 54 35,-2.5 35,-0.8 -2,-0.5 2,-0.3 -0.827 22.7 178.9 -94.3 128.2 -5.9 28.7 46.0 8 10 A S E - b 0 35A 0 26,-2.9 28,-2.1 -2,-0.5 2,-0.1 -0.766 35.8 -92.6-119.4 162.2 -4.0 30.6 43.3 9 11 A D E > - b 0 36A 30 -2,-0.3 3,-1.4 26,-0.2 28,-0.2 -0.446 47.3-107.4 -64.0 154.9 -2.1 34.0 43.1 10 12 A A T 3 S+ 0 0 44 26,-1.3 27,-0.1 1,-0.3 -1,-0.1 0.739 118.3 48.5 -61.9 -27.3 -4.5 36.7 41.8 11 13 A H T 3 S- 0 0 124 179,-0.0 -1,-0.3 0, 0.0 26,-0.1 0.598 102.3-127.5 -87.8 -11.1 -2.8 36.8 38.4 12 14 A F S < S+ 0 0 36 -3,-1.4 178,-0.2 177,-0.0 -2,-0.1 0.885 74.5 122.4 56.7 41.6 -2.9 33.0 37.8 13 15 A F + 0 0 40 177,-0.0 93,-0.1 95,-0.0 94,-0.1 0.623 27.7 115.5-102.8 -16.7 0.9 33.3 37.0 14 16 A S > - 0 0 16 1,-0.2 4,-2.5 2,-0.1 5,-0.1 -0.304 53.1-154.3 -60.9 128.8 2.3 30.8 39.6 15 17 A P H > S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.766 98.0 53.6 -74.5 -19.2 4.0 27.9 37.9 16 18 A Y H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.844 107.1 49.4 -81.3 -34.0 3.3 25.9 41.0 17 19 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.933 110.1 53.2 -66.5 -41.9 -0.4 26.7 40.9 18 20 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.949 108.0 50.7 -53.1 -47.3 -0.3 25.7 37.3 19 21 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.916 113.1 43.6 -61.2 -43.8 1.2 22.3 38.4 20 22 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.876 112.5 53.8 -68.7 -39.7 -1.5 21.7 41.0 21 23 A W H X S+ 0 0 17 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.943 109.5 48.0 -55.8 -51.5 -4.2 22.8 38.5 22 24 A V H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.926 109.5 52.7 -60.1 -44.1 -2.9 20.3 36.0 23 25 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.943 113.6 44.1 -56.5 -48.5 -2.8 17.5 38.6 24 26 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.6 0.933 116.6 45.4 -60.1 -48.0 -6.5 18.3 39.5 25 27 A Q H ><5S+ 0 0 52 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.894 111.1 51.7 -65.5 -38.8 -7.7 18.6 35.9 26 28 A E H 3<5S+ 0 0 37 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.4 51.9 -77.4 -22.9 -5.8 15.5 34.7 27 29 A K H 3<5S- 0 0 5 -4,-1.5 43,-0.4 -5,-0.3 -1,-0.3 0.640 112.3-126.1 -74.5 -17.3 -7.5 13.5 37.5 28 30 A G T <<5 + 0 0 65 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.773 52.1 163.0 73.6 30.9 -10.8 14.9 36.3 29 31 A L < - 0 0 22 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.568 39.7-124.1 -86.8 145.6 -11.6 16.2 39.7 30 32 A S + 0 0 103 -2,-0.2 2,-0.3 -28,-0.1 -26,-0.2 -0.726 47.7 146.7 -86.1 129.3 -14.3 18.8 40.4 31 33 A F - 0 0 34 -2,-0.5 2,-0.4 -28,-0.1 -26,-0.2 -0.972 43.1-121.8-156.8 163.1 -12.9 21.9 42.2 32 34 A H E -b 5 0A 138 -28,-2.3 -26,-2.7 -2,-0.3 2,-0.4 -0.916 21.2-145.6-107.2 141.2 -13.2 25.7 42.7 33 35 A I E -b 6 0A 47 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.916 20.2-178.2-104.9 136.4 -10.2 27.9 42.2 34 36 A K E -b 7 0A 111 -28,-2.5 -26,-2.9 -2,-0.4 2,-0.3 -0.929 15.0-133.2-131.1 154.0 -9.9 31.0 44.5 35 37 A T E -b 8 0A 66 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.809 7.4-156.4-114.2 152.9 -7.4 33.8 44.6 36 38 A I E b 9 0A 88 -28,-2.1 -26,-1.3 -2,-0.3 4,-0.0 -0.970 360.0 360.0-117.5 141.9 -5.3 35.5 47.1 37 39 A D 0 0 136 -2,-0.4 -28,-0.0 -28,-0.2 -2,-0.0 -0.394 360.0 360.0 -67.4 360.0 -4.0 39.1 46.4 38 ! 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 39 58 A R 0 0 150 0, 0.0 -32,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -4.9 1.7 30.3 50.4 40 59 A V + 0 0 42 1,-0.1 -23,-0.1 11,-0.1 -32,-0.1 -0.952 360.0 43.8-122.4 145.9 0.2 29.3 47.0 41 60 A P + 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.530 69.1 171.9 -72.1 153.1 -0.9 26.8 45.8 42 61 A L E -AC 7 51A 33 -35,-0.8 -35,-2.5 9,-0.2 2,-0.5 -1.000 17.5-153.8-125.6 127.0 -2.9 25.6 48.7 43 62 A L E -AC 6 50A 1 7,-3.1 7,-2.1 -2,-0.4 2,-0.5 -0.876 8.7-170.8 -96.6 131.4 -5.2 22.6 48.3 44 63 A Q E +AC 5 49A 52 -39,-3.1 -39,-2.8 -2,-0.5 2,-0.4 -0.994 8.3 174.1-119.9 126.6 -8.3 22.1 50.5 45 64 A I E > -AC 4 48A 1 3,-2.5 3,-2.4 -2,-0.5 -41,-0.2 -0.950 67.4 -55.9-130.3 109.6 -10.2 18.9 50.3 46 65 A D T 3 S- 0 0 90 -43,-2.5 -41,-0.1 -2,-0.4 -1,-0.0 -0.397 122.5 -17.8 50.8-117.7 -12.9 18.7 52.9 47 66 A D T 3 S+ 0 0 161 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.252 118.9 94.9-102.5 13.5 -11.1 19.3 56.3 48 67 A F E < -C 45 0A 83 -3,-2.4 -3,-2.5 2,-0.0 2,-0.3 -0.848 53.6-166.1-105.6 138.3 -7.6 18.5 55.0 49 68 A E E +C 44 0A 114 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.960 7.5 178.7-122.7 147.5 -5.2 21.2 53.7 50 69 A L E -C 43 0A 35 -7,-2.1 -7,-3.1 -2,-0.3 2,-0.2 -0.991 6.3-170.3-154.2 135.6 -2.0 20.6 51.8 51 70 A S E +C 42 0A 50 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.710 48.1 69.6-121.4 172.9 0.8 22.8 50.3 52 71 A E S > S- 0 0 146 -11,-0.7 4,-2.3 -2,-0.2 5,-0.2 0.740 71.5-122.8 77.4 113.5 3.7 22.3 47.9 53 72 A S H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.779 108.3 47.1 -62.6 -35.4 2.7 21.6 44.3 54 73 A S H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 112.1 51.6 -73.2 -37.9 4.5 18.2 43.9 55 74 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 108.8 52.9 -61.5 -36.8 3.1 17.0 47.3 56 75 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.938 110.3 45.6 -63.4 -47.5 -0.3 18.0 46.1 57 76 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.924 112.8 51.4 -61.4 -44.2 0.0 15.9 42.9 58 77 A E H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.884 109.5 49.6 -59.5 -42.7 1.4 13.0 44.8 59 78 A Y H X S+ 0 0 57 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.899 109.8 51.2 -61.9 -44.1 -1.5 13.1 47.3 60 79 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.907 111.4 47.9 -63.6 -40.2 -4.0 13.2 44.4 61 80 A E H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.9 44.3 -67.8 -37.9 -2.4 10.2 42.8 62 81 A D H < S+ 0 0 119 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.913 122.3 36.1 -68.5 -47.8 -2.3 8.3 46.1 63 82 A R H < S+ 0 0 97 -4,-3.2 2,-1.0 1,-0.3 -3,-0.2 0.900 123.4 40.1 -76.7 -44.1 -5.9 9.2 47.1 64 83 A F S < S- 0 0 14 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.672 97.9-166.4-103.1 70.2 -7.6 9.1 43.7 65 84 A A >> - 0 0 41 -2,-1.0 4,-1.5 -3,-0.4 3,-0.8 -0.322 13.9 -85.2 -72.5 140.1 -5.6 6.1 42.7 66 85 A P T 34 S+ 0 0 26 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.426 103.6 36.8 -61.5 153.7 -5.2 4.6 39.2 67 86 A P T 34 S+ 0 0 130 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.999 121.4 48.8 -85.4 -2.5 -6.8 2.7 37.5 68 87 A T T <4 S+ 0 0 113 -3,-0.8 2,-0.3 2,-0.1 -3,-0.1 0.919 123.5 30.7 -60.9 -48.1 -10.1 4.2 38.8 69 88 A W S < S- 0 0 99 -4,-1.5 -41,-0.1 -8,-0.1 -42,-0.1 -0.800 108.1 -84.3-107.2 155.7 -8.9 7.7 38.2 70 89 A E - 0 0 143 -43,-0.4 2,-0.3 -2,-0.3 -1,-0.1 -0.257 47.3-112.2 -60.2 148.7 -6.5 8.7 35.5 71 90 A R + 0 0 78 1,-0.1 -1,-0.1 -4,-0.1 4,-0.1 -0.617 32.9 174.3 -89.9 134.2 -2.8 8.4 36.1 72 91 A I + 0 0 0 -2,-0.3 75,-3.0 -15,-0.1 76,-0.3 0.466 69.7 57.1-116.7 -9.5 -0.5 11.4 36.5 73 92 A Y S S- 0 0 3 73,-0.2 7,-0.1 74,-0.1 -1,-0.1 -0.933 97.5 -95.8-114.5 145.8 2.7 9.6 37.5 74 93 A P - 0 0 16 0, 0.0 -2,-0.1 0, 0.0 6,-0.1 -0.256 21.7-139.4 -58.3 145.3 4.4 6.8 35.4 75 94 A L S S+ 0 0 118 4,-0.1 2,-0.1 -4,-0.1 5,-0.0 0.913 82.5 83.6 -71.2 -43.4 3.5 3.2 36.3 76 95 A D S > S- 0 0 74 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.369 80.6-136.1 -64.1 136.6 7.1 2.0 35.9 77 96 A L H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.842 101.9 47.9 -72.7 -29.7 9.1 2.6 39.0 78 97 A E H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 113.9 46.7 -75.3 -39.7 12.2 3.9 37.3 79 98 A N H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.897 112.5 52.1 -63.7 -39.8 10.2 6.3 35.1 80 99 A R H X S+ 0 0 56 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.907 108.7 50.1 -61.6 -41.9 8.3 7.3 38.2 81 100 A A H X S+ 0 0 53 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.906 110.3 49.1 -65.0 -42.2 11.6 8.0 40.0 82 101 A R H X S+ 0 0 109 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.879 107.7 55.2 -66.5 -37.7 12.8 10.1 37.1 83 102 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.921 111.7 44.0 -56.2 -45.5 9.5 12.1 37.0 84 103 A R H X S+ 0 0 103 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.860 111.0 54.7 -69.4 -37.0 10.1 12.9 40.7 85 104 A Q H X S+ 0 0 90 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.938 109.7 47.3 -60.5 -45.4 13.7 13.7 40.0 86 105 A I H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.937 112.3 48.3 -62.3 -48.3 12.6 16.2 37.4 87 106 A Q H X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.925 115.4 45.2 -56.6 -44.6 10.0 17.8 39.6 88 107 A A H X S+ 0 0 58 -4,-2.6 4,-0.8 1,-0.2 3,-0.2 0.898 112.2 50.9 -68.6 -41.4 12.5 18.1 42.5 89 108 A W H >X S+ 0 0 45 -4,-2.8 4,-1.8 1,-0.2 3,-1.1 0.934 107.8 51.8 -62.7 -46.9 15.3 19.4 40.3 90 109 A L H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.778 112.8 46.6 -62.5 -27.1 13.2 22.2 38.6 91 110 A R H 3< S+ 0 0 52 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.553 121.1 36.1 -90.0 -12.2 12.1 23.4 42.1 92 111 A S H << S+ 0 0 99 -3,-1.1 2,-0.2 -4,-0.8 -2,-0.2 0.445 117.6 39.9-118.2 -12.8 15.7 23.4 43.6 93 112 A D S < S+ 0 0 49 -4,-1.8 5,-0.1 -5,-0.1 29,-0.0 -0.654 84.1 53.8-130.5-176.8 17.9 24.4 40.7 94 113 A L >> + 0 0 0 -2,-0.2 4,-2.0 1,-0.1 3,-0.5 0.780 55.4 159.1 59.2 33.8 18.0 26.9 37.7 95 114 A X H 3> + 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.858 67.5 58.7 -57.8 -39.9 17.3 29.9 40.0 96 115 A P H 3> S+ 0 0 32 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.911 106.8 46.6 -57.3 -41.4 18.7 32.3 37.5 97 116 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.929 114.0 49.6 -63.5 -45.5 16.2 31.3 34.8 98 117 A R H < S+ 0 0 37 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.2 0.891 118.2 38.3 -61.0 -40.0 13.4 31.5 37.4 99 118 A E H < S+ 0 0 139 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.862 123.0 39.9 -78.0 -38.5 14.6 35.0 38.5 100 119 A E H < S+ 0 0 40 -4,-3.1 13,-0.2 1,-0.3 -3,-0.2 0.735 125.7 36.4 -87.0 -22.7 15.5 36.4 35.0 101 120 A R S < S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.615 81.1-179.6-127.4 68.8 12.5 34.8 33.2 102 121 A P > - 0 0 38 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.214 45.1 -96.5 -68.1 165.3 9.6 34.9 35.7 103 122 A T T 3> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.573 114.3 79.8 -76.3 -5.3 6.2 33.5 34.6 104 123 A D H 3> S+ 0 0 40 1,-0.2 6,-2.1 2,-0.2 4,-1.6 0.778 90.9 59.1 -60.7 -21.9 4.8 36.8 33.5 105 124 A V H <4 S+ 0 0 1 -3,-2.4 4,-0.4 4,-0.2 -1,-0.2 0.847 111.5 40.2 -68.7 -33.6 6.9 36.1 30.4 106 125 A V H 4 S+ 0 0 15 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.1 0.908 128.2 26.8 -80.1 -47.2 4.9 32.9 30.0 107 126 A F H < S+ 0 0 21 -4,-2.9 -3,-0.2 1,-0.1 -2,-0.2 0.601 133.5 27.0 -99.8 -12.5 1.4 34.0 30.8 108 127 A A S < S- 0 0 62 -4,-1.6 -3,-0.2 -5,-0.3 -1,-0.1 0.247 97.2-115.0-137.5 13.6 1.5 37.8 29.9 109 128 A G + 0 0 47 -4,-0.4 -4,-0.2 -6,-0.2 -3,-0.1 0.741 52.2 173.4 58.7 27.0 4.1 38.2 27.2 110 129 A A - 0 0 25 -6,-2.1 2,-0.4 -8,-0.1 -1,-0.2 -0.366 23.5-139.6 -67.5 142.4 6.3 40.3 29.5 111 130 A K + 0 0 137 -2,-0.0 2,-0.2 -10,-0.0 -1,-0.1 -0.894 23.8 177.1-108.6 138.8 9.7 41.3 28.2 112 131 A K - 0 0 86 -2,-0.4 3,-0.1 1,-0.2 -11,-0.1 -0.437 34.5 -65.8-123.1-165.8 12.7 41.3 30.5 113 132 A A - 0 0 66 -13,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.371 59.6 -81.9 -88.8 159.8 16.5 41.9 30.1 114 133 A P - 0 0 117 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.268 64.5 -86.6 -53.0 151.2 19.1 40.0 28.2 115 134 A L - 0 0 26 -3,-0.1 -18,-0.0 4,-0.1 2,-0.0 -0.317 41.5-127.3 -61.6 144.0 20.3 36.9 30.2 116 135 A T > - 0 0 68 -3,-0.1 4,-2.3 -20,-0.1 5,-0.2 -0.209 33.9 -96.9 -75.3 177.0 23.2 37.5 32.6 117 136 A A H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.911 131.5 49.2 -61.4 -42.5 26.3 35.3 32.4 118 137 A E H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.0 52.2 -61.3 -42.5 24.7 33.2 35.2 119 138 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.883 108.9 48.4 -61.6 -42.0 21.4 33.1 33.3 120 139 A K H X S+ 0 0 107 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.866 111.5 49.7 -66.3 -39.7 23.0 31.8 30.1 121 140 A A H X S+ 0 0 64 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.894 112.0 48.9 -67.0 -40.0 24.9 29.1 32.0 122 141 A S H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 109.8 51.3 -65.0 -44.3 21.7 28.1 33.7 123 142 A A H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 109.4 50.8 -58.5 -42.2 19.9 28.0 30.3 124 143 A E H X S+ 0 0 122 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.841 108.8 51.6 -66.9 -33.3 22.7 25.8 28.8 125 144 A K H X S+ 0 0 92 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.937 110.2 49.0 -66.4 -45.6 22.4 23.4 31.8 126 145 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.934 112.2 48.6 -55.3 -48.6 18.6 23.2 31.2 127 146 A F H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.911 111.3 48.9 -63.2 -44.0 19.1 22.5 27.5 128 147 A A H X S+ 0 0 58 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.933 115.5 43.6 -61.9 -46.9 21.8 19.8 28.2 129 148 A X H X S+ 0 0 69 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.929 115.5 47.5 -63.5 -47.9 19.6 18.0 30.7 130 149 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.919 109.8 52.0 -63.7 -43.7 16.4 18.2 28.7 131 150 A E H < S+ 0 0 89 -4,-2.6 -1,-0.2 -5,-0.3 6,-0.2 0.888 111.9 48.3 -60.9 -37.4 18.0 17.0 25.5 132 151 A H H >< S+ 0 0 126 -4,-1.7 3,-1.5 -5,-0.2 -2,-0.2 0.947 111.5 48.5 -64.2 -50.9 19.3 14.1 27.4 133 152 A L H 3< S+ 0 0 23 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.864 120.9 37.4 -55.9 -37.7 15.9 13.4 29.0 134 153 A L T >< S+ 0 0 10 -4,-2.5 3,-2.6 1,-0.2 -1,-0.3 -0.027 75.8 130.1-106.9 30.3 14.2 13.6 25.5 135 154 A V T < S+ 0 0 93 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.778 70.0 58.1 -63.2 -25.8 17.0 11.9 23.5 136 155 A L T 3 S- 0 0 149 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.570 110.0-122.8 -76.0 -8.1 14.5 9.6 21.8 137 156 A G < + 0 0 40 -3,-2.6 -2,-0.1 1,-0.2 -3,-0.1 0.713 54.0 163.3 71.4 20.9 12.6 12.6 20.5 138 157 A Q - 0 0 38 3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.455 45.3-131.0 -71.6 139.1 9.5 11.3 22.2 139 158 A P S S+ 0 0 77 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.831 96.3 38.1 -58.9 -37.8 6.7 13.9 22.7 140 159 A N S > S- 0 0 22 3,-0.3 3,-2.1 1,-0.1 5,-0.1 -0.968 91.3-118.1-113.9 141.8 6.3 13.0 26.3 141 160 A L T 3 S+ 0 0 6 -2,-0.4 -3,-0.1 1,-0.3 -5,-0.1 0.809 110.5 21.7 -39.5 -53.2 9.2 12.1 28.6 142 161 A F T 3 S- 0 0 42 2,-0.6 2,-1.3 -3,-0.0 -1,-0.3 -0.102 117.0 -95.9-115.9 34.4 8.2 8.6 29.4 143 162 A G S < S+ 0 0 49 -3,-2.1 -3,-0.3 3,-0.0 2,-0.3 -0.646 110.2 56.3 90.2 -83.2 5.9 7.8 26.4 144 163 A E S S- 0 0 161 -2,-1.3 -2,-0.6 1,-0.1 0, 0.0 -0.630 102.8 -95.7 -76.5 145.2 2.6 8.6 28.1 145 164 A W + 0 0 23 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.219 46.1 177.6 -57.4 144.8 2.2 12.1 29.5 146 165 A C >> - 0 0 2 -3,-0.1 3,-1.9 -72,-0.0 4,-0.8 -0.945 46.3 -94.2-143.4 170.1 2.9 12.7 33.2 147 166 A I H 3> S+ 0 0 0 -75,-3.0 4,-1.7 -2,-0.3 3,-0.4 0.810 118.5 65.2 -56.1 -31.2 2.9 15.7 35.5 148 167 A A H 3> S+ 0 0 0 -76,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.810 93.6 61.7 -64.3 -25.2 6.7 16.2 35.1 149 168 A D H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.910 104.6 47.8 -64.1 -43.0 6.2 17.0 31.3 150 169 A T H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.4 -2,-0.2 0.937 112.6 46.6 -65.7 -45.4 4.2 20.0 32.3 151 170 A D H X S+ 0 0 13 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.904 114.4 48.0 -63.1 -42.8 6.6 21.3 34.8 152 171 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.907 111.1 50.5 -66.3 -41.5 9.6 20.8 32.4 153 172 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.882 106.9 54.7 -63.8 -38.8 7.8 22.5 29.6 154 173 A L H X S+ 0 0 8 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.965 109.2 48.0 -57.6 -50.3 6.9 25.5 31.8 155 174 A X H >< S+ 0 0 6 -4,-1.9 3,-0.6 1,-0.2 4,-0.5 0.912 114.3 45.5 -58.7 -46.2 10.7 25.9 32.6 156 175 A I H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-1.6 0.897 108.4 58.6 -63.9 -38.6 11.7 25.7 28.9 157 176 A N H 3X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.3 5,-0.3 0.694 87.3 72.8 -69.7 -19.6 8.8 28.1 28.0 158 177 A R H << S+ 0 0 11 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.815 113.9 29.4 -55.1 -33.6 10.2 30.8 30.3 159 178 A L H <>>S+ 0 0 1 -3,-1.6 5,-1.9 -4,-0.5 4,-1.1 0.863 120.8 50.6 -91.4 -51.1 12.9 31.0 27.5 160 179 A V H ><5S+ 0 0 28 -4,-2.6 3,-0.9 1,-0.2 -3,-0.2 0.943 114.0 44.2 -56.6 -49.6 10.9 29.9 24.4 161 180 A L T 3<5S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.708 109.7 56.7 -75.5 -16.5 8.0 32.3 25.0 162 181 A H T 345S- 0 0 25 -3,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.720 117.4-111.5 -77.5 -21.3 10.4 35.2 25.8 163 182 A G T <<5 + 0 0 66 -4,-1.1 -3,-0.2 -3,-0.9 -2,-0.1 0.465 65.2 149.0 98.5 5.1 12.1 34.8 22.4 164 183 A D < - 0 0 36 -5,-1.9 2,-0.4 -6,-0.1 -1,-0.3 -0.316 59.9 -92.0 -69.4 155.2 15.5 33.5 23.7 165 184 A E + 0 0 171 -2,-0.0 -1,-0.1 3,-0.0 -5,-0.1 -0.574 54.4 171.4 -74.6 128.9 17.3 31.1 21.5 166 185 A V - 0 0 6 -2,-0.4 5,-0.1 -6,-0.1 -10,-0.0 -0.996 42.2 -92.4-140.1 135.8 16.4 27.5 22.4 167 186 A P >> - 0 0 37 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.194 39.3-120.1 -51.9 139.0 17.3 24.2 20.6 168 187 A E H 3> S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.802 109.6 55.5 -54.4 -38.7 14.6 23.4 18.1 169 188 A R H 3> S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 109.8 47.1 -68.0 -32.3 13.7 20.0 19.6 170 189 A L H <> S+ 0 0 2 -3,-0.8 4,-3.0 2,-0.2 5,-0.3 0.847 109.8 53.1 -75.6 -35.9 13.1 21.6 23.0 171 190 A V H X S+ 0 0 41 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.943 111.6 46.6 -57.8 -47.5 10.9 24.3 21.3 172 191 A D H X S+ 0 0 93 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.917 114.4 47.0 -61.6 -50.4 8.9 21.6 19.7 173 192 A Y H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.949 115.5 44.0 -51.1 -56.2 8.6 19.6 23.0 174 193 A A H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.877 114.1 50.3 -67.3 -34.6 7.6 22.7 25.1 175 194 A T H X S+ 0 0 68 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.927 111.1 48.5 -70.6 -42.6 5.2 24.0 22.5 176 195 A F H >< S+ 0 0 110 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.931 111.0 50.7 -61.3 -44.6 3.5 20.6 22.2 177 196 A Q H >< S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.839 103.4 59.9 -61.4 -31.6 3.2 20.4 26.0 178 197 A W H 3< S+ 0 0 19 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.707 95.1 63.6 -72.9 -16.9 1.7 23.8 26.1 179 198 A Q T << S+ 0 0 130 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.539 72.8 125.8 -81.9 -7.0 -1.2 22.6 23.9 180 199 A R <> - 0 0 73 -3,-1.3 4,-2.6 -4,-0.3 3,-0.4 -0.297 68.1-129.2 -51.8 130.2 -2.3 20.2 26.6 181 200 A A H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 106.4 53.0 -54.7 -43.2 -5.9 20.9 27.4 182 201 A S H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.902 111.7 46.2 -60.6 -38.9 -5.4 21.2 31.1 183 202 A V H > S+ 0 0 0 -3,-0.4 4,-2.9 2,-0.2 3,-0.2 0.924 110.0 53.0 -71.1 -43.8 -2.7 23.8 30.5 184 203 A Q H X S+ 0 0 71 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.893 106.2 54.9 -58.3 -36.8 -4.8 25.7 28.0 185 204 A R H X S+ 0 0 145 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.853 109.9 45.9 -66.6 -35.0 -7.6 25.9 30.6 186 205 A F H >X S+ 0 0 0 -4,-1.4 3,-1.2 -3,-0.2 4,-0.6 0.914 109.6 54.2 -70.5 -44.9 -5.2 27.5 33.1 187 206 A I H >X S+ 0 0 36 -4,-2.9 3,-1.3 1,-0.3 4,-1.3 0.899 100.2 62.2 -54.4 -41.1 -3.9 29.9 30.5 188 207 A A H 3X S+ 0 0 58 -4,-2.2 4,-1.4 1,-0.3 -1,-0.3 0.781 90.8 68.0 -57.5 -29.0 -7.5 31.0 29.8 189 208 A L H << S+ 0 0 47 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.862 112.5 29.3 -60.3 -36.8 -7.8 32.3 33.4 190 209 A S H << S+ 0 0 33 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.528 103.3 75.7-102.2 -12.7 -5.3 35.1 32.7 191 210 A A H < 0 0 86 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.894 360.0 360.0 -65.2 -37.7 -6.0 35.6 29.0 192 211 A K < 0 0 99 -4,-1.4 -1,-0.3 0, 0.0 -2,-0.1 -0.791 360.0 360.0-162.6 360.0 -9.1 37.3 30.3