==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/INHIBITOR 05-FEB-13 4J30 . COMPND 2 MOLECULE: PUTATIVE CYTOPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.BENZ,J.REINSTEIN,A.MEINHART . 255 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 11.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 2 1 2 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 1 0 1 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 . 1 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 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 2 A N 0 0 174 0, 0.0 90,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.7 38.3 41.1 -14.1 2 3 A R - 0 0 49 1,-0.0 3,-0.1 0, 0.0 152,-0.0 -0.938 360.0 -94.8-131.7 150.5 36.0 39.9 -11.3 3 4 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 52,-0.1 -0.320 51.1-104.7 -55.1 142.1 33.9 36.8 -10.5 4 5 A S > - 0 0 32 50,-0.3 4,-1.9 150,-0.2 5,-0.1 -0.437 25.6-124.4 -65.5 148.0 30.3 37.3 -11.6 5 6 A F H > S+ 0 0 15 150,-3.0 4,-2.9 2,-0.2 5,-0.3 0.928 107.5 52.1 -58.0 -48.7 28.0 38.0 -8.6 6 7 A N H > S+ 0 0 124 149,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.896 112.2 45.0 -60.4 -43.0 25.6 35.1 -9.4 7 8 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.852 114.0 50.3 -68.3 -36.1 28.4 32.5 -9.6 8 9 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.921 111.0 47.5 -65.7 -47.9 30.1 33.9 -6.5 9 10 A W H X S+ 0 0 41 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.868 113.9 48.5 -61.8 -39.4 26.8 33.8 -4.4 10 11 A L H X S+ 0 0 102 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.923 111.7 48.6 -67.6 -47.1 26.1 30.2 -5.7 11 12 A A H >X S+ 0 0 4 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.927 107.6 55.3 -59.1 -47.6 29.6 29.0 -4.8 12 13 A F H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 4,-0.2 0.865 101.0 59.5 -54.0 -40.1 29.5 30.6 -1.3 13 14 A R H >< S+ 0 0 139 -4,-1.4 3,-1.0 1,-0.3 -1,-0.2 0.813 94.3 63.7 -60.7 -33.9 26.3 28.6 -0.5 14 15 A K H << S+ 0 0 113 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.794 115.5 31.2 -60.8 -28.7 28.1 25.3 -1.1 15 16 A V T << S+ 0 0 0 -3,-1.2 2,-2.0 -4,-0.7 -1,-0.3 0.197 82.3 115.6-117.8 14.2 30.4 26.1 1.8 16 17 A N < + 0 0 28 -3,-1.0 2,-0.2 -4,-0.2 -1,-0.1 -0.345 60.5 97.4 -79.1 57.0 28.0 28.1 4.0 17 18 A H S S- 0 0 80 -2,-2.0 25,-0.1 1,-0.2 5,-0.0 -0.694 86.2 -55.6-133.2-179.6 28.1 25.5 6.7 18 19 A S > - 0 0 57 -2,-0.2 4,-2.5 1,-0.1 -1,-0.2 -0.243 56.5-109.5 -56.2 153.1 29.9 24.7 10.0 19 20 A V H > S+ 0 0 26 1,-0.2 4,-1.9 21,-0.2 -1,-0.1 0.845 120.7 56.2 -57.5 -35.2 33.7 24.7 9.7 20 21 A A H > S+ 0 0 56 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.935 108.8 46.0 -59.4 -48.4 33.6 20.9 10.1 21 22 A D H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 108.0 56.9 -63.3 -39.6 31.2 20.5 7.1 22 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.889 105.7 52.1 -55.3 -41.8 33.4 22.9 5.1 23 24 A G H X S+ 0 0 4 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.852 110.0 47.5 -63.5 -38.2 36.3 20.5 5.7 24 25 A S H < S+ 0 0 101 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.847 113.4 48.9 -69.6 -40.1 34.3 17.5 4.5 25 26 A I H < S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.936 121.5 32.3 -65.5 -46.7 33.2 19.5 1.4 26 27 A I H < S+ 0 0 8 -4,-2.5 44,-2.3 -5,-0.2 45,-0.5 0.881 88.3 176.5 -86.3 -39.9 36.7 20.7 0.4 27 28 A G >X + 0 0 18 -4,-2.3 4,-1.9 -5,-0.3 3,-0.9 -0.185 36.2 77.4 71.1-161.7 38.8 17.8 1.6 28 29 A G H 3> S- 0 0 26 41,-0.3 4,-2.3 1,-0.2 41,-0.2 -0.190 116.8 -20.9 54.9-146.8 42.6 17.5 1.1 29 30 A N H 3> S+ 0 0 67 39,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.749 139.9 59.2 -65.9 -27.1 44.8 19.6 3.4 30 31 A V H <> S+ 0 0 0 38,-1.4 4,-2.2 -3,-0.9 -1,-0.2 0.970 110.6 42.5 -60.3 -53.7 41.8 21.9 4.2 31 32 A G H X S+ 0 0 8 -4,-1.9 4,-2.9 -8,-0.2 -2,-0.2 0.885 113.0 52.3 -59.8 -44.5 39.9 18.9 5.5 32 33 A K H X S+ 0 0 134 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.901 111.8 46.3 -59.4 -43.8 42.9 17.5 7.4 33 34 A N H <>S+ 0 0 40 -4,-2.1 5,-2.4 2,-0.2 6,-0.9 0.859 113.9 47.2 -70.5 -36.6 43.5 20.8 9.2 34 35 A I H ><5S+ 0 0 10 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.919 111.7 51.0 -68.1 -44.3 39.8 21.3 10.1 35 36 A T H 3<5S+ 0 0 127 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.907 110.9 49.3 -55.7 -42.4 39.6 17.6 11.3 36 37 A G T 3<5S- 0 0 49 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.572 116.1-120.8 -73.7 -9.8 42.7 18.3 13.4 37 38 A G T < 5S+ 0 0 37 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.589 78.1 124.4 81.3 12.2 41.0 21.5 14.7 38 39 A Y S + 0 0 4 -2,-0.8 4,-3.1 1,-0.2 3,-0.3 0.601 56.7 97.8 -79.4 -13.3 35.8 29.2 7.9 43 44 A C H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 88.4 36.1 -43.8 -57.1 35.4 32.8 6.7 44 45 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 32,-0.4 0.796 115.9 56.4 -75.3 -22.0 38.6 33.0 4.6 45 46 A I H > S+ 0 0 1 -4,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.916 107.4 48.1 -70.0 -41.9 38.3 29.4 3.5 46 47 A R H X S+ 0 0 17 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.911 111.3 50.5 -63.9 -42.3 34.8 30.1 2.1 47 48 A X H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.905 110.0 50.5 -61.8 -41.6 36.0 33.2 0.3 48 49 A S H X S+ 0 0 0 -4,-2.0 4,-2.9 28,-0.3 10,-0.2 0.910 107.2 54.1 -60.7 -44.5 38.9 31.1 -1.2 49 50 A Y H X S+ 0 0 50 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.909 107.6 51.6 -54.7 -44.6 36.3 28.5 -2.3 50 51 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 6,-0.2 0.910 112.2 43.8 -59.0 -48.6 34.4 31.3 -4.1 51 52 A L H <>S+ 0 0 4 -4,-1.9 5,-2.2 1,-0.2 4,-0.4 0.927 115.8 48.4 -66.1 -45.9 37.4 32.6 -6.0 52 53 A N H ><5S+ 0 0 7 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.897 114.5 45.9 -57.7 -42.3 38.6 29.0 -6.9 53 54 A A H 3<5S+ 0 0 53 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.767 109.3 53.2 -75.6 -27.8 35.1 28.0 -8.1 54 55 A T T 3<5S- 0 0 13 -4,-1.7 -50,-0.3 -5,-0.2 -1,-0.2 0.340 121.6 -92.3 -96.8 6.5 34.3 31.1 -10.2 55 56 A G T < 5S+ 0 0 56 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.566 103.6 98.8 94.9 11.5 37.5 31.1 -12.4 56 57 A F < - 0 0 56 -5,-2.2 -3,-0.1 -6,-0.2 -4,-0.1 -0.489 58.0-175.5-123.0 60.3 39.6 33.4 -10.3 57 58 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.207 33.2-105.8 -67.6 147.2 41.7 30.9 -8.4 58 59 A I - 0 0 4 16,-0.4 16,-0.5 -10,-0.2 2,-0.1 -0.572 43.8-118.8 -66.9 122.0 44.2 31.8 -5.7 59 60 A A > - 0 0 47 -2,-0.4 3,-1.3 1,-0.1 -1,-0.1 -0.382 10.7-128.0 -67.0 142.8 47.6 31.5 -7.2 60 61 A R T 3 S+ 0 0 169 1,-0.2 -1,-0.1 -2,-0.1 6,-0.1 0.892 109.3 46.8 -55.1 -46.2 50.0 29.0 -5.6 61 62 A N T 3 S+ 0 0 124 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.327 79.6 133.2 -86.2 7.8 52.8 31.5 -5.3 62 63 A S S < S- 0 0 13 -3,-1.3 2,-2.4 1,-0.1 4,-0.0 -0.362 70.6-114.4 -52.3 133.1 50.5 34.2 -3.9 63 64 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.151 84.4 95.1 -78.0 50.6 52.3 35.6 -0.8 64 65 A Y S S- 0 0 22 -2,-2.4 2,-0.1 20,-0.0 -2,-0.1 -0.992 84.3 -98.8-137.6 142.2 49.8 34.4 1.7 65 66 A A + 0 0 31 -2,-0.3 12,-1.0 11,-0.0 13,-0.4 -0.384 57.1 158.9 -57.7 129.5 49.6 31.2 3.9 66 67 A K E -A 76 0A 51 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.985 30.6-149.4-153.1 156.1 47.4 28.6 2.2 67 68 A V E -A 75 0A 24 8,-2.1 8,-2.9 -2,-0.3 2,-0.2 -0.951 26.0-114.0-127.0 153.2 46.5 24.9 2.0 68 69 A S E -A 74 0A 28 -2,-0.3 -38,-1.4 6,-0.2 -39,-0.8 -0.505 21.3-145.2 -82.1 150.4 45.3 22.8 -0.9 69 70 A G > - 0 0 2 4,-2.1 3,-2.1 -40,-0.2 -41,-0.3 -0.452 42.7 -87.7 -95.3-179.3 41.9 21.1 -1.1 70 71 A A T 3 S+ 0 0 69 -44,-2.3 -43,-0.1 1,-0.3 -42,-0.1 0.753 129.3 65.0 -59.4 -24.0 41.1 17.7 -2.7 71 72 A D T 3 S- 0 0 64 -45,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.493 114.0-120.0 -72.8 -6.2 40.6 19.8 -5.9 72 73 A N S < S+ 0 0 130 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.589 75.4 124.9 68.0 13.9 44.4 20.7 -5.8 73 74 A K - 0 0 88 1,-0.0 -4,-2.1 -14,-0.0 2,-0.3 -0.536 62.9-102.8 -96.2 169.5 43.4 24.4 -5.5 74 75 A F E -A 68 0A 57 -16,-0.5 2,-0.5 -6,-0.2 -16,-0.4 -0.761 24.5-163.4-113.0 139.1 44.5 26.7 -2.7 75 76 A Y E -A 67 0A 2 -8,-2.9 -8,-2.1 -2,-0.3 2,-0.2 -0.962 13.0-144.3-127.3 113.2 42.7 28.0 0.3 76 77 A I E -A 66 0A 0 -2,-0.5 -28,-0.3 -32,-0.4 -10,-0.2 -0.555 13.2-170.1 -73.7 138.3 43.8 31.0 2.4 77 78 A Y + 0 0 66 -12,-1.0 2,-0.4 -2,-0.2 -32,-0.2 0.472 57.0 78.6-118.6 -2.3 43.1 30.5 6.0 78 79 A R > - 0 0 134 -13,-0.4 4,-2.2 -34,-0.1 5,-0.1 -0.920 66.4-144.7-106.3 134.7 43.7 33.8 7.7 79 80 A V H > S+ 0 0 10 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.905 102.2 51.6 -59.3 -45.8 41.2 36.7 7.5 80 81 A N H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 111.1 48.6 -61.4 -38.1 43.9 39.4 7.3 81 82 A D H > S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 110.5 50.5 -67.0 -42.8 45.6 37.5 4.5 82 83 A X H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 111.8 48.1 -62.7 -44.9 42.3 37.1 2.6 83 84 A I H X S+ 0 0 18 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.941 114.3 45.2 -58.3 -52.2 41.6 40.8 3.0 84 85 A D H X S+ 0 0 65 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.874 108.6 57.3 -62.1 -39.9 45.1 41.7 1.8 85 86 A Y H X S+ 0 0 19 -4,-2.8 4,-0.8 2,-0.2 3,-0.2 0.917 108.9 46.5 -55.0 -45.1 44.8 39.2 -1.1 86 87 A L H >X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 3,-0.9 0.912 106.9 56.2 -67.4 -44.3 41.7 41.0 -2.4 87 88 A T H 3< S+ 0 0 74 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.812 113.7 43.1 -51.7 -33.9 43.3 44.5 -2.0 88 89 A H H 3< S+ 0 0 130 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.567 125.9 28.0 -94.9 -9.9 46.0 43.2 -4.3 89 90 A T H << S+ 0 0 71 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.652 110.0 61.7-120.5 -26.7 44.0 41.3 -7.0 90 91 A X S < S- 0 0 12 -4,-3.0 2,-0.1 1,-0.3 -3,-0.1 0.541 91.0-137.2 -86.1 -11.5 40.5 43.0 -7.1 91 92 A G - 0 0 31 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 -0.460 59.0 -5.1 85.4-161.2 41.6 46.5 -8.2 92 93 A K S S- 0 0 168 -2,-0.1 -5,-0.0 1,-0.1 0, 0.0 -0.518 78.7-118.4 -70.4 128.0 40.2 49.7 -6.8 93 94 A P - 0 0 45 0, 0.0 59,-0.2 0, 0.0 3,-0.1 -0.278 13.1-141.7 -60.7 153.3 37.4 49.1 -4.3 94 95 A D S S+ 0 0 73 57,-2.8 2,-0.4 1,-0.3 58,-0.2 0.799 82.9 24.8 -90.9 -32.7 34.0 50.6 -5.3 95 96 A L E +B 151 0B 41 56,-1.6 56,-2.9 2,-0.0 2,-0.4 -0.995 57.7 179.9-134.8 128.1 32.9 51.8 -1.9 96 97 A I E -B 150 0B 117 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -1.000 14.4-174.0-122.6 124.1 35.0 52.6 1.2 97 98 A V E -B 149 0B 26 52,-3.2 52,-2.9 -2,-0.4 2,-0.3 -0.969 17.4-143.6-127.6 118.4 32.9 53.7 4.2 98 99 A N E S+B 148 0B 116 -2,-0.5 50,-0.2 1,-0.2 49,-0.1 -0.587 89.5 2.0 -74.1 138.7 34.3 55.0 7.5 99 100 A N S S- 0 0 110 48,-3.4 -1,-0.2 -2,-0.3 48,-0.2 0.948 100.4-160.0 48.3 59.4 32.2 53.9 10.6 100 101 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.248 22.3-167.4 -77.4 157.3 30.0 51.8 8.3 101 102 A K > - 0 0 133 48,-0.0 3,-2.0 1,-0.0 4,-0.3 -0.928 39.0-106.1-130.4 161.2 26.5 50.5 8.8 102 103 A Q G > S+ 0 0 97 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.815 116.2 65.0 -55.6 -32.5 24.7 47.9 6.6 103 104 A S G > S+ 0 0 65 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.686 88.9 67.6 -66.4 -19.3 22.5 50.6 5.2 104 105 A D G < S+ 0 0 55 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.668 102.0 48.4 -70.0 -15.9 25.5 52.3 3.5 105 106 A F G X S+ 0 0 5 -3,-1.7 3,-1.4 -4,-0.3 -1,-0.2 0.421 79.3 128.2-109.0 -0.9 25.8 49.2 1.2 106 107 A I T < S+ 0 0 117 -3,-0.6 26,-0.2 -4,-0.3 3,-0.1 -0.270 70.6 25.4 -58.9 136.3 22.2 48.9 0.1 107 108 A G T 3 S+ 0 0 72 24,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.405 107.4 86.0 92.4 -1.4 21.7 48.7 -3.7 108 109 A K < - 0 0 92 -3,-1.4 2,-0.3 23,-0.1 23,-0.3 -0.976 56.1-162.4-135.9 147.2 25.1 47.3 -4.4 109 110 A K + 0 0 82 -2,-0.3 45,-2.0 21,-0.2 2,-0.3 -0.964 36.3 73.6-136.3 144.6 26.4 43.8 -4.5 110 111 A G E S-CD 129 153B 0 19,-2.3 19,-2.2 -2,-0.3 2,-0.6 -0.973 80.8 -11.2 159.8-140.8 29.8 42.0 -4.4 111 112 A I E -CD 128 152B 0 41,-2.7 41,-2.2 -2,-0.3 2,-0.4 -0.848 58.5-160.8-100.1 119.9 32.6 41.3 -1.9 112 113 A I E -CD 127 151B 11 15,-2.2 15,-2.1 -2,-0.6 2,-0.4 -0.827 9.4-171.8-105.7 135.5 32.4 43.1 1.4 113 114 A V E -CD 126 150B 4 37,-3.0 37,-3.1 -2,-0.4 2,-0.4 -0.994 3.8-174.7-119.1 129.1 35.2 43.6 3.9 114 115 A V E -CD 125 149B 31 11,-2.3 11,-2.3 -2,-0.4 2,-0.4 -0.996 1.9-170.8-118.4 129.0 34.6 45.1 7.3 115 116 A K E +CD 124 148B 78 33,-2.6 32,-3.3 -2,-0.4 33,-2.3 -0.966 27.1 123.2-114.8 138.9 37.4 45.9 9.7 116 117 A G E - D 0 146B 1 7,-2.6 2,-0.3 -2,-0.4 3,-0.1 -0.904 50.2 -89.0-165.4-168.4 36.7 46.9 13.3 117 118 A H E S+ D 0 145B 84 28,-1.9 28,-3.4 -2,-0.3 3,-0.1 -0.802 80.2 69.1-118.8 163.5 37.3 46.2 17.0 118 119 A G S S+ 0 0 34 1,-0.4 108,-0.5 -2,-0.3 2,-0.4 0.129 71.6 105.0 115.3 -18.1 35.5 44.0 19.5 119 120 A W - 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0 0 60 -4,-1.7 6,-0.0 -5,-0.2 0, 0.0 -0.599 58.0-160.5 -82.7 140.1 35.4 26.0 32.7 184 54 B K + 0 0 190 -2,-0.3 -1,-0.1 4,-0.0 -4,-0.0 0.843 58.7 101.5 -87.5 -36.2 31.9 24.7 33.7 185 55 B D > - 0 0 91 1,-0.1 4,-2.8 4,-0.1 5,-0.2 -0.274 67.1-141.4 -57.7 128.4 32.5 20.9 33.3 186 56 B D H > S+ 0 0 112 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.875 99.0 52.1 -58.8 -45.7 33.1 19.2 36.7 187 57 B V H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 114.8 43.5 -60.6 -45.6 35.7 16.8 35.5 188 58 B V H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.918 114.9 48.9 -63.4 -49.5 37.7 19.6 33.9 189 59 B K H X S+ 0 0 45 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.927 113.4 47.1 -56.0 -49.6 37.2 22.0 37.0 190 60 B N H X S+ 0 0 96 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.907 111.4 51.8 -59.1 -42.6 38.3 19.2 39.4 191 61 B D H X S+ 0 0 108 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.938 112.7 43.9 -59.2 -51.6 41.3 18.4 37.2 192 62 B A H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.864 114.2 51.4 -62.7 -40.6 42.4 22.1 37.2 193 63 B R H X S+ 0 0 168 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.887 111.4 47.1 -57.2 -45.6 41.7 22.3 40.9 194 64 B A H X S+ 0 0 58 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.904 112.4 50.2 -66.4 -42.0 43.8 19.2 41.6 195 65 B T H X S+ 0 0 50 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.907 109.0 50.8 -61.8 -48.5 46.6 20.5 39.4 196 66 B A H >X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 3,-0.6 0.914 105.2 57.4 -54.8 -44.3 46.7 23.9 41.2 197 67 B S H 3X S+ 0 0 69 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.837 99.5 59.3 -59.9 -34.1 46.9 22.1 44.6 198 68 B A H 3X S+ 0 0 34 -4,-1.3 4,-1.0 -3,-0.3 -1,-0.2 0.901 107.0 45.8 -58.4 -44.0 50.1 20.4 43.4 199 69 B Y H < S+ 0 0 73 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.904 101.4 61.0 -62.9 -40.6 50.4 25.0 46.2 201 71 B E H 3< S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 109.3 40.4 -52.0 -42.9 52.0 21.9 47.9 202 72 B Y H 3< S+ 0 0 98 -4,-1.0 -1,-0.2 -3,-0.1 -2,-0.2 0.544 94.5 105.5 -91.6 -8.7 55.5 23.0 46.8 203 73 B G << - 0 0 14 -3,-0.8 -36,-0.0 -4,-0.8 -37,-0.0 -0.250 57.4-154.2 -66.4 157.8 55.1 26.7 47.5 204 74 B K + 0 0 153 52,-0.2 2,-0.2 53,-0.1 -1,-0.1 0.236 63.8 104.5-112.1 6.9 56.7 28.4 50.5 205 75 B Q S S- 0 0 16 -5,-0.1 -2,-0.1 52,-0.1 5,-0.0 -0.597 75.6-105.7 -96.8 151.2 54.1 31.1 50.6 206 76 B S >> - 0 0 55 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.267 38.4-104.8 -65.5 158.6 51.2 31.7 52.9 207 77 B V H >> S+ 0 0 71 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.790 111.8 72.9 -62.2 -29.3 47.7 31.0 51.6 208 78 B E H 3> S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.751 87.6 62.0 -60.6 -24.5 46.8 34.7 51.2 209 79 B I H <> S+ 0 0 21 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.907 105.9 46.5 -68.7 -36.1 49.1 35.0 48.2 210 80 B Y H < S+ 0 0 7 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.875 110.6 57.9 -75.7 -37.8 43.3 39.1 40.0 217 87 B A H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 3,-1.5 0.852 99.4 59.5 -58.4 -37.6 42.1 36.0 38.2 218 88 B K H 3X S+ 0 0 100 -4,-2.0 4,-0.9 1,-0.3 -1,-0.3 0.645 93.9 64.3 -69.7 -18.4 38.5 37.1 38.8 219 89 B K H <4 S+ 0 0 134 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.621 114.8 32.5 -76.1 -14.9 39.1 40.3 36.9 220 90 B Y H X4 S+ 0 0 46 -3,-1.5 3,-1.5 -4,-0.4 -2,-0.2 0.752 113.2 57.8-105.0 -41.3 39.7 38.0 33.8 221 91 B S H 3< S+ 0 0 32 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.747 106.1 53.3 -64.2 -24.2 37.3 35.1 34.5 222 92 B G T 3< S+ 0 0 52 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 0.522 87.5 109.2 -85.8 -8.3 34.4 37.7 34.7 223 93 B L < - 0 0 61 -3,-1.5 2,-0.6 11,-0.1 14,-0.1 -0.296 65.3-134.5 -69.6 150.2 35.2 39.2 31.2 224 94 B K - 0 0 170 13,-0.0 2,-0.4 2,-0.0 9,-0.1 -0.954 23.6-170.0-104.7 116.4 33.0 38.6 28.2 225 95 B Y - 0 0 37 7,-0.7 2,-0.3 -2,-0.6 6,-0.1 -0.901 4.6-172.1-106.3 134.6 35.1 37.8 25.1 226 96 B N + 0 0 66 -108,-0.5 -106,-3.0 -2,-0.4 2,-0.3 -0.847 7.3 169.4-125.8 159.2 33.5 37.7 21.6 227 97 B G - 0 0 18 2,-0.3 4,-0.1 -2,-0.3 -83,-0.1 -0.920 50.0 -95.6-154.7 178.3 34.6 36.6 18.1 228 98 B S S S+ 0 0 20 -2,-0.3 2,-0.3 -104,-0.1 -185,-0.1 0.361 110.0 60.1 -84.8 1.9 33.5 35.9 14.5 229 99 B I S S- 0 0 43 2,-0.1 2,-0.6 -188,-0.1 -2,-0.3 -0.900 104.9 -90.9-122.2 156.8 33.3 32.2 15.5 230 100 B S S S+ 0 0 131 -2,-0.3 2,-0.3 -4,-0.1 -2,-0.1 -0.579 75.2 107.3 -77.1 116.7 31.0 30.8 18.2 231 101 B S - 0 0 58 -2,-0.6 -4,-0.2 -4,-0.1 -2,-0.1 -0.910 63.6-136.9-179.5 150.5 32.8 30.7 21.6 232 102 B D - 0 0 107 -2,-0.3 -7,-0.7 -6,-0.1 -1,-0.1 0.517 42.8-139.0 -89.6 -11.2 33.0 32.2 25.0 233 103 B F > + 0 0 25 -9,-0.1 4,-1.1 1,-0.1 3,-0.2 0.869 43.7 158.6 53.1 42.2 36.8 32.1 24.7 234 104 B N H >> + 0 0 43 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.915 68.7 56.1 -58.8 -46.3 37.2 31.0 28.3 235 105 B T H 3> S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.853 104.1 56.2 -52.6 -39.5 40.6 29.5 27.8 236 106 B X H 3> S+ 0 0 58 1,-0.2 4,-2.8 -3,-0.2 -1,-0.2 0.761 96.4 61.8 -69.4 -32.4 41.8 32.9 26.4 237 107 B K H < S+ 0 0 62 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.919 110.5 57.2 -59.3 -43.9 45.4 36.9 29.0 241 111 B F H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 6,-0.2 0.904 100.1 54.9 -53.0 -49.3 45.4 36.6 32.8 242 112 B I H 3< S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.590 105.5 53.6 -70.0 -10.1 48.9 35.0 33.1 243 113 B H T << S+ 0 0 139 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.302 82.2 130.9 -95.3 2.0 50.5 37.9 31.1 244 114 B D <> - 0 0 22 -3,-2.1 4,-2.1 -4,-0.1 5,-0.2 -0.394 54.9-146.2 -64.7 127.7 48.9 40.4 33.6 245 115 B R H > S+ 0 0 160 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 98.7 52.3 -62.1 -42.7 51.4 42.9 35.0 246 116 B E H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 109.2 51.5 -63.4 -36.1 49.8 43.1 38.5 247 117 B L H > S+ 0 0 1 -6,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.948 112.3 43.9 -62.6 -51.5 50.0 39.3 38.7 248 118 B N H X S+ 0 0 40 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.912 115.6 48.7 -64.6 -39.3 53.7 39.2 37.8 249 119 B E H X S+ 0 0 62 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.906 108.8 53.6 -65.1 -42.4 54.5 42.1 40.1 250 120 B L H X S+ 0 0 17 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.914 112.4 45.0 -53.7 -47.3 52.5 40.5 43.0 251 121 B I H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.896 113.3 48.9 -67.2 -42.5 54.6 37.4 42.5 252 122 B K H 3< S+ 0 0 134 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 110.0 53.3 -65.4 -35.4 57.9 39.3 42.3 253 123 B R H 3< S+ 0 0 150 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.620 80.2 140.3 -66.7 -21.8 57.1 41.3 45.4 254 124 B R << - 0 0 39 -3,-0.8 -3,-0.1 -4,-0.6 3,-0.1 0.139 47.9-150.2 -47.6 141.1 56.4 38.3 47.5 255 125 B V S S+ 0 0 142 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.844 89.5 61.5 -74.0 -38.1 57.6 38.4 51.1 256 126 B E 0 0 67 1,-0.2 -52,-0.2 -50,-0.1 -1,-0.2 -0.823 360.0 360.0 -95.9 99.5 58.2 34.6 51.2 257 127 B K 0 0 148 -2,-0.9 -91,-0.2 -53,-0.1 -1,-0.2 0.820 360.0 360.0 -68.9 360.0 60.8 33.9 48.5