==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-SEP-12 4GXZ . COMPND 2 MOLECULE: SUPPRESSION OF COPPER SENSITIVITY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.SHEPHERD,B.HERAS,G.J.KING,M.P.ARGENTE,M.E.S.ACHARD,N.P.KIN . 698 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 7.2 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 . 4 0.6 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 . 41 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 0 1 0 1 1 1 1 3 0 6 2 0 7 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A D 0 0 166 0, 0.0 2,-1.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-107.7 2.6 52.6 23.6 2 10 A Q > + 0 0 106 1,-0.2 3,-2.0 2,-0.1 4,-0.2 -0.501 360.0 149.6 -94.2 67.7 5.2 54.0 26.0 3 11 A E G >> + 0 0 98 -2,-1.2 3,-1.7 1,-0.3 4,-1.3 0.668 67.8 84.9 -53.4 -18.7 5.0 51.5 28.8 4 12 A K G 34 S+ 0 0 133 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.745 82.7 52.2 -58.9 -27.0 8.5 52.8 28.7 5 13 A Q G <4 S+ 0 0 108 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.532 121.8 30.5 -87.6 -8.0 7.5 55.8 30.8 6 14 A I T X> S+ 0 0 19 -3,-1.7 3,-1.1 -4,-0.2 4,-0.7 0.335 85.7 104.5-128.4 0.9 5.9 53.6 33.5 7 15 A E T 3< S+ 0 0 97 -4,-1.3 3,-0.3 1,-0.3 4,-0.2 0.762 81.8 51.9 -65.0 -26.3 7.9 50.4 33.4 8 16 A N T 34 S+ 0 0 40 1,-0.2 3,-0.4 -4,-0.2 4,-0.3 0.688 103.6 59.7 -83.2 -18.4 9.8 51.2 36.6 9 17 A L T <> S+ 0 0 0 -3,-1.1 4,-1.2 1,-0.2 3,-0.4 0.669 81.5 88.0 -73.5 -20.6 6.5 51.8 38.4 10 18 A I H X S+ 0 0 32 -4,-0.7 4,-2.0 -3,-0.3 -1,-0.2 0.817 79.6 59.6 -54.1 -34.8 5.3 48.2 37.7 11 19 A H H > S+ 0 0 79 -3,-0.4 4,-2.5 -4,-0.2 5,-0.3 0.919 102.8 45.0 -66.9 -52.5 6.9 46.7 40.8 12 20 A A H > S+ 0 0 6 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.864 114.9 50.3 -59.1 -39.1 5.2 48.6 43.7 13 21 A A H X S+ 0 0 2 -4,-1.2 4,-0.7 3,-0.2 -1,-0.2 0.885 112.1 48.6 -69.6 -37.9 1.8 48.2 42.0 14 22 A L H < S+ 0 0 10 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.966 128.4 18.1 -63.0 -51.3 2.4 44.5 41.6 15 23 A F H < S+ 0 0 36 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.576 132.6 35.2-103.7 -12.9 3.5 43.7 45.1 16 24 A N H < + 0 0 26 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.1 0.218 64.0 141.2-136.4 11.1 2.4 46.6 47.3 17 25 A D >< - 0 0 20 -4,-0.7 3,-1.8 1,-0.2 -4,-0.1 -0.475 42.5-150.5 -57.7 113.0 -0.9 47.9 46.0 18 26 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.796 96.7 56.8 -56.2 -25.5 -2.8 48.7 49.3 19 27 A A T 3 S+ 0 0 11 2,-0.1 67,-0.2 -3,-0.0 66,-0.1 0.614 87.6 88.5 -85.3 -11.2 -5.9 48.0 47.4 20 28 A S S < S- 0 0 3 -3,-1.8 45,-0.1 -7,-0.1 62,-0.0 -0.773 87.3-112.1 -92.8 125.5 -4.9 44.4 46.3 21 29 A P - 0 0 0 0, 0.0 43,-2.7 0, 0.0 2,-0.4 -0.223 32.2-156.5 -56.5 140.8 -5.9 41.7 48.8 22 30 A R E -A 63 0A 33 41,-0.2 2,-0.5 -4,-0.1 41,-0.2 -0.977 9.6-160.1-122.7 131.8 -2.9 40.1 50.6 23 31 A I E +A 62 0A 11 39,-2.9 39,-2.8 -2,-0.4 2,-0.2 -0.974 66.3 6.7-107.9 122.0 -2.9 36.6 52.2 24 32 A G S S- 0 0 42 -2,-0.5 37,-0.2 37,-0.2 35,-0.1 -0.581 107.3 -1.1 105.2-169.4 -0.0 36.3 54.7 25 33 A A - 0 0 42 33,-0.5 -2,-0.1 35,-0.4 29,-0.0 -0.153 47.0-140.5 -61.9 145.7 2.6 38.7 56.1 26 34 A K S S+ 0 0 149 1,-0.2 -1,-0.1 -4,-0.1 35,-0.1 0.753 104.9 42.9 -69.5 -26.5 2.8 42.4 55.2 27 35 A H S S+ 0 0 174 33,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.587 84.1 159.9-122.0 71.3 6.6 42.0 55.3 28 36 A P - 0 0 30 0, 0.0 32,-0.2 0, 0.0 31,-0.1 -0.438 48.0-129.9 -91.4 163.9 7.4 38.6 53.5 29 37 A K S S+ 0 0 109 30,-2.0 2,-0.4 1,-0.2 31,-0.2 0.802 99.1 23.4 -76.4 -31.3 10.6 37.3 52.0 30 38 A L E -b 60 0A 16 29,-1.7 31,-2.1 148,-0.1 2,-0.5 -0.997 68.1-160.2-139.7 137.6 8.7 36.4 48.8 31 39 A T E -b 61 0A 24 -2,-0.4 123,-0.3 29,-0.2 2,-0.3 -0.965 7.7-157.2-125.7 113.4 5.4 37.8 47.4 32 40 A L E -b 62 0A 0 29,-2.6 31,-3.1 -2,-0.5 2,-0.5 -0.626 7.0-149.8 -81.7 145.5 3.4 35.7 44.9 33 41 A V E -bC 63 152A 0 119,-1.5 119,-2.5 -2,-0.3 2,-0.7 -0.936 11.6-165.2-121.2 109.0 1.0 37.6 42.6 34 42 A N E -bC 64 151A 1 29,-3.1 31,-2.6 -2,-0.5 2,-0.5 -0.841 6.9-160.4-103.1 107.7 -2.0 35.5 41.6 35 43 A F E +bC 65 150A 0 115,-3.3 115,-1.9 -2,-0.7 2,-0.3 -0.797 35.6 156.4 -84.0 124.0 -4.1 36.8 38.7 36 44 A T E -b 66 0A 1 29,-1.6 31,-2.8 -2,-0.5 2,-0.4 -0.916 40.7-143.2-153.1 166.1 -7.4 35.0 39.1 37 45 A D > - 0 0 2 -2,-0.3 3,-1.7 29,-0.2 7,-0.2 -0.996 20.2-137.5-143.6 127.7 -11.1 34.9 38.4 38 46 A Y T 3 S+ 0 0 2 -2,-0.4 -1,-0.1 1,-0.3 36,-0.1 0.689 106.8 47.0 -61.2 -19.7 -13.7 33.5 40.9 39 47 A N T 3 S+ 0 0 7 66,-0.1 -1,-0.3 32,-0.1 35,-0.1 0.411 86.2 107.3 -98.6 -0.9 -15.6 31.7 38.0 40 48 A C <> - 0 0 9 -3,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.704 61.2-150.4 -86.6 119.0 -12.4 30.2 36.5 41 49 A P H > S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.876 96.9 47.0 -57.5 -45.9 -12.2 26.4 37.2 42 50 A Y H > S+ 0 0 146 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.824 109.8 55.3 -67.1 -31.1 -8.4 26.2 37.2 43 51 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 107.0 49.8 -62.8 -45.2 -8.3 29.3 39.5 44 52 A K H < S+ 0 0 13 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.893 111.1 50.0 -59.9 -37.8 -10.5 27.5 41.9 45 53 A Q H X S+ 0 0 104 -4,-1.7 4,-0.6 -5,-0.2 -2,-0.2 0.949 113.7 44.5 -66.9 -47.7 -8.2 24.4 41.8 46 54 A L H >X S+ 0 0 5 -4,-2.5 4,-1.3 1,-0.2 3,-1.1 0.885 97.9 76.5 -60.9 -41.1 -5.1 26.5 42.4 47 55 A D H 3X S+ 0 0 9 -4,-2.5 4,-1.6 1,-0.3 3,-0.4 0.816 90.3 49.0 -48.2 -52.5 -6.6 28.6 45.2 48 56 A P H 3> S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.872 109.4 57.0 -57.8 -33.8 -6.5 26.2 48.2 49 57 A M H < + 0 0 29 -4,-3.0 3,-2.5 -5,-0.2 -1,-0.3 -0.723 62.4 179.2-125.1 79.4 5.8 29.1 54.5 58 66 A P T 3 S+ 0 0 48 0, 0.0 -33,-0.5 0, 0.0 -1,-0.1 0.633 79.3 72.4 -53.9 -17.8 4.8 32.1 56.6 59 67 A D T 3 S+ 0 0 38 -31,-0.1 -30,-2.0 -35,-0.1 -29,-1.7 0.435 90.3 76.7 -73.9 -3.3 7.7 34.0 54.9 60 68 A V E < - b 0 30A 0 -3,-2.5 -35,-0.4 -6,-0.2 2,-0.3 -0.922 60.3-173.9-115.1 135.2 5.5 34.0 51.8 61 69 A A E - b 0 31A 0 -31,-2.1 -29,-2.6 -2,-0.4 2,-0.4 -0.904 13.9-143.0-119.7 155.7 2.5 36.2 51.1 62 70 A V E -Ab 23 32A 0 -39,-2.8 -39,-2.9 -2,-0.3 2,-0.4 -0.977 5.1-151.2-121.8 132.4 0.1 36.0 48.2 63 71 A I E -Ab 22 33A 5 -31,-3.1 -29,-3.1 -2,-0.4 2,-0.6 -0.851 11.7-143.7 -99.8 133.1 -1.4 39.0 46.4 64 72 A I E + b 0 34A 0 -43,-2.7 -29,-0.2 -2,-0.4 -31,-0.0 -0.882 18.5 179.6 -99.0 118.4 -4.8 38.5 44.7 65 73 A K E - b 0 35A 0 -31,-2.6 -29,-1.6 -2,-0.6 2,-0.1 -0.847 19.7-148.5-114.8 90.9 -5.3 40.4 41.5 66 74 A P E - b 0 36A 1 0, 0.0 -29,-0.2 0, 0.0 70,-0.1 -0.400 16.8-175.6 -61.5 131.2 -8.8 39.7 40.2 67 75 A L - 0 0 0 -31,-2.8 2,-2.1 -2,-0.1 3,-0.2 -0.854 13.3-160.0-118.1 91.3 -9.2 39.7 36.4 68 76 A P + 0 0 18 0, 0.0 3,-0.3 0, 0.0 7,-0.2 -0.447 34.4 146.3 -78.8 77.8 -12.9 39.1 36.0 69 77 A F + 0 0 120 -2,-2.1 2,-0.9 1,-0.2 3,-0.1 0.674 50.3 77.2 -84.6 -21.3 -13.0 37.8 32.4 70 78 A K S S- 0 0 93 -3,-0.2 4,-0.3 1,-0.2 3,-0.2 -0.296 103.1 -83.1 -98.2 52.0 -16.0 35.4 32.7 71 79 A G >> - 0 0 37 -2,-0.9 4,-1.9 -3,-0.3 3,-1.0 -0.145 67.9 -37.6 92.0-177.1 -18.9 37.8 32.6 72 80 A E H 3> S+ 0 0 177 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.838 130.2 53.0 -55.6 -42.8 -21.0 40.0 35.0 73 81 A S H 3> S+ 0 0 8 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.759 106.5 54.7 -70.3 -24.3 -20.8 37.7 38.0 74 82 A S H <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.3 -36,-0.2 0.898 110.4 46.5 -67.2 -44.8 -17.0 37.6 37.6 75 83 A V H X S+ 0 0 46 -4,-1.9 4,-2.6 -7,-0.2 -2,-0.2 0.955 114.8 47.2 -61.6 -46.9 -17.0 41.4 37.8 76 84 A L H X S+ 0 0 46 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.907 111.4 48.1 -63.2 -47.0 -19.4 41.3 40.8 77 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.928 114.6 48.7 -59.0 -43.7 -17.6 38.7 42.9 78 86 A A H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.921 112.6 46.1 -61.5 -45.9 -14.3 40.6 42.2 79 87 A R H X S+ 0 0 48 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.933 114.2 48.1 -66.0 -45.0 -15.8 44.0 43.2 80 88 A I H X S+ 0 0 14 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.942 114.2 46.7 -58.2 -49.3 -17.4 42.6 46.3 81 89 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.937 114.5 46.7 -61.2 -45.3 -14.1 40.8 47.3 82 90 A L H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.890 112.9 49.2 -64.5 -40.2 -12.0 43.9 46.6 83 91 A T H X S+ 0 0 9 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.889 109.1 51.7 -67.7 -40.2 -14.4 46.2 48.5 84 92 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 7,-0.3 0.886 109.0 52.7 -61.2 -37.5 -14.4 43.8 51.5 85 93 A W H < S+ 0 0 38 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.966 111.4 46.1 -60.6 -51.0 -10.6 44.0 51.3 86 94 A R H < S+ 0 0 104 -4,-2.4 -2,-0.2 -67,-0.2 -1,-0.2 0.927 125.6 27.7 -54.1 -51.3 -10.7 47.8 51.4 87 95 A E H < S+ 0 0 115 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.820 138.5 16.0 -91.1 -34.0 -13.2 48.1 54.3 88 96 A H >X + 0 0 64 -4,-2.5 3,-2.5 -5,-0.3 4,-0.7 -0.533 63.7 173.6-140.0 71.5 -12.8 45.0 56.3 89 97 A P H >> S+ 0 0 67 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.772 77.6 62.8 -55.7 -31.2 -9.5 43.3 55.4 90 98 A Q H 34 S+ 0 0 108 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.723 103.4 49.5 -65.2 -21.1 -9.8 40.7 58.2 91 99 A Q H <> S+ 0 0 32 -3,-2.5 4,-1.7 -7,-0.3 -1,-0.2 0.634 88.7 87.2 -90.7 -16.6 -13.0 39.3 56.5 92 100 A F H S+ 0 0 37 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.874 116.5 44.9 -55.5 -40.6 -13.1 33.8 54.5 95 103 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.923 111.7 51.8 -69.7 -47.2 -15.1 35.5 51.7 96 104 A H H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.917 109.9 50.0 -53.2 -47.6 -12.5 34.8 49.1 97 105 A E H X S+ 0 0 53 -4,-3.0 4,-2.9 -5,-0.2 -1,-0.2 0.926 109.6 51.1 -58.0 -46.4 -12.5 31.1 50.1 98 106 A K H X S+ 0 0 65 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.914 109.9 49.3 -59.4 -43.9 -16.3 31.0 49.8 99 107 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.895 116.3 42.2 -63.7 -40.9 -16.3 32.5 46.3 100 108 A M H < S+ 0 0 5 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 110.5 56.3 -70.8 -39.7 -13.6 30.1 45.1 101 109 A Q H < S+ 0 0 111 -4,-2.9 2,-0.2 -5,-0.2 -2,-0.2 0.794 80.3 101.3 -68.3 -28.0 -15.1 27.0 46.8 102 110 A K < - 0 0 61 -4,-1.5 4,-0.1 -5,-0.2 -58,-0.0 -0.398 60.7-158.0 -60.0 120.9 -18.5 27.4 45.1 103 111 A R + 0 0 166 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 -0.020 65.5 79.8 -99.7 32.8 -18.6 24.9 42.3 104 112 A V S S- 0 0 90 3,-0.0 3,-0.1 6,-0.0 -2,-0.0 -0.987 95.4 -95.4-130.6 140.4 -21.2 26.6 40.2 105 113 A Y - 0 0 118 -2,-0.4 5,-0.1 1,-0.1 -66,-0.1 -0.316 62.3 -96.9 -49.2 136.1 -20.8 29.6 37.9 106 114 A H + 0 0 3 -4,-0.1 2,-0.2 4,-0.1 -33,-0.2 -0.255 42.8 179.5 -75.1 148.9 -21.7 32.5 40.1 107 115 A T > - 0 0 76 -3,-0.1 4,-2.3 -34,-0.1 5,-0.2 -0.793 48.4 -96.6-125.7 173.5 -25.0 34.4 40.3 108 116 A D H > S+ 0 0 108 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.956 126.4 50.5 -54.6 -49.3 -26.1 37.4 42.5 109 117 A D H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 109.8 46.5 -54.7 -49.3 -27.6 34.9 44.9 110 118 A S H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.877 111.7 52.7 -67.4 -34.8 -24.5 32.6 45.2 111 119 A I H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.932 111.3 46.4 -62.8 -43.2 -22.3 35.7 45.7 112 120 A K H X S+ 0 0 97 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.846 111.1 53.2 -67.1 -34.7 -24.6 36.8 48.5 113 121 A Q H X S+ 0 0 66 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.909 105.4 53.3 -60.9 -49.6 -24.5 33.3 49.9 114 122 A A H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 6,-0.2 0.919 109.3 49.7 -52.1 -47.2 -20.7 33.3 50.0 115 123 A Q H X>S+ 0 0 30 -4,-1.9 5,-2.5 2,-0.2 4,-1.0 0.925 112.3 47.8 -57.3 -48.2 -20.9 36.6 52.0 116 124 A Q H ><5S+ 0 0 140 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.949 115.1 43.3 -58.5 -53.7 -23.3 35.0 54.4 117 125 A K H 3<5S+ 0 0 123 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 114.6 51.0 -62.3 -34.0 -21.3 31.8 54.9 118 126 A A H 3<5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.665 108.5-126.5 -78.0 -14.0 -18.1 33.8 55.1 119 127 A G T <<5 + 0 0 19 -4,-1.0 2,-0.3 -3,-0.7 494,-0.2 0.806 51.6 163.7 72.1 30.7 -19.6 36.1 57.8 120 128 A A < - 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0 0 18 -4,-0.4 3,-1.8 1,-0.2 -4,-0.0 -0.770 45.5-158.7 -88.0 114.0 7.5 51.0 48.2 194 26 B P T 3 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -167,-0.0 0.762 91.9 60.9 -63.6 -23.2 9.1 49.1 51.0 195 27 B A T 3 S+ 0 0 6 2,-0.1 67,-0.1 -3,-0.1 66,-0.1 0.613 84.7 91.7 -80.2 -13.4 12.6 50.0 49.6 196 28 B S S < S- 0 0 3 -3,-1.8 45,-0.1 65,-0.1 62,-0.0 -0.734 83.6-119.7 -84.1 124.8 11.9 53.7 50.1 197 29 B P - 0 0 0 0, 0.0 43,-2.8 0, 0.0 2,-0.4 -0.281 28.8-165.5 -62.0 145.1 13.1 55.0 53.5 198 30 B R E -E 239 0B 84 41,-0.2 2,-0.4 2,-0.1 41,-0.2 -0.998 6.1-164.8-131.4 141.3 10.5 56.5 55.9 199 31 B I E +E 238 0B 21 39,-2.5 39,-2.5 -2,-0.4 2,-0.3 -0.930 55.9 11.9-118.0 145.4 11.1 58.6 59.0 200 32 B G E S+E 237 0B 47 -2,-0.4 37,-0.3 37,-0.2 35,-0.1 -0.673 99.4 35.2 97.6-146.3 8.4 59.3 61.6 201 33 B A - 0 0 18 35,-1.8 34,-0.1 -2,-0.3 37,-0.0 -0.087 53.0-149.3 -57.0 140.5 5.0 57.7 62.2 202 34 B K S S+ 0 0 98 1,-0.3 -1,-0.1 35,-0.0 33,-0.1 0.852 101.3 18.1 -76.9 -36.4 4.4 54.0 61.5 203 35 B H S S- 0 0 88 376,-0.1 -1,-0.3 33,-0.0 -2,-0.1 -0.682 95.7-172.4-131.4 76.0 0.8 54.6 60.5 204 36 B P - 0 0 28 0, 0.0 32,-0.2 0, 0.0 3,-0.1 -0.348 33.0-142.4 -80.7 153.5 0.7 58.4 59.9 205 37 B K S S+ 0 0 86 30,-1.8 2,-0.4 1,-0.3 31,-0.2 0.748 97.1 27.1 -72.6 -31.1 -2.3 60.6 59.2 206 38 B L E S-f 236 0B 13 29,-1.8 31,-2.1 2,-0.0 2,-0.5 -0.995 70.1-164.7-139.9 129.0 -0.1 62.5 56.7 207 39 B T E -f 237 0B 30 -2,-0.4 123,-0.4 29,-0.2 31,-0.2 -0.935 8.5-154.9-121.2 110.1 2.8 61.3 54.7 208 40 B L E -f 238 0B 0 29,-2.8 31,-3.1 -2,-0.5 2,-0.5 -0.530 5.5-148.5 -76.2 147.4 5.2 63.7 53.0 209 41 B V E -fG 239 328B 0 119,-1.8 119,-3.1 29,-0.2 2,-0.7 -0.968 15.1-168.1-116.0 113.0 7.2 62.5 49.9 210 42 B N E -fG 240 327B 2 29,-3.0 31,-2.5 -2,-0.5 2,-0.6 -0.875 9.6-159.2-108.1 108.9 10.6 64.3 49.7 211 43 B F E +fG 241 326B 0 115,-3.1 115,-1.6 -2,-0.7 2,-0.3 -0.785 34.0 161.0 -85.1 124.7 12.6 64.0 46.5 212 44 B T E -f 242 0B 0 29,-1.7 31,-3.6 -2,-0.6 2,-0.4 -0.892 37.6-149.0-150.1 162.0 16.1 64.8 47.5 213 45 B D > - 0 0 3 -2,-0.3 3,-2.4 29,-0.2 6,-0.2 -0.983 19.6-139.4-141.9 124.0 19.9 64.6 46.6 214 46 B Y T 3 S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.3 64,-0.1 0.707 105.2 52.1 -62.3 -18.5 22.6 64.3 49.3 215 47 B N T 3 S+ 0 0 2 66,-0.1 -1,-0.3 32,-0.1 35,-0.1 0.278 85.6 106.5 -96.1 12.2 24.8 66.7 47.2 216 48 B C <> - 0 0 8 -3,-2.4 4,-2.1 1,-0.2 3,-0.2 -0.812 59.1-153.3-101.1 117.3 22.1 69.4 46.9 217 49 B P H > S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.879 97.0 47.4 -56.1 -43.3 22.6 72.5 49.0 218 50 B Y H > S+ 0 0 148 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 107.9 57.0 -71.0 -31.4 18.9 73.4 49.3 219 51 B C H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.944 104.6 52.7 -55.9 -45.7 18.1 69.8 50.2 220 52 B K H < S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 109.7 48.5 -60.9 -36.0 20.5 70.1 53.1 221 53 B Q H X S+ 0 0 103 -4,-1.5 4,-0.5 -5,-0.2 -1,-0.2 0.927 114.0 45.9 -69.5 -44.0 18.7 73.2 54.3 222 54 B L H >X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 3,-1.3 0.888 97.7 73.2 -66.0 -38.5 15.3 71.5 54.0 223 55 B D H 3X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.3 5,-0.2 0.864 94.9 48.0 -47.7 -52.6 16.2 68.2 55.7 224 56 B P H 3> S+ 0 0 76 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.758 109.4 55.4 -65.3 -23.3 16.4 69.5 59.3 225 57 B M H < - 0 0 34 -4,-3.0 3,-2.5 -5,-0.2 -32,-0.3 -0.806 61.5-176.4-118.9 89.8 3.8 66.2 64.6 234 66 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.635 82.9 67.0 -59.6 -14.0 3.8 62.5 65.6 235 67 B D T 3 S+ 0 0 53 -31,-0.1 -30,-1.8 -34,-0.1 -29,-1.8 0.401 89.8 83.8 -84.7 -1.9 1.1 61.9 63.0 236 68 B V E < - f 0 206B 0 -3,-2.5 -35,-1.8 -6,-0.3 2,-0.3 -0.851 52.9-177.2-109.9 140.6 3.4 62.8 60.2 237 69 B A E -Ef 200 207B 0 -31,-2.1 -29,-2.8 -2,-0.4 2,-0.4 -0.925 14.3-145.8-125.1 156.8 5.9 60.6 58.3 238 70 B V E -Ef 199 208B 3 -39,-2.5 -39,-2.5 -2,-0.3 2,-0.4 -0.992 5.6-153.1-122.9 128.3 8.3 61.5 55.6 239 71 B I E -Ef 198 209B 5 -31,-3.1 -29,-3.0 -2,-0.4 2,-0.5 -0.852 14.5-140.8 -96.7 134.6 9.3 59.2 52.7 240 72 B I E - f 0 210B 2 -43,-2.8 -29,-0.2 -2,-0.4 -31,-0.0 -0.853 19.0-179.3-100.5 124.1 12.7 59.8 51.1 241 73 B K E - f 0 211B 0 -31,-2.5 -29,-1.7 -2,-0.5 2,-0.1 -0.875 20.7-147.5-118.3 93.9 13.1 59.4 47.4 242 74 B P E - f 0 212B 2 0, 0.0 -29,-0.2 0, 0.0 71,-0.1 -0.433 12.9-170.7 -63.9 132.8 16.7 60.0 46.5 243 75 B L - 0 0 0 -31,-3.6 2,-1.4 -2,-0.1 3,-0.2 -0.875 10.0-158.6-121.2 93.8 17.2 61.7 43.1 244 76 B P + 0 0 15 0, 0.0 3,-0.2 0, 0.0 7,-0.2 -0.555 34.2 146.6 -81.1 89.3 21.0 61.6 42.4 245 77 B F + 0 0 88 -2,-1.4 2,-0.8 1,-0.2 3,-0.1 0.624 50.7 75.6 -98.2 -17.8 21.5 64.3 39.9 246 78 B K S > S- 0 0 101 1,-0.2 4,-0.5 -3,-0.2 3,-0.3 -0.415 104.2 -80.4-103.9 57.7 25.0 65.6 40.8 247 79 B G H >> S- 0 0 45 -2,-0.8 4,-1.5 -3,-0.2 3,-0.9 -0.054 71.9 -41.9 81.5-178.3 27.4 62.9 39.5 248 80 B E H 3> S+ 0 0 155 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.755 129.7 59.5 -63.9 -28.9 28.5 59.5 40.7 249 81 B S H 3> S+ 0 0 25 -3,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.856 103.4 53.3 -68.7 -33.8 28.9 60.6 44.4 250 82 B S H X + 0 0 59 -4,-2.7 3,-3.1 -5,-0.3 4,-0.7 -0.554 64.9 173.6-135.0 70.2 19.8 47.9 58.8 265 97 B P H >> S+ 0 0 58 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.827 79.1 60.8 -48.3 -41.0 16.7 50.1 59.0 266 98 B Q H 34 S+ 0 0 168 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.701 104.2 50.9 -63.7 -18.1 17.6 51.2 62.5 267 99 B Q H <> S+ 0 0 42 -3,-3.1 4,-2.0 -7,-0.3 -1,-0.3 0.649 86.8 87.5 -91.5 -14.9 20.8 52.7 61.1 268 100 B F H S+ 0 0 36 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.924 117.0 45.3 -62.3 -43.0 21.8 58.5 61.6 271 103 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.959 111.3 50.7 -63.2 -54.7 23.4 57.7 58.2 272 104 B H H X S+ 0 0 2 -4,-3.6 4,-2.6 1,-0.2 5,-0.2 0.924 110.8 50.8 -48.4 -50.7 21.0 59.9 56.3 273 105 B E H X S+ 0 0 59 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.927 110.0 49.2 -53.7 -51.0 21.7 62.8 58.7 274 106 B K H X S+ 0 0 56 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.870 111.3 49.3 -59.6 -37.9 25.5 62.4 58.3 275 107 B L H < S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.913 115.9 43.2 -69.6 -40.7 25.2 62.4 54.5 276 108 B M H < S+ 0 0 5 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.887 108.1 59.1 -66.4 -41.1 23.1 65.5 54.5 277 109 B Q H < S+ 0 0 111 -4,-2.9 2,-0.3 -5,-0.2 -1,-0.2 0.680 76.2 106.6 -69.5 -19.4 25.2 67.3 57.1 278 110 B K < - 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