==== 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 HYDROLASE 11-JUL-05 2A9G . COMPND 2 MOLECULE: ARGININE DEIMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.GALKIN,X.LU,D.DUNAWAY-MARIANO,O.HERZBERG . 1622 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1150 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 10.4 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.2 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 . 5 0.3 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 . 109 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 212 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 422 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.7 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 18 0 0 1 4 9 6 9 1 6 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 1 11 4 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 PARALLEL BRIDGES PER LADDER . 4 4 9 10 7 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 . 2 12 2 6 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 6 A T 0 0 144 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.8 39.4 27.2 18.8 2 7 A K - 0 0 148 1,-0.1 166,-0.1 198,-0.1 200,-0.1 -0.431 360.0-100.3 -65.3 133.1 40.5 27.0 15.2 3 8 A L + 0 0 19 198,-0.3 398,-0.2 -2,-0.1 2,-0.2 -0.153 68.7 114.8 -51.8 145.0 39.3 30.0 13.2 4 9 A G E -a 401 0A 1 396,-2.5 398,-1.9 164,-0.1 2,-0.5 -0.609 54.6-125.2 156.3 149.8 36.2 29.5 11.1 5 10 A V E +a 402 0A 4 396,-0.3 162,-2.1 164,-0.2 398,-0.1 -0.953 22.7 175.8-116.1 115.8 32.5 30.4 10.5 6 11 A H - 0 0 58 396,-2.2 399,-0.3 -2,-0.5 2,-0.3 0.187 60.9 -11.2-109.7 21.2 30.0 27.5 10.4 7 12 A S - 0 0 0 397,-0.1 219,-0.2 3,-0.1 220,-0.2 -0.962 62.1-105.9 171.1-176.5 26.6 29.2 10.1 8 13 A E S S+ 0 0 6 218,-0.3 344,-0.6 -2,-0.3 272,-0.1 0.544 110.8 35.7-109.7 -13.4 24.7 32.5 10.2 9 14 A A S S+ 0 0 1 217,-0.2 348,-0.2 394,-0.1 274,-0.1 0.501 85.9 104.1-122.5 -7.5 23.0 31.9 13.6 10 15 A G S S- 0 0 1 393,-0.4 395,-0.1 1,-0.2 -3,-0.1 -0.243 88.9 -59.0 -74.8 168.4 25.3 30.0 16.0 11 16 A K - 0 0 48 393,-0.3 392,-2.7 391,-0.1 2,-0.7 -0.242 54.3-137.7 -51.4 124.6 27.1 31.4 18.9 12 17 A L E +B 402 0A 0 341,-2.3 390,-0.3 390,-0.2 3,-0.1 -0.787 28.8 171.8 -90.0 112.8 29.5 34.1 17.5 13 18 A R E + 0 0 121 388,-3.0 50,-3.2 -2,-0.7 2,-0.4 0.871 65.9 19.3 -90.3 -45.5 32.9 33.8 19.3 14 19 A K E +Bc 401 63A 34 387,-1.9 386,-3.0 48,-0.2 387,-2.0 -0.986 65.3 173.0-138.1 124.8 35.0 36.2 17.3 15 20 A V E -Bc 399 64A 0 48,-1.7 50,-3.9 -2,-0.4 2,-0.5 -0.945 22.0-140.6-128.2 149.5 34.0 39.2 15.0 16 21 A M E +Bc 398 65A 0 382,-2.2 382,-0.7 -2,-0.3 2,-0.3 -0.939 25.6 170.4-114.4 126.1 35.8 41.9 13.2 17 22 A V E - c 0 66A 0 48,-3.1 50,-2.6 -2,-0.5 2,-0.5 -0.875 22.1-143.6-127.2 158.7 34.3 45.4 13.1 18 23 A C - 0 0 0 139,-0.7 141,-0.1 378,-0.4 3,-0.1 -0.952 16.2-137.3-131.6 116.5 35.8 48.6 11.9 19 24 A S - 0 0 20 -2,-0.5 28,-0.1 1,-0.1 137,-0.1 -0.274 31.6 -95.1 -69.1 148.8 35.0 51.9 13.6 20 25 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.291 63.5 150.8 -54.5 150.7 34.2 55.1 11.7 21 26 A G >> - 0 0 2 -3,-0.1 4,-0.8 98,-0.1 3,-0.7 -0.620 56.2 -32.2-151.3-144.9 37.4 57.1 11.4 22 27 A L H 3> S+ 0 0 21 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.784 122.3 66.9 -57.1 -34.1 39.4 59.6 9.4 23 28 A A H >4 S+ 0 0 3 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.917 103.2 44.4 -56.3 -45.0 37.9 58.2 6.2 24 29 A H H X4 S+ 0 0 2 -3,-0.7 3,-1.2 1,-0.3 17,-0.4 0.704 103.9 63.3 -73.2 -21.9 34.5 59.5 7.2 25 30 A Q H 3< S+ 0 0 45 -4,-0.8 728,-0.4 -3,-0.3 -1,-0.3 0.738 101.0 56.4 -72.4 -19.3 36.0 62.8 8.3 26 31 A R T << S+ 0 0 40 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.404 79.7 115.5 -92.8 4.2 36.9 63.0 4.6 27 32 A L < - 0 0 3 -3,-1.2 726,-0.5 14,-0.1 13,-0.1 -0.481 42.2-179.9 -72.0 143.8 33.4 62.7 3.4 28 33 A T >> - 0 0 36 -2,-0.1 4,-2.3 1,-0.1 3,-1.2 -0.937 40.2-108.4-139.0 159.3 32.1 65.7 1.6 29 34 A P T 34 S+ 0 0 53 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.916 119.6 47.1 -58.2 -41.1 28.7 66.5 -0.1 30 35 A S T 34 S+ 0 0 110 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.534 122.6 35.1 -80.2 -3.8 30.1 66.3 -3.5 31 36 A N T <> S+ 0 0 28 -3,-1.2 4,-2.0 2,-0.1 3,-0.2 0.582 86.6 90.4-122.8 -9.3 32.0 63.1 -2.8 32 37 A C T <>S+ 0 0 6 -4,-2.3 5,-3.2 1,-0.2 7,-0.2 0.861 88.7 51.6 -57.5 -39.3 29.9 61.0 -0.5 33 38 A D T >45S+ 0 0 105 -4,-0.4 3,-1.4 3,-0.2 -1,-0.2 0.884 110.5 47.1 -63.1 -43.3 28.1 59.1 -3.3 34 39 A E T 345S+ 0 0 100 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.848 110.9 53.2 -68.7 -29.4 31.2 58.2 -5.1 35 40 A L T 3<5S- 0 0 13 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.299 124.8-109.6 -86.8 10.9 32.5 57.1 -1.6 36 41 A L T < 5S+ 0 0 12 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.778 76.1 126.9 66.2 33.7 29.3 55.0 -1.4 37 42 A F < - 0 0 0 -5,-3.2 352,-0.2 -6,-0.1 -1,-0.2 -0.959 61.7-137.1-123.8 141.3 27.5 57.0 1.3 38 43 A D S S- 0 0 67 350,-2.5 2,-0.3 -2,-0.4 351,-0.1 0.620 84.5 -31.7 -64.3 -17.6 24.0 58.5 1.3 39 44 A D S S- 0 0 45 349,-0.4 -1,-0.1 -7,-0.2 2,-0.1 -0.966 81.8 -62.8 176.0 171.7 25.4 61.6 2.9 40 45 A V - 0 0 6 -2,-0.3 2,-0.3 -3,-0.1 -15,-0.1 -0.379 54.5-146.1 -67.8 159.9 28.1 63.0 5.1 41 46 A I - 0 0 0 -17,-0.4 2,-1.1 -2,-0.1 3,-0.1 -0.811 22.9-106.0-124.6 166.2 27.8 61.7 8.7 42 47 A W > - 0 0 23 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.841 39.7-162.6 -90.2 95.5 28.5 63.2 12.1 43 48 A V H > S+ 0 0 4 -2,-1.1 4,-2.3 1,-0.2 5,-0.2 0.873 78.6 51.8 -53.2 -49.1 31.7 61.2 12.7 44 49 A N H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 112.6 44.7 -57.2 -46.7 32.0 61.6 16.5 45 50 A Q H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.898 111.0 55.8 -62.9 -39.8 28.5 60.5 17.2 46 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 105.2 51.6 -62.0 -34.8 29.0 57.7 14.8 47 52 A K H X S+ 0 0 62 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.930 110.9 48.9 -66.9 -38.9 32.1 56.5 16.7 48 53 A R H X S+ 0 0 122 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.954 112.2 47.4 -61.2 -47.8 29.9 56.6 19.8 49 54 A D H X S+ 0 0 16 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.854 114.3 47.6 -61.4 -37.5 27.2 54.6 18.1 50 55 A H H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.876 111.7 49.5 -71.8 -39.2 29.7 52.1 16.8 51 56 A F H X S+ 0 0 132 -4,-2.7 4,-3.7 2,-0.2 -2,-0.2 0.944 107.9 52.7 -64.8 -47.7 31.4 51.7 20.2 52 57 A D H X S+ 0 0 61 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.879 111.5 49.8 -52.6 -37.8 28.1 51.1 21.9 53 58 A F H X S+ 0 0 0 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.2 0.938 109.4 48.9 -67.6 -46.6 27.7 48.5 19.3 54 59 A V H >X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 3,-1.1 0.959 113.7 49.5 -55.3 -48.9 31.1 47.0 20.0 55 60 A T H 3< S+ 0 0 45 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 100.7 59.9 -58.6 -46.0 30.1 47.1 23.7 56 61 A K H 3< S+ 0 0 39 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.706 116.8 35.4 -61.8 -18.8 26.8 45.4 23.3 57 62 A M H X<>S+ 0 0 0 -3,-1.1 3,-1.8 -4,-1.0 5,-1.6 0.781 111.2 59.5-101.2 -32.6 28.7 42.4 21.9 58 63 A R T 3<5S+ 0 0 123 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.040 105.1 53.1 -83.9 29.2 31.8 42.6 24.0 59 64 A E T 3 5S+ 0 0 131 -3,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.211 97.7 63.7-139.2 0.6 29.6 42.2 27.0 60 65 A R T < 5S- 0 0 68 -3,-1.8 -2,-0.2 2,-0.2 3,-0.1 0.259 123.5-100.3-106.5 6.3 28.0 39.1 25.6 61 66 A G T 5S+ 0 0 69 1,-0.3 2,-0.3 -4,-0.1 -3,-0.2 0.433 79.6 139.3 88.3 1.5 31.4 37.3 25.8 62 67 A I < - 0 0 2 -5,-1.6 2,-1.1 1,-0.1 -1,-0.3 -0.643 55.1-130.8 -81.3 130.8 32.1 37.8 22.1 63 68 A D E -c 14 0A 66 -50,-3.2 -48,-1.7 -2,-0.3 2,-0.6 -0.780 26.9-163.4 -86.7 102.2 35.6 38.8 21.3 64 69 A V E -c 15 0A 1 -2,-1.1 2,-0.5 -50,-0.2 -48,-0.2 -0.821 2.2-156.2 -89.6 120.9 35.2 41.8 19.0 65 70 A L E -c 16 0A 19 -50,-3.9 -48,-3.1 -2,-0.6 2,-0.5 -0.858 6.3-146.4-101.7 128.7 38.2 42.7 17.0 66 71 A E E > -c 17 0A 20 -2,-0.5 4,-1.9 -50,-0.2 -48,-0.2 -0.836 9.4-139.3 -98.6 127.8 38.5 46.3 15.7 67 72 A M H > S+ 0 0 2 -50,-2.6 4,-2.9 -2,-0.5 5,-0.2 0.867 98.9 52.4 -54.1 -44.4 40.2 46.8 12.4 68 73 A H H > S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.948 110.6 48.0 -60.6 -45.7 42.2 50.0 13.3 69 74 A N H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.856 114.0 48.9 -61.6 -33.5 43.7 48.3 16.5 70 75 A L H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.927 111.9 45.4 -73.6 -45.8 44.6 45.3 14.3 71 76 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-1.0 0.995 112.3 55.0 -56.9 -57.4 46.2 47.2 11.5 72 77 A T H 3X S+ 0 0 3 -4,-2.9 4,-1.1 1,-0.3 -2,-0.2 0.821 112.2 40.5 -40.2 -50.2 48.1 49.2 14.2 73 78 A E H 3< S+ 0 0 95 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.766 114.3 56.6 -72.1 -26.2 49.5 46.1 15.9 74 79 A T H X< S+ 0 0 2 -4,-1.8 3,-0.7 -3,-1.0 -2,-0.2 0.885 108.5 43.1 -75.7 -39.1 50.1 44.7 12.5 75 80 A I H 3< S+ 0 0 6 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.686 92.5 79.1 -82.5 -16.5 52.3 47.6 11.2 76 81 A Q T 3< S+ 0 0 116 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.843 81.7 85.2 -56.6 -22.7 54.2 47.9 14.5 77 82 A N S <> S- 0 0 62 -3,-0.7 4,-2.0 -4,-0.4 5,-0.3 -0.699 79.5-147.5 -81.7 110.0 56.0 44.8 12.8 78 83 A P H > S+ 0 0 105 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.817 96.8 47.6 -43.6 -47.3 58.7 46.2 10.5 79 84 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.950 111.3 50.6 -61.1 -53.1 58.3 43.4 8.0 80 85 A A H > S+ 0 0 0 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.812 110.8 48.5 -56.9 -36.1 54.5 43.7 7.9 81 86 A L H X S+ 0 0 24 -4,-2.0 4,-1.6 -6,-0.3 5,-0.3 0.806 108.0 55.4 -77.2 -28.1 54.7 47.4 7.3 82 87 A K H X S+ 0 0 110 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.915 104.2 56.5 -67.7 -39.9 57.2 46.8 4.5 83 88 A W H < S+ 0 0 35 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.773 109.9 41.5 -61.6 -34.8 54.7 44.5 2.8 84 89 A I H >X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 3,-1.0 0.947 116.0 44.3 -82.4 -54.6 51.8 46.9 2.6 85 90 A L H 3X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.3 -2,-0.2 0.885 106.6 62.4 -60.4 -38.8 53.6 50.1 1.5 86 91 A D H 3< S+ 0 0 63 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.830 118.5 29.5 -55.1 -32.1 55.6 48.1 -1.0 87 92 A R H <4 S+ 0 0 95 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.615 125.8 44.5-103.6 -15.7 52.3 47.3 -2.7 88 93 A K H < S+ 0 0 4 -4,-2.1 2,-0.8 1,-0.2 -3,-0.2 0.897 104.4 57.8 -96.2 -47.7 50.3 50.4 -1.8 89 94 A I S < S+ 0 0 14 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 -0.722 79.9 133.2 -85.6 107.0 52.7 53.3 -2.5 90 95 A T S >>>S- 0 0 45 -2,-0.8 4,-2.1 -3,-0.1 5,-1.4 -0.946 70.4 -92.4-150.7 172.9 53.7 53.0 -6.2 91 96 A A T 345S+ 0 0 37 -2,-0.3 5,-0.4 1,-0.3 1375,-0.2 0.769 123.0 46.6 -58.7 -27.1 54.3 54.7 -9.5 92 97 A D T 345S+ 0 0 22 3,-0.1 1343,-0.6 2,-0.1 -1,-0.3 0.627 122.1 31.5 -94.2 -11.2 50.7 53.9 -10.6 93 98 A S T <45S+ 0 0 22 -3,-1.1 -2,-0.2 1341,-0.1 1369,-0.1 0.821 132.0 18.1-107.0 -49.5 48.9 54.9 -7.4 94 99 A V T <5S- 0 0 0 -4,-2.1 -3,-0.2 -6,-0.1 3,-0.1 0.851 104.9-102.6 -94.7 -46.5 50.8 57.8 -5.8 95 100 A G >>< - 0 0 5 -5,-1.4 4,-2.6 1,-0.1 3,-2.3 -0.064 20.6-104.7 121.5 135.2 53.0 59.3 -8.5 96 101 A L T 34 S+ 0 0 41 -5,-0.4 4,-0.2 1,-0.3 -1,-0.1 0.666 120.1 57.7 -66.4 -12.5 56.7 59.0 -9.1 97 102 A G T 34 S+ 0 0 19 -6,-0.1 -1,-0.3 -3,-0.1 35,-0.1 0.427 118.6 28.6 -94.0 0.5 57.2 62.5 -7.8 98 103 A L T <> S+ 0 0 6 -3,-2.3 4,-2.5 34,-0.1 5,-0.3 0.635 89.2 89.8-130.5 -28.2 55.6 61.6 -4.4 99 104 A T H X S+ 0 0 38 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.813 91.1 52.5 -41.6 -41.6 56.1 57.9 -3.6 100 105 A S H > S+ 0 0 78 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.952 115.9 35.5 -63.5 -55.0 59.4 58.7 -1.8 101 106 A E H > S+ 0 0 43 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.896 114.1 55.7 -68.9 -44.1 58.2 61.4 0.6 102 107 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.975 113.7 42.7 -52.1 -56.7 54.8 60.0 1.2 103 108 A R H X S+ 0 0 56 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.846 113.0 53.9 -58.1 -38.5 56.4 56.7 2.4 104 109 A S H X S+ 0 0 79 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.991 112.1 42.0 -59.1 -63.2 59.1 58.6 4.3 105 110 A W H >X S+ 0 0 34 -4,-2.9 4,-1.6 1,-0.2 3,-1.2 0.918 115.5 50.5 -51.6 -49.6 56.6 60.7 6.4 106 111 A L H >< S+ 0 0 0 -4,-2.7 3,-0.5 -5,-0.3 -1,-0.2 0.932 108.7 51.2 -56.1 -47.1 54.3 57.7 6.9 107 112 A E H 3< S+ 0 0 96 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.628 107.3 56.6 -66.4 -10.1 57.3 55.5 8.1 108 113 A S H << S+ 0 0 86 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.835 91.2 98.3 -85.9 -35.1 58.0 58.4 10.5 109 114 A L S << S- 0 0 32 -4,-1.6 -3,-0.0 -3,-0.5 -4,-0.0 0.006 85.9 -99.8 -56.4 150.3 54.5 58.2 12.0 110 115 A E >> - 0 0 142 1,-0.1 4,-2.2 4,-0.1 3,-2.2 -0.518 43.9-108.9 -69.0 138.1 53.5 56.5 15.3 111 116 A P H 3> S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.793 116.1 52.8 -35.4 -48.0 52.0 53.1 14.4 112 117 A R H 3> S+ 0 0 137 1,-0.2 4,-0.6 2,-0.2 -40,-0.1 0.752 111.9 42.5 -68.6 -25.7 48.5 54.2 15.4 113 118 A K H <> S+ 0 0 108 -3,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.794 111.9 55.8 -88.5 -26.5 48.4 57.4 13.2 114 119 A L H >X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 3,-1.0 0.980 109.4 45.9 -63.3 -54.4 50.0 55.5 10.4 115 120 A A H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.785 108.9 57.3 -57.3 -29.8 47.2 53.0 10.5 116 121 A E H 3X S+ 0 0 61 -4,-0.6 4,-2.2 -5,-0.2 -1,-0.3 0.844 109.4 44.9 -70.8 -31.2 44.7 55.9 10.8 117 122 A Y H > - 0 0 3 -2,-0.4 3,-2.4 25,-0.2 4,-0.5 -0.649 30.3-115.3-100.0 153.7 46.0 64.5 1.4 124 129 A A G >4 S+ 0 0 2 23,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.901 116.5 59.4 -51.9 -44.3 48.7 66.6 -0.1 125 130 A D G 34 S+ 0 0 71 1,-0.3 -1,-0.3 9,-0.0 4,-0.1 0.487 95.0 65.6 -67.1 -1.5 48.3 69.0 2.7 126 131 A D G <4 S+ 0 0 41 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.673 88.2 77.4 -94.8 -14.2 49.2 66.3 5.2 127 132 A L S << S- 0 0 14 -3,-1.6 3,-0.1 -4,-0.5 -25,-0.1 -0.449 94.5 -92.6 -88.9 165.7 52.7 65.7 4.0 128 133 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.199 66.5 -68.4 -65.1 169.7 55.6 68.0 4.9 129 134 A A + 0 0 96 -3,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.397 69.6 142.9 -69.2 136.6 56.3 70.8 2.3 130 135 A S > - 0 0 25 -2,-0.1 4,-0.8 -3,-0.1 5,-0.1 -0.925 56.6-119.2-159.1 162.2 57.6 69.8 -1.1 131 136 A E H > S+ 0 0 79 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.774 114.0 60.8 -82.0 -25.4 56.9 71.1 -4.6 132 137 A G H > S+ 0 0 9 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.923 110.8 39.3 -63.4 -42.5 55.6 67.7 -5.6 133 138 A A H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.666 110.8 59.8 -81.4 -19.1 52.9 68.0 -2.9 134 139 A N H X S+ 0 0 73 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.860 98.6 55.5 -79.6 -33.9 52.2 71.7 -3.5 135 140 A I H X S+ 0 0 27 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.864 105.2 54.9 -65.2 -33.1 51.2 71.3 -7.1 136 141 A L H X S+ 0 0 1 -4,-0.7 4,-3.2 2,-0.3 5,-0.3 0.982 104.9 50.8 -61.0 -56.2 48.5 68.8 -6.0 137 142 A K H X S+ 0 0 63 -4,-1.4 4,-1.5 1,-0.3 -1,-0.2 0.866 115.3 47.7 -44.6 -38.1 47.1 71.3 -3.6 138 143 A M H X S+ 0 0 57 -4,-1.6 4,-1.9 2,-0.2 5,-0.4 0.862 108.5 49.8 -72.8 -42.2 47.2 73.4 -6.8 139 144 A Y H X>S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 5,-1.1 0.921 112.5 50.6 -64.7 -42.3 45.6 70.9 -9.2 140 145 A R H <5S+ 0 0 60 -4,-3.2 4,-0.3 4,-0.3 -1,-0.2 0.879 120.7 30.1 -63.0 -44.6 42.8 70.4 -6.7 141 146 A E H <5S+ 0 0 144 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.959 123.4 46.1 -79.0 -59.3 41.9 74.0 -6.1 142 147 A Y H <5S+ 0 0 119 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.822 138.0 7.1 -53.5 -37.3 42.8 75.4 -9.5 143 148 A L T <5S- 0 0 13 -4,-2.0 1344,-2.2 -5,-0.4 -3,-0.2 0.614 98.0-110.7-124.6 -19.9 41.1 72.6 -11.4 144 149 A G < + 0 0 36 -5,-1.1 -4,-0.3 -4,-0.3 2,-0.2 0.883 61.4 149.0 88.6 40.4 39.1 70.4 -9.0 145 150 A H - 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0 0 51 -2,-0.8 4,-2.7 -3,-0.1 3,-1.1 -0.903 69.5-100.7-140.1 166.1 -12.0 68.8 -8.0 498 96 B A T 345S+ 0 0 33 -2,-0.3 5,-0.3 1,-0.3 6,-0.1 0.788 122.5 54.7 -59.2 -26.6 -12.4 66.7 -11.1 499 97 B D T 345S+ 0 0 22 3,-0.2 531,-0.7 2,-0.1 -1,-0.3 0.708 116.6 33.1 -81.7 -21.2 -8.9 67.9 -12.1 500 98 B S T <45S+ 0 0 27 -3,-1.1 -2,-0.2 529,-0.1 -1,-0.1 0.837 136.3 16.6 -99.6 -43.7 -7.2 66.8 -8.9 501 99 B V T <5S- 0 0 0 -4,-2.7 -3,-0.2 556,-0.1 4,-0.1 0.727 106.6-110.1-104.6 -26.6 -9.1 63.7 -7.8 502 100 B G >>< - 0 0 2 -5,-1.0 4,-1.4 1,-0.1 3,-1.3 0.121 25.5 -92.3 101.0 140.6 -10.9 62.6 -10.9 503 101 B L T 34 S+ 0 0 25 -5,-0.3 4,-0.5 1,-0.3 3,-0.2 0.838 121.0 57.9 -52.4 -42.9 -14.7 62.7 -11.8 504 102 B G T 34 S+ 0 0 23 1,-0.2 -1,-0.3 -6,-0.1 4,-0.2 0.763 117.2 29.2 -64.4 -27.5 -15.2 59.2 -10.6 505 103 B L T <> S+ 0 0 9 -3,-1.3 4,-2.4 -4,-0.1 5,-0.3 0.488 89.2 94.0-114.3 -2.0 -13.9 59.8 -7.0 506 104 B T H X S+ 0 0 36 -4,-1.4 4,-1.7 -3,-0.2 5,-0.1 0.879 90.6 44.6 -59.8 -42.1 -14.6 63.4 -6.1 507 105 B S H > S+ 0 0 84 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.946 114.6 47.8 -66.4 -51.0 -18.0 62.8 -4.4 508 106 B E H > S+ 0 0 55 -4,-0.2 4,-3.0 1,-0.2 5,-0.2 0.930 111.1 50.5 -55.1 -52.2 -16.8 59.8 -2.4 509 107 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.922 112.1 48.0 -54.5 -48.8 -13.7 61.4 -1.2 510 108 B R H X S+ 0 0 48 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.932 111.8 46.5 -63.1 -49.0 -15.5 64.5 -0.1 511 109 B S H X S+ 0 0 71 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.975 113.6 51.2 -57.6 -49.1 -18.3 62.7 1.8 512 110 B W H >< S+ 0 0 36 -4,-3.0 3,-1.4 -5,-0.2 4,-0.3 0.931 112.2 44.6 -53.0 -52.2 -15.7 60.4 3.4 513 111 B L H >< S+ 0 0 0 -4,-2.8 3,-3.3 1,-0.3 -1,-0.2 0.958 107.8 57.4 -55.5 -55.1 -13.6 63.3 4.6 514 112 B E H 3< S+ 0 0 96 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.551 101.9 59.3 -54.6 -11.0 -16.5 65.3 5.8 515 113 B S T << S+ 0 0 87 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.478 90.1 94.7 -95.8 -8.4 -17.4 62.4 8.1 516 114 B L S < S- 0 0 40 -3,-3.3 -3,-0.0 -4,-0.3 3,-0.0 -0.458 86.6 -94.2 -88.1 158.5 -14.1 62.4 9.9 517 115 B E >> - 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