==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-12 4HFF . COMPND 2 MOLECULE: PUTATIVE CYTOPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.ZHANG,Z.Q.GAO,Y.H.DONG . 255 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 65.1 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 . 2 0.8 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 37.6 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 0 3 0 0 0 1 1 1 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 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.6 55.3 13.1 74.9 2 3 A R - 0 0 45 52,-0.0 3,-0.1 88,-0.0 153,-0.0 -0.988 360.0-100.0-140.7 149.2 52.9 11.6 72.3 3 4 A P - 0 0 1 0, 0.0 52,-0.1 0, 0.0 48,-0.0 -0.320 49.6-100.2 -61.9 146.5 49.1 11.1 71.6 4 5 A S > - 0 0 33 50,-0.3 4,-2.3 151,-0.1 5,-0.2 -0.380 27.5-124.8 -65.0 146.3 47.7 7.7 72.6 5 6 A F H > S+ 0 0 15 151,-3.2 4,-2.8 2,-0.2 5,-0.2 0.917 107.7 51.6 -56.4 -46.9 47.3 5.4 69.5 6 7 A N H > S+ 0 0 124 150,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.934 112.0 45.1 -60.4 -45.3 43.6 4.7 70.2 7 8 A E H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 113.2 51.5 -63.7 -43.4 42.7 8.4 70.5 8 9 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.930 110.5 47.6 -56.1 -49.6 44.8 9.2 67.4 9 10 A W H X S+ 0 0 48 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.900 113.4 48.9 -62.0 -41.5 43.0 6.5 65.4 10 11 A L H X S+ 0 0 100 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.968 112.4 47.3 -59.8 -55.4 39.6 7.7 66.6 11 12 A A H X S+ 0 0 5 -4,-2.8 4,-0.8 1,-0.2 3,-0.4 0.935 111.0 52.0 -49.9 -53.5 40.4 11.3 65.7 12 13 A F H >X S+ 0 0 3 -4,-2.8 3,-1.3 1,-0.3 4,-0.7 0.901 104.1 56.4 -56.9 -44.2 41.7 10.4 62.3 13 14 A R H >< S+ 0 0 147 -4,-2.3 3,-1.2 1,-0.3 -1,-0.3 0.907 98.3 63.4 -56.8 -36.9 38.5 8.4 61.5 14 15 A K H 3< S+ 0 0 124 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.802 114.9 30.9 -56.6 -27.3 36.6 11.6 62.2 15 16 A V H << S+ 0 0 0 -3,-1.3 2,-2.6 -4,-0.8 -1,-0.3 0.287 82.2 116.4-115.5 11.4 38.3 13.3 59.2 16 17 A N << + 0 0 57 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.1 -0.401 60.1 94.9 -77.1 67.3 38.9 10.3 57.0 17 18 A H S S- 0 0 94 -2,-2.6 5,-0.1 1,-0.1 25,-0.1 -0.844 86.0 -52.8-144.0 176.5 36.6 11.8 54.3 18 19 A S > - 0 0 63 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.151 55.1-111.4 -51.9 150.7 36.7 13.8 51.1 19 20 A V H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.849 119.8 56.0 -55.9 -35.4 38.6 17.1 51.4 20 21 A A H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 108.5 46.2 -62.2 -47.0 35.3 18.9 51.0 21 22 A D H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 108.5 55.9 -62.0 -42.4 33.9 17.1 54.0 22 23 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.923 106.5 52.7 -54.1 -44.3 37.0 17.8 55.9 23 24 A G H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 8,-0.3 0.904 109.6 46.8 -56.0 -47.5 36.3 21.4 55.2 24 25 A S H < S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 114.3 48.9 -64.8 -32.8 32.8 21.2 56.5 25 26 A I H < S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.932 121.1 31.1 -74.3 -46.2 34.0 19.4 59.6 26 27 A I H < S+ 0 0 8 -4,-2.7 44,-2.5 -5,-0.2 45,-0.5 0.826 90.0 174.9 -86.0 -32.5 36.8 21.7 60.6 27 28 A G >X + 0 0 19 -4,-2.4 4,-2.0 -5,-0.4 3,-0.9 -0.103 34.5 77.8 61.5-158.5 35.3 24.9 59.3 28 29 A G H 3> S- 0 0 39 41,-0.3 4,-2.4 1,-0.2 41,-0.2 -0.153 116.0 -19.6 54.1-147.7 36.8 28.4 59.8 29 30 A N H 3> S+ 0 0 83 39,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.779 140.5 57.2 -63.5 -27.8 39.8 29.2 57.5 30 31 A V H <> S+ 0 0 0 38,-1.3 4,-2.3 -3,-0.9 -2,-0.2 0.981 110.8 42.4 -61.3 -56.4 40.4 25.5 56.8 31 32 A G H X S+ 0 0 7 -4,-2.0 4,-2.6 -8,-0.3 -2,-0.2 0.860 114.2 53.4 -56.1 -39.4 36.8 25.2 55.5 32 33 A K H X S+ 0 0 72 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.921 109.8 45.5 -66.3 -45.9 37.2 28.5 53.7 33 34 A N H <>S+ 0 0 4 -4,-2.5 5,-1.8 2,-0.2 6,-1.1 0.845 114.3 49.0 -68.0 -33.5 40.3 27.5 51.8 34 35 A I H ><5S+ 0 0 12 -4,-2.3 3,-1.4 4,-0.2 -2,-0.2 0.913 109.1 52.8 -68.7 -43.2 38.9 24.1 50.9 35 36 A T H 3<5S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.900 109.7 49.2 -56.0 -43.5 35.7 25.8 49.7 36 37 A G T 3<5S- 0 0 30 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.484 115.5-118.5 -77.3 -3.3 37.8 28.1 47.5 37 38 A G T < 5S+ 0 0 5 -3,-1.4 -3,-0.2 2,-0.2 160,-0.2 0.482 80.9 121.4 81.1 2.8 39.8 25.1 46.1 38 39 A Y S + 0 0 4 -2,-0.8 4,-3.6 1,-0.2 5,-0.3 0.586 56.1 99.3 -76.8 -10.9 43.8 16.8 53.1 43 44 A C H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 87.6 35.5 -45.5 -60.3 46.7 14.7 54.4 44 45 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 32,-0.4 0.859 118.0 54.9 -68.3 -30.3 48.5 17.2 56.5 45 46 A I H > S+ 0 0 1 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.938 107.9 48.6 -66.1 -43.6 45.2 18.7 57.5 46 47 A R H X S+ 0 0 33 -4,-3.6 4,-2.3 2,-0.2 -1,-0.2 0.938 111.9 48.7 -59.0 -47.2 44.0 15.4 58.8 47 48 A X H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.911 109.3 53.6 -60.5 -39.3 47.2 14.8 60.7 48 49 A S H X S+ 0 0 0 -4,-2.4 4,-2.9 28,-0.3 10,-0.2 0.898 106.8 52.2 -57.4 -44.0 46.8 18.3 62.2 49 50 A Y H X S+ 0 0 45 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.920 108.2 52.0 -60.0 -44.3 43.3 17.4 63.3 50 51 A V H >X S+ 0 0 1 -4,-2.3 4,-1.3 2,-0.2 3,-0.5 0.956 112.4 43.4 -56.8 -53.8 44.7 14.3 65.0 51 52 A L H 3<>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.2 3,-0.5 0.922 115.5 49.0 -58.9 -46.2 47.3 16.3 66.9 52 53 A N H 3<5S+ 0 0 5 -4,-2.9 -1,-0.2 1,-0.2 3,-0.2 0.713 113.5 47.5 -64.5 -24.3 44.8 19.0 67.9 53 54 A A H <<5S+ 0 0 51 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.677 107.9 52.9 -93.8 -18.6 42.2 16.5 69.1 54 55 A T T <5S- 0 0 12 -4,-1.3 -50,-0.3 -3,-0.5 -1,-0.2 0.242 121.9 -88.4-108.0 11.4 44.4 14.3 71.2 55 56 A G T 5S+ 0 0 59 -4,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.600 105.9 95.7 95.0 12.6 46.1 16.9 73.5 56 57 A F < - 0 0 64 -5,-2.1 -3,-0.1 -6,-0.2 -4,-0.1 -0.403 57.2-178.6-128.4 58.2 49.1 17.7 71.3 57 58 A P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.166 34.2-105.5 -67.1 149.1 47.9 20.8 69.5 58 59 A I - 0 0 4 16,-0.4 16,-0.5 -10,-0.2 2,-0.0 -0.593 41.0-117.7 -72.5 126.0 50.0 22.6 66.9 59 60 A A > - 0 0 42 -2,-0.4 3,-1.5 1,-0.1 -1,-0.1 -0.350 12.3-125.5 -67.4 145.7 51.4 25.8 68.4 60 61 A R T 3 S+ 0 0 184 1,-0.3 -1,-0.1 3,-0.1 6,-0.1 0.735 110.7 47.3 -61.1 -22.0 50.4 29.1 66.8 61 62 A N T 3 S+ 0 0 138 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.307 73.7 128.6-107.9 6.1 54.1 30.0 66.5 62 63 A S S < S- 0 0 12 -3,-1.5 2,-3.2 1,-0.1 4,-0.1 -0.422 73.9-111.5 -61.8 137.3 55.5 26.7 65.0 63 64 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.225 85.2 99.7 -75.0 57.8 57.5 27.8 62.0 64 65 A Y S S- 0 0 32 -2,-3.2 2,-0.2 20,-0.0 -2,-0.1 -0.991 85.5 -93.5-141.1 145.3 55.1 26.1 59.5 65 66 A A + 0 0 23 -2,-0.3 12,-1.0 140,-0.0 13,-0.4 -0.419 55.3 176.6 -61.4 121.7 52.3 27.5 57.4 66 67 A K E -A 76 0A 49 -2,-0.2 2,-0.4 10,-0.2 10,-0.2 -0.899 22.8-161.3-130.0 154.7 49.1 27.1 59.3 67 68 A V E -A 75 0A 11 8,-1.8 8,-2.5 -2,-0.3 2,-0.1 -0.996 25.9-119.1-136.0 138.7 45.5 28.0 58.9 68 69 A S E -A 74 0A 27 -2,-0.4 -38,-1.3 6,-0.2 -39,-0.5 -0.451 20.6-149.5 -78.2 151.7 42.9 28.2 61.8 69 70 A G > - 0 0 1 4,-2.3 3,-2.3 -40,-0.2 -41,-0.3 -0.524 41.6 -88.2-100.9 179.2 39.8 26.1 62.0 70 71 A A T 3 S+ 0 0 69 -44,-2.5 -43,-0.1 1,-0.3 -42,-0.1 0.764 129.2 62.5 -58.3 -24.2 36.4 27.0 63.6 71 72 A D T 3 S- 0 0 68 -45,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.477 113.9-120.6 -78.2 -0.6 37.9 25.6 66.8 72 73 A N S < S+ 0 0 126 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.619 75.5 125.9 64.6 14.0 40.6 28.4 66.7 73 74 A K - 0 0 86 1,-0.0 -4,-2.3 -14,-0.0 2,-0.4 -0.568 62.3-102.5 -94.5 169.9 43.2 25.6 66.6 74 75 A F E -A 68 0A 32 -16,-0.5 2,-0.5 -6,-0.2 -16,-0.4 -0.759 25.4-164.5-113.5 139.5 45.8 25.4 63.8 75 76 A Y E -A 67 0A 3 -8,-2.5 -8,-1.8 -2,-0.4 2,-0.2 -0.957 13.2-144.0-126.7 118.3 46.1 23.2 60.7 76 77 A I E -A 66 0A 0 -2,-0.5 -28,-0.3 -32,-0.4 -10,-0.2 -0.557 12.0-168.6 -75.4 140.7 49.2 22.7 58.6 77 78 A Y + 0 0 11 -12,-1.0 2,-0.4 -2,-0.2 -36,-0.2 0.456 57.5 77.5-118.0 1.0 48.4 22.4 54.9 78 79 A R > - 0 0 8 -13,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.941 67.0-142.5-115.7 132.9 51.7 21.2 53.3 79 80 A V H > S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.926 103.5 51.8 -54.9 -49.5 52.9 17.6 53.5 80 81 A N H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 110.3 49.0 -57.7 -39.7 56.5 18.6 53.8 81 82 A D H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 109.9 51.2 -64.3 -45.0 55.7 21.0 56.7 82 83 A X H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.930 111.4 48.3 -59.6 -45.3 53.7 18.2 58.5 83 84 A I H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.940 112.9 46.6 -59.5 -51.0 56.6 15.9 58.1 84 85 A D H X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.905 109.6 55.9 -59.0 -40.2 59.1 18.4 59.4 85 86 A Y H X S+ 0 0 16 -4,-2.6 4,-1.8 1,-0.2 3,-0.5 0.936 108.9 45.8 -57.3 -52.3 56.8 19.3 62.3 86 87 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.5 0.913 110.4 54.3 -57.9 -43.0 56.6 15.6 63.4 87 88 A T H < S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.2 39.4 -60.5 -27.8 60.4 15.4 63.1 88 89 A H H < S+ 0 0 134 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.643 122.8 34.8-103.5 -13.7 60.8 18.4 65.4 89 90 A T H < S+ 0 0 65 -4,-1.8 -3,-0.2 -3,-0.2 -2,-0.2 0.737 123.8 39.2-107.9 -34.1 58.1 17.9 68.0 90 91 A X S < S- 0 0 20 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.598 100.9-145.2 -89.6 -11.2 58.1 14.1 68.4 91 92 A G - 0 0 36 -5,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 -0.636 53.2 -2.4 82.5-139.7 61.8 13.9 68.1 92 93 A K S S- 0 0 79 -2,-0.3 -5,-0.0 -3,-0.1 -4,-0.0 -0.735 78.5-110.0 -98.3 140.9 63.5 11.0 66.5 93 94 A P - 0 0 33 0, 0.0 60,-0.3 0, 0.0 3,-0.1 -0.089 10.2-132.7 -67.6 160.9 61.5 8.0 65.1 94 95 A D S S+ 0 0 83 58,-2.5 2,-0.4 1,-0.3 59,-0.2 0.757 93.2 28.7 -83.6 -26.2 61.5 4.5 66.5 95 96 A L E -B 152 0B 40 57,-2.0 57,-2.5 2,-0.0 2,-0.4 -0.991 58.9-179.9-140.8 129.3 62.0 3.0 63.1 96 97 A I E +B 151 0B 112 -2,-0.4 2,-0.4 55,-0.2 55,-0.2 -0.988 13.4 178.3-127.7 125.0 63.7 4.2 59.9 97 98 A V E -B 150 0B 28 53,-2.7 53,-2.6 -2,-0.4 2,-0.2 -0.978 22.8-140.9-132.3 122.2 63.7 1.9 56.8 98 99 A N E S+B 149 0B 115 -2,-0.4 51,-0.3 1,-0.2 50,-0.1 -0.580 93.2 9.6 -74.4 144.4 65.1 2.4 53.3 99 100 A N S S- 0 0 121 49,-3.5 -1,-0.2 -2,-0.2 49,-0.2 0.960 97.6-154.4 47.3 61.5 62.8 0.9 50.6 100 101 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.251 20.4 177.5 -70.5 151.5 60.1 0.3 53.1 101 102 A K >> - 0 0 114 1,-0.1 3,-1.6 49,-0.0 4,-0.6 -0.937 44.7 -94.2-143.9 167.4 57.4 -2.4 52.7 102 103 A Q G >4 S+ 0 0 96 39,-1.6 3,-1.8 -2,-0.3 4,-0.2 0.875 119.1 58.4 -50.2 -47.5 54.5 -3.6 54.8 103 104 A S G >4 S+ 0 0 66 1,-0.3 3,-0.9 38,-0.2 -1,-0.3 0.755 97.4 63.9 -58.6 -24.8 56.4 -6.4 56.5 104 105 A D G <4 S+ 0 0 49 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.786 106.8 41.5 -70.2 -25.4 58.9 -3.9 57.9 105 106 A F G X< S+ 0 0 1 -3,-1.8 3,-1.3 -4,-0.6 -1,-0.2 0.217 83.0 137.4-108.8 16.5 56.2 -2.2 60.0 106 107 A I T < + 0 0 116 -3,-0.9 26,-0.2 1,-0.2 3,-0.1 -0.345 68.9 14.2 -72.3 138.7 54.4 -5.2 61.3 107 108 A G T 3 S+ 0 0 64 24,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.566 104.3 103.2 79.7 9.4 53.3 -5.3 65.0 108 109 A K < - 0 0 91 -3,-1.3 2,-0.4 23,-0.1 -1,-0.2 -0.976 50.9-161.5-128.3 142.1 53.9 -1.6 65.5 109 110 A K + 0 0 88 -2,-0.4 46,-2.6 46,-0.2 2,-0.3 -0.945 38.7 66.0-123.8 140.9 51.4 1.2 65.7 110 111 A G E S-CD 129 154B 0 19,-2.6 19,-2.3 -2,-0.4 2,-0.6 -0.996 80.6 -12.3 158.0-147.9 51.7 5.0 65.4 111 112 A I E -CD 128 153B 0 42,-2.6 42,-2.5 -2,-0.3 2,-0.4 -0.791 56.9-164.4 -93.1 123.4 52.5 7.8 63.0 112 113 A I E -CD 127 152B 2 15,-2.6 15,-2.4 -2,-0.6 2,-0.4 -0.875 9.9-170.1-112.6 138.8 54.0 6.8 59.7 113 114 A V E -CD 126 151B 5 38,-2.8 38,-2.9 -2,-0.4 2,-0.5 -0.995 4.3-173.7-124.0 126.9 55.8 8.9 57.1 114 115 A V E -CD 125 150B 2 11,-2.6 11,-2.5 -2,-0.4 2,-0.4 -0.986 0.8-172.5-123.4 121.2 56.7 7.5 53.7 115 116 A K E +CD 124 149B 56 34,-2.7 33,-2.8 -2,-0.5 34,-2.4 -0.890 25.9 124.9-107.1 144.0 58.8 9.5 51.2 116 117 A G E - D 0 147B 1 7,-2.4 3,-0.3 -2,-0.4 2,-0.2 -0.967 49.8 -84.6-173.9-173.5 59.4 8.3 47.7 117 118 A H E S+ D 0 146B 85 29,-2.0 29,-2.9 -2,-0.3 3,-0.1 -0.666 81.5 66.3-109.4 166.7 59.1 9.2 44.0 118 119 A G S S+ 0 0 24 1,-0.4 2,-0.4 -2,-0.2 -1,-0.1 0.325 70.1 108.0 110.2 -6.4 56.3 9.0 41.4 119 120 A W - 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0 0 64 -4,-1.7 0, 0.0 -5,-0.2 0, 0.0 -0.493 56.7-159.4 -82.6 151.4 36.0 26.4 32.8 184 54 B K + 0 0 197 -2,-0.2 -1,-0.1 5,-0.0 -4,-0.0 0.846 59.8 97.9 -97.1 -41.0 32.5 25.1 33.5 185 55 B D > - 0 0 93 1,-0.1 4,-2.7 4,-0.1 5,-0.2 -0.239 67.1-140.9 -59.2 129.5 33.1 21.3 33.3 186 56 B D H > S+ 0 0 115 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.903 97.8 51.6 -58.2 -48.3 33.6 19.6 36.7 187 57 B V H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 114.7 42.9 -59.4 -44.7 36.3 17.1 35.7 188 58 B V H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.946 113.9 50.7 -65.7 -49.4 38.4 19.9 34.1 189 59 B K H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.912 112.6 46.9 -55.5 -46.2 37.9 22.3 37.0 190 60 B N H X S+ 0 0 83 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.894 110.5 53.6 -62.9 -40.4 38.9 19.7 39.5 191 61 B D H X S+ 0 0 107 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.932 109.9 46.5 -59.6 -44.5 41.9 18.8 37.4 192 62 B A H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.873 112.8 51.1 -68.7 -36.9 43.1 22.4 37.3 193 63 B R H X S+ 0 0 65 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.919 109.2 49.1 -63.4 -47.0 42.5 22.7 41.0 194 64 B A H X S+ 0 0 46 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.951 112.1 49.8 -57.4 -49.0 44.5 19.5 41.7 195 65 B T H X S+ 0 0 49 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.935 110.4 49.2 -55.5 -51.3 47.3 20.9 39.6 196 66 B A H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.927 107.0 55.9 -52.9 -47.5 47.3 24.2 41.4 197 67 B S H X S+ 0 0 14 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.880 102.7 56.9 -59.2 -37.2 47.4 22.4 44.8 198 68 B A H X S+ 0 0 7 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.930 108.2 46.2 -56.9 -45.5 50.5 20.7 43.6 199 69 B Y H < S+ 0 0 38 -4,-1.8 4,-0.4 -3,-0.3 -1,-0.2 0.827 111.1 52.1 -69.5 -29.0 52.2 24.0 43.0 200 70 B L H >< S+ 0 0 5 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.872 101.2 62.7 -70.5 -36.4 51.0 25.3 46.3 201 71 B E H 3< S+ 0 0 11 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.894 107.6 41.7 -54.7 -42.5 52.5 22.3 48.1 202 72 B Y T 3< S+ 0 0 30 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.478 95.9 104.7 -89.9 -2.0 56.0 23.2 47.0 203 73 B G < - 0 0 6 -3,-1.1 -3,-0.0 -4,-0.4 -37,-0.0 -0.348 57.6-155.4 -72.4 157.9 55.6 26.9 47.7 204 74 B K + 0 0 146 52,-0.2 2,-0.1 53,-0.2 -1,-0.1 0.372 62.0 107.0-107.9 -0.4 57.1 28.6 50.7 205 75 B Q S S- 0 0 0 1,-0.1 -2,-0.1 -5,-0.1 -140,-0.0 -0.438 74.8-107.2 -85.6 152.6 54.5 31.4 50.7 206 76 B S >> - 0 0 43 -2,-0.1 3,-1.2 1,-0.1 4,-0.5 -0.310 38.2-105.8 -67.6 161.2 51.6 32.0 53.1 207 77 B V H >> S+ 0 0 5 1,-0.3 4,-1.9 -141,-0.2 3,-0.7 0.769 110.4 74.3 -67.7 -26.1 48.1 31.3 51.8 208 78 B E H 3> S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.812 87.9 60.4 -58.1 -32.0 47.2 35.0 51.4 209 79 B I H <> S+ 0 0 23 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.896 105.3 48.6 -65.2 -37.1 49.4 35.4 48.4 210 80 B Y H X S+ 0 0 8 -4,-2.3 3,-1.2 1,-0.2 4,-0.5 0.943 111.8 53.1 -62.2 -47.7 43.7 39.5 40.1 217 87 B A H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 3,-2.1 0.882 102.0 60.1 -53.0 -43.7 42.6 36.3 38.3 218 88 B K H 3X S+ 0 0 100 -4,-2.6 4,-1.0 1,-0.3 -1,-0.3 0.797 95.4 63.8 -56.7 -31.1 39.0 37.3 39.1 219 89 B K H << S+ 0 0 143 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 0.751 112.9 33.6 -63.4 -21.0 39.8 40.5 37.1 220 90 B Y H X< S+ 0 0 45 -3,-2.1 3,-1.6 -4,-0.5 -2,-0.2 0.821 111.0 58.7-100.9 -36.9 40.3 38.3 34.0 221 91 B S H 3< S+ 0 0 31 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.682 102.8 57.4 -69.1 -18.5 37.8 35.5 34.5 222 92 B G T 3< S+ 0 0 64 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.1 0.491 84.2 109.9 -89.1 -4.8 35.0 38.1 34.6 223 93 B L < - 0 0 63 -3,-1.6 2,-0.7 11,-0.1 14,-0.1 -0.365 65.3-134.8 -70.9 146.6 35.7 39.5 31.2 224 94 B K - 0 0 111 -2,-0.1 2,-0.4 13,-0.0 9,-0.1 -0.937 25.4-170.4 -99.1 115.0 33.4 39.0 28.2 225 95 B Y - 0 0 50 -2,-0.7 2,-0.3 7,-0.6 6,-0.1 -0.852 5.0-177.0-103.5 139.8 35.5 38.0 25.1 226 96 B N + 0 0 141 -2,-0.4 2,-0.3 7,-0.1 6,-0.1 -0.914 6.8 167.5-133.0 160.2 34.0 37.8 21.6 227 97 B G - 0 0 48 2,-0.4 4,-0.1 -2,-0.3 -2,-0.0 -0.915 51.9 -89.5-154.1-176.4 35.1 36.9 18.1 228 98 B S S S+ 0 0 134 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.336 111.0 59.6 -85.1 6.5 34.0 36.2 14.6 229 99 B I S S- 0 0 116 2,-0.1 2,-0.6 0, 0.0 -2,-0.4 -0.920 103.8 -90.3-125.1 158.6 33.7 32.5 15.6 230 100 B S S S+ 0 0 133 -2,-0.3 2,-0.3 -4,-0.1 -2,-0.1 -0.574 75.4 106.3 -74.8 112.3 31.5 31.0 18.3 231 101 B S - 0 0 61 -2,-0.6 -4,-0.2 -4,-0.1 -2,-0.1 -0.920 62.6-138.3-173.1 153.9 33.4 30.9 21.7 232 102 B D - 0 0 107 -2,-0.3 -7,-0.6 -6,-0.1 -1,-0.1 0.543 40.6-141.4 -89.0 -11.6 33.6 32.5 25.1 233 103 B F > + 0 0 43 1,-0.1 4,-1.2 -9,-0.1 3,-0.2 0.855 42.3 158.0 51.8 42.0 37.4 32.3 24.7 234 104 B N H >> + 0 0 43 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.905 68.1 60.2 -59.5 -41.3 37.8 31.5 28.5 235 105 B T H 3> S+ 0 0 64 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.902 103.4 50.3 -54.8 -43.0 41.2 29.9 27.8 236 106 B X H 3> S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.788 100.4 62.5 -74.5 -23.0 42.5 33.2 26.5 237 107 B K H < S+ 0 0 63 -4,-2.9 3,-0.9 1,-0.2 4,-0.2 0.892 110.7 57.5 -64.0 -40.1 46.0 37.3 29.1 241 111 B F H >< S+ 0 0 0 -4,-2.2 3,-2.6 -5,-0.3 -2,-0.2 0.929 99.8 54.5 -58.7 -47.9 45.9 37.0 32.9 242 112 B I H 3< S+ 0 0 62 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.679 105.8 54.9 -66.3 -13.5 49.3 35.3 33.2 243 113 B H T << S+ 0 0 143 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.420 81.2 131.1 -89.4 -1.3 50.8 38.3 31.3 244 114 B D <> - 0 0 26 -3,-2.6 4,-1.8 -4,-0.2 5,-0.1 -0.224 54.2-146.2 -60.3 137.6 49.3 40.7 33.8 245 115 B R H > S+ 0 0 166 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.905 98.3 51.1 -73.8 -40.2 51.7 43.3 35.1 246 116 B E H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.883 107.7 53.4 -64.9 -39.3 50.2 43.4 38.6 247 117 B L H > S+ 0 0 3 -6,-0.2 4,-2.5 2,-0.2 5,-0.2 0.959 111.7 46.0 -56.0 -50.3 50.4 39.6 38.9 248 118 B N H X S+ 0 0 70 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.899 113.1 48.4 -60.8 -43.1 54.0 39.7 38.0 249 119 B E H X S+ 0 0 74 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.888 109.5 54.7 -63.4 -39.9 54.8 42.6 40.5 250 120 B L H < S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.932 112.2 42.3 -58.4 -50.4 52.9 40.8 43.2 251 121 B I H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.899 112.9 53.4 -65.7 -40.8 55.0 37.7 42.8 252 122 B K H 3< S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.855 110.8 45.4 -65.9 -34.2 58.2 39.7 42.5 253 123 B R T 3< S+ 0 0 163 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.282 81.1 142.8 -93.9 12.7 57.7 41.6 45.7 254 124 B R < - 0 0 39 -3,-1.2 -3,-0.1 -4,-0.1 3,-0.1 -0.215 48.0-145.1 -54.6 136.5 56.7 38.6 47.7 255 125 B V S S+ 0 0 140 1,-0.2 2,-1.1 2,-0.1 -1,-0.1 0.911 90.0 64.2 -69.0 -43.2 58.0 38.7 51.3 256 126 B E 0 0 64 1,-0.2 -52,-0.2 -50,-0.1 -1,-0.2 -0.712 360.0 360.0 -88.6 97.8 58.5 34.9 51.4 257 127 B K 0 0 135 -2,-1.1 -1,-0.2 -53,-0.1 -53,-0.2 0.943 360.0 360.0 -90.9 360.0 61.2 34.3 48.8