==== 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 4J32 . COMPND 2 MOLECULE: PUTATIVE CYTOPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.BENZ,J.REINSTEIN,A.MEINHART . 257 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.0 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 10.9 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 . 1 0.4 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 . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 35.8 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 3 1 2 2 0 0 0 0 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 0 177 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-140.6 38.5 41.4 -14.2 2 3 A R - 0 0 54 52,-0.0 3,-0.1 1,-0.0 88,-0.0 -0.962 360.0 -89.9-139.7 153.0 36.3 40.0 -11.4 3 4 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 52,-0.1 -0.269 53.0-103.6 -54.9 143.5 34.0 36.9 -10.5 4 5 A S > - 0 0 33 50,-0.2 4,-2.2 153,-0.1 5,-0.2 -0.439 25.2-125.4 -67.1 145.7 30.4 37.4 -11.6 5 6 A F H > S+ 0 0 16 153,-2.8 4,-2.8 1,-0.2 5,-0.2 0.947 109.0 51.7 -57.3 -49.4 28.2 38.2 -8.6 6 7 A N H > S+ 0 0 128 152,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.908 112.0 44.7 -57.4 -44.9 25.9 35.3 -9.4 7 8 A E H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 113.9 50.4 -68.3 -35.9 28.7 32.7 -9.7 8 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 111.5 47.9 -65.8 -42.4 30.3 34.0 -6.5 9 10 A W H X S+ 0 0 42 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.899 112.6 48.7 -67.1 -43.8 27.1 33.9 -4.5 10 11 A L H X S+ 0 0 100 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.917 112.7 47.6 -58.9 -48.0 26.3 30.3 -5.7 11 12 A A H >X S+ 0 0 4 -4,-2.1 3,-0.7 1,-0.2 4,-0.7 0.933 107.5 56.2 -64.7 -41.9 29.8 29.1 -4.8 12 13 A F H >< S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.904 101.1 58.5 -55.2 -44.4 29.7 30.7 -1.4 13 14 A R H >< S+ 0 0 142 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.850 94.7 64.5 -54.4 -36.5 26.5 28.8 -0.5 14 15 A K H << S+ 0 0 115 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.756 114.8 31.6 -61.0 -25.6 28.3 25.5 -1.1 15 16 A V T << S+ 0 0 0 -3,-1.5 2,-2.0 -4,-0.7 -1,-0.3 0.182 82.3 114.8-117.6 14.5 30.6 26.3 1.8 16 17 A N < + 0 0 30 -3,-1.4 2,-0.2 -4,-0.2 -3,-0.1 -0.377 61.4 95.4 -82.1 58.1 28.2 28.3 4.0 17 18 A H S S- 0 0 80 -2,-2.0 25,-0.1 1,-0.2 5,-0.1 -0.729 86.7 -54.0-134.2-178.9 28.3 25.6 6.7 18 19 A S > - 0 0 57 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.214 54.1-111.6 -55.4 152.0 30.2 24.7 9.9 19 20 A V H > S+ 0 0 27 1,-0.2 4,-2.3 21,-0.2 5,-0.2 0.893 120.7 56.3 -54.8 -39.2 34.0 24.8 9.6 20 21 A A H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.934 109.5 45.2 -56.1 -46.6 33.9 20.9 10.1 21 22 A D H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 108.7 55.8 -66.8 -39.7 31.5 20.6 7.1 22 23 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.901 106.4 52.5 -55.8 -43.0 33.7 23.0 5.1 23 24 A G H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 8,-0.2 0.898 110.0 47.5 -60.1 -42.8 36.7 20.7 5.8 24 25 A S H < S+ 0 0 101 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.8 48.2 -65.1 -40.4 34.7 17.7 4.5 25 26 A I H < S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.903 121.5 32.5 -67.0 -44.6 33.6 19.6 1.4 26 27 A I H < S+ 0 0 7 -4,-2.6 44,-2.6 -5,-0.2 45,-0.4 0.862 88.7 174.3 -88.6 -38.5 37.0 20.9 0.4 27 28 A G >X + 0 0 18 -4,-2.6 4,-1.7 -5,-0.3 3,-0.8 -0.146 35.2 79.6 65.8-159.6 39.1 18.0 1.7 28 29 A G H 3> S- 0 0 33 41,-0.3 4,-2.3 1,-0.2 41,-0.2 -0.252 116.7 -22.0 57.0-146.1 42.9 17.7 1.1 29 30 A N H 3> S+ 0 0 68 39,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.800 140.0 59.9 -66.5 -31.6 45.1 19.8 3.4 30 31 A V H <> S+ 0 0 0 38,-1.7 4,-2.1 -3,-0.8 -2,-0.2 0.971 110.0 42.8 -54.0 -55.4 42.1 22.1 4.1 31 32 A G H X S+ 0 0 9 -4,-1.7 4,-3.1 -8,-0.2 -2,-0.2 0.899 112.1 52.9 -57.9 -46.0 40.2 19.1 5.5 32 33 A K H X S+ 0 0 155 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.903 111.1 46.6 -58.0 -43.6 43.2 17.7 7.4 33 34 A N H <>S+ 0 0 42 -4,-2.3 5,-1.8 2,-0.2 6,-1.0 0.849 113.6 48.4 -69.8 -35.1 43.8 21.0 9.2 34 35 A I H ><5S+ 0 0 12 -4,-2.1 3,-1.1 4,-0.2 -2,-0.2 0.919 111.0 49.9 -68.2 -43.9 40.2 21.3 10.0 35 36 A T H 3<5S+ 0 0 128 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.885 110.3 51.4 -59.5 -39.5 40.0 17.7 11.4 36 37 A G T 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.573 115.4-120.1 -73.5 -9.7 43.1 18.5 13.4 37 38 A G T < 5S+ 0 0 36 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.458 78.6 123.2 83.4 4.6 41.4 21.6 14.8 38 39 A Y S + 0 0 4 -2,-0.8 4,-3.1 1,-0.2 3,-0.4 0.627 56.7 99.7 -76.6 -11.9 36.0 29.4 8.0 43 44 A C H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 87.9 35.0 -42.7 -61.5 35.8 33.1 6.8 44 45 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 32,-0.4 0.809 116.0 56.4 -71.3 -24.4 38.9 33.2 4.6 45 46 A I H > S+ 0 0 1 -4,-0.4 4,-2.3 -3,-0.4 -2,-0.2 0.894 107.0 49.1 -71.2 -39.6 38.5 29.6 3.4 46 47 A R H X S+ 0 0 17 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.928 111.7 48.7 -64.7 -42.7 35.0 30.3 2.1 47 48 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.891 110.2 52.3 -62.6 -39.0 36.3 33.4 0.2 48 49 A S H X S+ 0 0 0 -4,-2.2 4,-2.9 28,-0.3 5,-0.2 0.923 107.2 52.3 -60.9 -44.5 39.1 31.3 -1.2 49 50 A Y H X S+ 0 0 49 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.937 107.9 52.4 -56.1 -47.5 36.6 28.7 -2.4 50 51 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 6,-0.2 0.934 112.4 44.3 -53.0 -51.2 34.6 31.5 -4.1 51 52 A L H <>S+ 0 0 4 -4,-2.3 5,-2.3 1,-0.2 3,-0.4 0.941 115.7 47.0 -63.4 -45.7 37.7 32.7 -6.0 52 53 A N H ><5S+ 0 0 6 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.888 114.7 48.0 -62.3 -36.2 38.8 29.2 -6.9 53 54 A A H 3<5S+ 0 0 52 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.694 107.7 52.2 -80.7 -20.4 35.3 28.3 -8.1 54 55 A T T 3<5S- 0 0 12 -4,-1.5 -50,-0.2 -3,-0.4 -1,-0.2 0.271 121.7 -93.3-104.0 7.3 34.6 31.3 -10.2 55 56 A G T < 5S+ 0 0 56 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.644 102.4 100.9 90.6 16.8 37.7 31.2 -12.4 56 57 A F < - 0 0 62 -5,-2.3 -3,-0.1 -6,-0.2 -4,-0.1 -0.468 57.1-176.0-124.6 58.6 39.9 33.5 -10.3 57 58 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.165 32.9-106.4 -66.2 147.5 42.0 31.0 -8.4 58 59 A I - 0 0 3 16,-0.4 16,-0.5 -10,-0.2 2,-0.0 -0.608 43.2-117.6 -68.3 122.6 44.6 32.0 -5.8 59 60 A A > - 0 0 48 -2,-0.4 3,-1.6 1,-0.1 -1,-0.1 -0.344 12.4-124.4 -67.4 144.7 48.0 31.6 -7.3 60 61 A R T 3 S+ 0 0 174 1,-0.3 -1,-0.1 3,-0.1 6,-0.1 0.891 111.5 46.4 -52.2 -43.4 50.3 29.0 -5.7 61 62 A N T 3 S+ 0 0 122 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.264 76.4 133.7 -93.7 13.6 53.0 31.7 -5.3 62 63 A S S < S- 0 0 16 -3,-1.6 2,-2.3 1,-0.1 4,-0.0 -0.416 70.1-114.1 -54.7 134.6 50.8 34.4 -3.8 63 64 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.231 85.0 95.9 -77.1 52.6 52.6 35.8 -0.8 64 65 A Y S S- 0 0 31 -2,-2.3 2,-0.1 20,-0.0 -2,-0.1 -0.990 84.5 -98.2-140.5 143.5 50.0 34.5 1.7 65 66 A A + 0 0 28 -2,-0.3 12,-0.9 11,-0.0 13,-0.4 -0.390 57.3 157.5 -61.8 132.2 49.8 31.4 3.9 66 67 A K E -A 76 0A 47 10,-0.2 2,-0.3 11,-0.1 10,-0.2 -0.985 29.9-150.1-154.9 157.6 47.6 28.8 2.2 67 68 A V E -A 75 0A 24 8,-2.1 8,-2.4 -2,-0.3 2,-0.1 -0.964 27.5-108.6-130.3 154.8 46.9 25.1 2.0 68 69 A S E -A 74 0A 28 -2,-0.3 -38,-1.7 6,-0.2 -39,-0.8 -0.430 22.9-144.2 -82.7 150.1 45.6 22.9 -0.8 69 70 A G > - 0 0 2 4,-2.4 3,-2.1 -40,-0.2 -41,-0.3 -0.447 41.5 -90.9 -91.2 179.1 42.2 21.3 -1.1 70 71 A A T 3 S+ 0 0 69 -44,-2.6 -43,-0.1 1,-0.3 -42,-0.1 0.774 129.3 63.7 -60.6 -23.8 41.4 17.9 -2.7 71 72 A D T 3 S- 0 0 65 -45,-0.4 -1,-0.3 -44,-0.1 3,-0.1 0.428 114.4-120.4 -75.3 -2.0 41.0 20.0 -5.9 72 73 A N S < S+ 0 0 125 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.637 75.9 124.5 63.0 15.3 44.7 20.9 -5.7 73 74 A K - 0 0 90 -6,-0.0 -4,-2.4 -14,-0.0 2,-0.3 -0.573 62.8-103.9 -95.6 170.2 43.7 24.5 -5.6 74 75 A F E -A 68 0A 57 -16,-0.5 2,-0.5 -6,-0.2 -16,-0.4 -0.781 24.2-162.6-114.8 143.8 44.8 26.8 -2.7 75 76 A Y E -A 67 0A 2 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.3 -0.974 13.4-142.6-131.0 114.4 43.0 28.2 0.3 76 77 A I E -A 66 0A 0 -2,-0.5 -28,-0.3 -32,-0.4 -10,-0.2 -0.568 13.6-170.3 -72.9 136.5 44.1 31.2 2.4 77 78 A Y + 0 0 66 -12,-0.9 2,-0.4 -2,-0.3 -36,-0.2 0.431 56.9 79.3-117.2 -1.7 43.4 30.6 6.1 78 79 A R > - 0 0 137 -13,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.933 65.3-145.7-109.0 134.0 44.0 34.0 7.7 79 80 A V H > S+ 0 0 11 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.929 102.8 52.4 -56.9 -48.0 41.5 36.8 7.6 80 81 A N H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 110.5 49.1 -59.9 -38.2 44.3 39.5 7.4 81 82 A D H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 109.5 50.5 -68.8 -40.8 45.8 37.6 4.5 82 83 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.923 110.7 50.1 -64.9 -42.5 42.5 37.3 2.6 83 84 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.943 113.7 44.6 -57.9 -48.7 42.0 41.1 3.1 84 85 A D H X S+ 0 0 68 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.880 110.1 56.3 -65.9 -38.0 45.5 41.9 1.8 85 86 A Y H X S+ 0 0 18 -4,-2.8 4,-1.0 2,-0.2 5,-0.2 0.934 109.2 45.5 -57.5 -49.1 45.1 39.4 -1.1 86 87 A L H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.7 0.908 108.3 56.8 -63.5 -40.1 41.9 41.2 -2.3 87 88 A T H 3< S+ 0 0 68 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.862 113.7 41.3 -57.1 -36.0 43.5 44.6 -2.0 88 89 A H H 3< S+ 0 0 141 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.569 126.1 30.4 -94.2 -8.6 46.3 43.5 -4.3 89 90 A T H << S+ 0 0 71 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.2 0.626 107.4 63.2-119.6 -24.3 44.2 41.6 -6.9 90 91 A M S < S- 0 0 11 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.526 89.1-135.8 -89.1 -7.6 40.8 43.3 -7.0 91 92 A G - 0 0 37 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.411 59.7 -6.7 83.4-164.4 41.7 46.7 -8.3 92 93 A K S S- 0 0 168 -2,-0.1 -5,-0.0 1,-0.1 2,-0.0 -0.447 77.4-116.9 -67.7 132.9 40.3 49.9 -6.9 93 94 A P - 0 0 47 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.322 13.3-143.4 -63.9 153.1 37.5 49.5 -4.4 94 95 A D S S+ 0 0 74 60,-2.5 2,-0.3 1,-0.3 61,-0.2 0.746 82.3 20.9 -90.8 -27.6 34.2 50.9 -5.4 95 96 A L E -B 154 0B 41 59,-1.5 59,-2.6 2,-0.0 2,-0.4 -0.987 57.6-177.9-141.5 132.5 33.1 52.1 -2.0 96 97 A I E -B 153 0B 114 -2,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.993 13.8-173.9-126.7 125.1 35.1 52.9 1.1 97 98 A V E -B 152 0B 22 55,-3.1 55,-2.5 -2,-0.4 2,-0.2 -0.972 17.0-143.8-128.6 119.1 33.1 53.9 4.2 98 99 A N E S+B 151 0B 113 -2,-0.5 53,-0.3 1,-0.3 52,-0.1 -0.590 90.1 3.9 -73.6 141.1 34.4 55.2 7.5 99 100 A N S S- 0 0 107 51,-3.6 -1,-0.3 -2,-0.2 52,-0.2 0.930 99.7-156.4 48.1 56.5 32.4 54.0 10.6 100 101 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.221 21.2-167.4 -73.7 150.0 30.1 51.9 8.2 101 102 A K > - 0 0 126 51,-0.1 3,-1.7 1,-0.0 4,-0.4 -0.914 38.1-109.9-123.1 157.7 26.6 50.7 8.8 102 103 A Q G > S+ 0 0 98 -2,-0.3 3,-2.1 1,-0.3 4,-0.3 0.869 116.5 65.2 -54.5 -37.7 24.8 48.1 6.6 103 104 A S G > S+ 0 0 65 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.766 89.3 67.5 -58.1 -26.2 22.6 50.8 5.2 104 105 A D G < S+ 0 0 57 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.672 101.8 47.6 -66.8 -18.0 25.7 52.5 3.6 105 106 A F G X S+ 0 0 5 -3,-2.1 3,-1.5 -4,-0.4 -1,-0.2 0.361 79.8 132.7-109.0 4.2 26.0 49.5 1.2 106 107 A I T < + 0 0 117 -3,-1.1 26,-0.2 -4,-0.3 3,-0.1 -0.236 69.3 20.3 -57.4 137.7 22.4 49.2 0.1 107 108 A G T 3 S+ 0 0 69 24,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.405 106.5 86.3 89.1 -4.9 21.9 48.8 -3.6 108 109 A K < - 0 0 96 -3,-1.5 2,-0.3 23,-0.1 23,-0.2 -0.947 57.9-159.2-127.9 152.7 25.3 47.6 -4.5 109 110 A K + 0 0 81 -2,-0.3 48,-2.0 21,-0.2 2,-0.3 -0.967 35.3 72.0-137.8 146.0 26.7 44.0 -4.5 110 111 A G E S-CD 129 156B 0 19,-2.4 19,-2.3 -2,-0.3 2,-0.5 -0.991 80.1 -9.9 157.0-144.1 30.0 42.2 -4.3 111 112 A I E -CD 128 155B 0 44,-2.4 44,-2.6 -2,-0.3 2,-0.4 -0.800 59.4-164.0 -94.8 126.9 32.8 41.4 -2.0 112 113 A I E -CD 127 154B 11 15,-2.7 15,-2.4 -2,-0.5 2,-0.4 -0.905 9.5-170.2-114.3 136.7 32.7 43.3 1.4 113 114 A V E -CD 126 153B 3 40,-2.7 40,-2.8 -2,-0.4 2,-0.4 -0.989 3.3-173.3-119.3 132.6 35.5 43.8 3.9 114 115 A V E -CD 125 152B 34 11,-2.4 11,-2.4 -2,-0.4 2,-0.4 -0.998 1.3-171.1-122.8 127.1 34.8 45.2 7.4 115 116 A K E +CD 124 151B 82 36,-2.7 35,-3.1 -2,-0.4 36,-2.0 -0.930 27.7 124.0-110.2 142.6 37.7 46.0 9.7 116 117 A G E - D 0 149B 0 7,-2.4 2,-0.3 -2,-0.4 3,-0.2 -0.972 49.4 -85.7-171.9-171.5 37.0 47.0 13.3 117 118 A H E S+ D 0 148B 87 31,-1.8 31,-3.3 -2,-0.3 3,-0.1 -0.738 80.0 64.9-114.6 160.9 37.5 46.4 17.0 118 119 A G S S+ 0 0 35 1,-0.4 111,-0.4 -2,-0.3 2,-0.4 0.206 71.0 106.7 116.9 -14.1 35.9 44.2 19.6 119 120 A W - 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0 0 63 -4,-1.7 0, 0.0 -5,-0.2 0, 0.0 -0.611 57.9-158.8 -89.4 144.2 35.7 26.2 32.7 187 54 B K + 0 0 196 -2,-0.2 -1,-0.1 4,-0.0 5,-0.0 0.870 60.1 99.1 -86.9 -40.8 32.2 24.8 33.6 188 55 B D > - 0 0 92 1,-0.1 4,-2.9 4,-0.1 5,-0.2 -0.220 66.9-141.7 -60.2 129.8 32.8 21.0 33.3 189 56 B D H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.879 99.2 52.2 -61.0 -42.3 33.3 19.4 36.7 190 57 B V H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 114.9 43.0 -61.4 -46.2 36.0 16.9 35.6 191 58 B V H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 115.0 49.0 -62.9 -48.9 38.0 19.8 34.0 192 59 B K H X S+ 0 0 46 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.931 112.9 47.8 -58.3 -45.5 37.5 22.2 37.0 193 60 B N H X S+ 0 0 93 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.855 111.0 51.7 -65.1 -34.5 38.5 19.5 39.4 194 61 B D H X S+ 0 0 107 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.928 111.0 46.3 -66.7 -47.0 41.6 18.6 37.3 195 62 B A H X S+ 0 0 8 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.895 113.6 50.1 -62.9 -39.9 42.7 22.3 37.2 196 63 B R H X S+ 0 0 164 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.899 111.4 48.0 -62.9 -43.6 42.1 22.6 41.0 197 64 B A H X S+ 0 0 56 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.924 112.4 49.6 -63.8 -43.9 44.1 19.4 41.7 198 65 B T H >X S+ 0 0 52 -4,-2.6 4,-1.3 1,-0.2 3,-0.6 0.929 110.1 49.9 -60.8 -48.5 46.9 20.7 39.5 199 66 B A H 3X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.923 105.2 58.2 -57.6 -39.3 47.0 24.1 41.2 200 67 B S H 3X S+ 0 0 70 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.836 99.9 58.6 -63.6 -30.0 47.1 22.3 44.6 201 68 B A H < S+ 0 0 72 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.879 101.3 61.2 -60.4 -39.9 50.8 25.2 46.3 204 71 B E H 3< S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.6 41.9 -54.1 -42.8 52.3 22.1 48.0 205 72 B Y H 3< S+ 0 0 97 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.531 94.3 103.9 -89.2 -7.0 55.8 23.1 46.9 206 73 B G << - 0 0 15 -3,-0.8 -37,-0.0 -4,-0.7 -36,-0.0 -0.300 58.3-153.8 -70.2 157.1 55.5 26.9 47.6 207 74 B K + 0 0 153 52,-0.2 2,-0.2 53,-0.1 -1,-0.1 0.217 63.9 106.3-111.4 11.0 57.0 28.5 50.7 208 75 B Q S S- 0 0 18 -5,-0.1 -2,-0.1 52,-0.1 2,-0.0 -0.587 74.7-106.4 -96.4 154.0 54.4 31.3 50.7 209 76 B S >> - 0 0 54 -2,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.277 37.7-105.5 -70.6 160.1 51.5 31.9 53.0 210 77 B V H >> S+ 0 0 71 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.793 111.2 72.7 -65.0 -27.3 48.0 31.2 51.7 211 78 B E H 3> S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.772 88.2 62.2 -62.7 -24.9 47.1 34.9 51.3 212 79 B I H <> S+ 0 0 22 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.909 105.7 46.4 -66.7 -35.4 49.4 35.2 48.3 213 80 B Y H + 0 0 45 -3,-1.6 3,-1.4 -4,-0.6 -3,-0.1 0.772 360.0 59.3-100.9 -38.6 40.0 38.2 33.9 224 91 B S T 3 S+ 0 0 46 -4,-2.8 16,-0.1 1,-0.3 17,-0.1 0.775 105.7 51.9 -67.9 -24.1 37.6 35.3 34.6 225 92 B G T 3 S+ 0 0 59 -5,-0.2 -1,-0.3 15,-0.1 -2,-0.1 0.431 86.8 110.4 -90.0 -4.5 34.6 37.8 34.7 226 93 B L < - 0 0 63 -3,-1.4 2,-0.6 11,-0.1 14,-0.1 -0.335 64.6-134.9 -66.9 152.6 35.5 39.3 31.3 227 94 B K - 0 0 172 13,-0.0 2,-0.4 -2,-0.0 9,-0.1 -0.964 23.2-169.1-109.6 116.9 33.2 38.7 28.3 228 95 B Y - 0 0 36 7,-0.7 2,-0.3 -2,-0.6 6,-0.1 -0.877 4.1-173.0-106.8 139.4 35.3 37.9 25.2 229 96 B N + 0 0 63 -111,-0.4 -109,-2.9 -2,-0.4 2,-0.3 -0.848 7.1 167.7-128.9 157.9 33.7 37.8 21.7 230 97 B G - 0 0 6 2,-0.3 4,-0.1 -2,-0.3 -89,-0.1 -0.928 51.1 -92.3-156.3-178.5 34.9 36.8 18.2 231 98 B S S S+ 0 0 21 -2,-0.3 2,-0.3 -107,-0.1 -90,-0.1 0.365 109.5 60.2 -85.8 2.6 33.8 36.1 14.6 232 99 B I S S- 0 0 40 2,-0.1 2,-0.6 -191,-0.1 -2,-0.3 -0.915 103.4 -90.1-122.3 157.2 33.5 32.4 15.6 233 100 B S S S+ 0 0 108 -2,-0.3 2,-0.3 -4,-0.1 -2,-0.1 -0.536 76.4 105.1 -72.1 112.8 31.3 30.8 18.3 234 101 B S - 0 0 60 -2,-0.6 -4,-0.2 -4,-0.1 -2,-0.1 -0.903 64.3-136.4-176.9 152.1 33.1 30.7 21.6 235 102 B D - 0 0 114 -2,-0.3 -7,-0.7 -6,-0.1 -1,-0.1 0.473 42.0-137.9 -87.2 -8.4 33.3 32.4 25.0 236 103 B F > + 0 0 25 1,-0.1 4,-1.2 -9,-0.1 -7,-0.1 0.858 45.1 157.5 50.3 42.3 37.1 32.3 24.7 237 104 B N H >> S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.911 70.4 54.8 -60.9 -41.9 37.4 31.2 28.4 238 105 B T H 3> S+ 0 0 64 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.892 104.5 56.2 -59.4 -40.9 40.9 29.7 27.8 239 106 B M H 3> S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.801 97.1 61.5 -61.8 -35.3 41.9 33.1 26.4 240 107 B K H < S+ 0 0 64 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.913 110.8 56.6 -63.0 -42.9 45.7 37.1 29.0 244 111 B F H >< S+ 0 0 0 -4,-2.2 3,-2.3 -5,-0.2 -2,-0.2 0.910 99.3 56.9 -55.2 -44.8 45.7 36.8 32.8 245 112 B I H 3< S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 105.3 53.0 -72.1 -8.9 49.1 35.1 33.1 246 113 B H T << S+ 0 0 142 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.368 81.2 130.7 -94.5 0.3 50.7 38.1 31.2 247 114 B D <> - 0 0 24 -3,-2.3 4,-2.0 -4,-0.2 5,-0.1 -0.338 54.6-146.2 -64.4 130.7 49.2 40.6 33.6 248 115 B R H > S+ 0 0 185 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 98.2 54.2 -64.3 -41.8 51.7 43.1 35.0 249 116 B E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 109.3 49.3 -59.1 -43.0 50.0 43.3 38.4 250 117 B L H > S+ 0 0 1 2,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.928 111.7 47.0 -61.7 -48.0 50.3 39.5 38.8 251 118 B N H X S+ 0 0 43 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.909 113.6 48.5 -68.8 -34.9 53.9 39.4 37.8 252 119 B E H X S+ 0 0 57 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.892 108.3 55.2 -66.4 -41.0 54.8 42.4 40.2 253 120 B L H < S+ 0 0 19 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.914 111.2 44.3 -54.8 -46.8 52.9 40.7 43.1 254 121 B I H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.894 114.1 48.5 -68.0 -41.0 55.0 37.6 42.6 255 122 B K H 3< S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 111.1 51.9 -69.2 -31.9 58.2 39.5 42.3 256 123 B R T 3< S+ 0 0 158 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.512 80.8 140.0 -72.0 -15.7 57.4 41.6 45.5 257 124 B R < - 0 0 37 -3,-0.9 -3,-0.1 -4,-0.4 3,-0.0 0.030 48.8-149.0 -54.5 140.4 56.7 38.6 47.6 258 125 B V S S+ 0 0 143 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.879 89.7 61.6 -70.7 -39.0 57.9 38.6 51.2 259 126 B E 0 0 66 1,-0.2 -52,-0.2 -50,-0.1 -1,-0.2 -0.789 360.0 360.0 -93.3 100.1 58.5 34.9 51.3 260 127 B K 0 0 144 -2,-0.9 -1,-0.2 -53,-0.1 -91,-0.1 0.847 360.0 360.0 -70.4 360.0 61.1 34.1 48.6