==== 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 18-DEC-03 1RXX . COMPND 2 MOLECULE: ARGININE DEIMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.GALKIN,L.KULAKOVA,E.SARIKAYA,K.LIM,A.HOWARD,O.HERZBERG,STR . 1626 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1140 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.6 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 . 4 0.2 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 . 132 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 26.3 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 20 0 0 1 8 6 5 4 1 11 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 8 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 3 10 10 8 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 . 3 12 1 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 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 0 139 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 146.6 -13.8 -34.3 43.1 2 7 A K - 0 0 170 1,-0.1 200,-0.1 198,-0.0 166,-0.1 -0.295 360.0-103.2 -59.0 140.4 -14.6 -34.8 46.9 3 8 A L S S+ 0 0 18 198,-0.3 402,-0.2 402,-0.1 2,-0.1 -0.218 70.3 105.8 -58.9 154.5 -14.5 -31.7 49.2 4 9 A G E -a 405 0A 0 400,-2.2 402,-2.0 164,-0.1 2,-0.5 -0.440 59.3-122.9 140.4 145.5 -11.3 -31.6 51.3 5 10 A V E +a 406 0A 3 400,-0.2 162,-2.6 164,-0.2 402,-0.2 -0.967 24.7 175.0-119.2 116.5 -7.9 -29.9 51.8 6 11 A H - 0 0 62 400,-2.7 403,-0.4 -2,-0.5 222,-0.3 0.384 61.7 -5.6-109.5 7.2 -4.9 -32.3 51.8 7 12 A S - 0 0 1 401,-0.2 219,-0.2 399,-0.1 220,-0.2 -0.936 63.7-110.6-175.2-177.9 -1.8 -30.0 52.0 8 13 A E S S+ 0 0 12 218,-0.3 348,-0.3 -2,-0.3 218,-0.1 0.678 113.5 35.4-101.8 -25.5 -0.8 -26.3 51.9 9 14 A A S S+ 0 0 2 217,-0.2 352,-0.2 273,-0.1 3,-0.1 0.474 87.4 112.7-109.5 -6.4 0.9 -26.4 48.5 10 15 A G S S- 0 0 1 397,-0.3 2,-0.3 348,-0.2 399,-0.1 -0.069 87.0 -66.9 -61.1 171.3 -1.2 -28.9 46.4 11 16 A K - 0 0 95 397,-0.3 396,-2.0 347,-0.1 2,-0.5 -0.451 50.9-134.0 -64.3 121.3 -3.2 -27.6 43.5 12 17 A L E +B 406 0A 8 345,-2.7 394,-0.2 -2,-0.3 3,-0.1 -0.648 32.4 169.1 -77.1 125.2 -6.0 -25.4 44.8 13 18 A R E + 0 0 115 392,-3.7 50,-2.4 -2,-0.5 2,-0.3 0.731 63.8 18.6-105.3 -33.9 -9.2 -26.4 43.0 14 19 A K E +Bc 405 63A 34 391,-1.7 390,-2.7 48,-0.2 391,-1.5 -0.995 64.9 171.8-145.7 135.1 -11.8 -24.6 45.0 15 20 A V E -Bc 403 64A 0 48,-2.2 50,-4.2 -2,-0.3 2,-0.4 -0.999 22.2-141.3-145.2 150.4 -11.8 -21.6 47.3 16 21 A X E +Bc 402 65A 2 386,-2.1 386,-1.9 -2,-0.3 2,-0.3 -0.887 27.1 163.2-109.5 137.4 -14.0 -19.2 49.2 17 22 A V E - c 0 66A 0 48,-2.5 50,-2.9 -2,-0.4 2,-0.4 -0.871 25.0-139.5-139.6 170.2 -13.2 -15.6 49.6 18 23 A C - 0 0 0 139,-0.6 141,-0.1 382,-0.3 48,-0.1 -0.958 14.7-131.3-143.0 126.0 -15.2 -12.6 50.5 19 24 A S - 0 0 21 -2,-0.4 28,-0.1 1,-0.1 137,-0.1 -0.445 28.2-108.6 -73.4 142.2 -15.1 -9.2 49.0 20 25 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.335 62.3 135.4 -59.9 153.4 -14.9 -6.1 51.2 21 26 A G >> - 0 0 10 98,-0.1 4,-1.4 -3,-0.1 3,-0.8 -0.665 58.7 -10.2-164.9-140.8 -18.3 -4.3 51.0 22 27 A L H 3> S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.873 121.6 63.8 -47.7 -42.2 -21.0 -2.5 53.0 23 28 A A H >4 S+ 0 0 2 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.920 106.9 43.7 -50.4 -45.4 -19.4 -3.6 56.3 24 29 A H H X4 S+ 0 0 1 -3,-0.8 3,-1.5 1,-0.2 -1,-0.3 0.780 101.6 66.2 -73.2 -26.0 -16.4 -1.5 55.5 25 30 A Q H 3< S+ 0 0 52 -4,-1.4 730,-0.4 -3,-0.4 -1,-0.2 0.792 100.6 54.3 -66.1 -23.6 -18.4 1.4 54.2 26 31 A R T << S+ 0 0 37 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.520 82.2 116.3 -87.6 -5.2 -19.5 1.7 57.9 27 32 A L < + 0 0 1 -3,-1.5 728,-0.5 -4,-0.2 723,-0.1 -0.303 38.0 175.8 -65.7 150.0 -15.9 1.9 59.3 28 33 A T >> - 0 0 21 726,-0.1 4,-1.5 1,-0.1 3,-0.7 -0.964 44.8-108.1-149.4 153.3 -15.0 5.0 61.1 29 34 A P T 34 S+ 0 0 49 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.857 120.4 45.6 -59.4 -28.3 -11.8 6.0 63.0 30 35 A S T 34 S+ 0 0 68 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.706 115.5 41.5 -90.4 -16.0 -13.7 5.8 66.2 31 36 A N T <> S+ 0 0 15 -3,-0.7 4,-1.3 2,-0.1 -1,-0.2 0.484 90.2 94.6-103.6 -2.6 -15.6 2.5 65.7 32 37 A C T ><>S+ 0 0 5 -4,-1.5 5,-1.7 1,-0.2 3,-0.8 0.924 84.8 44.0 -46.2 -64.3 -12.6 0.7 64.2 33 38 A D G >45S+ 0 0 128 -4,-0.4 3,-1.9 1,-0.3 -1,-0.2 0.884 112.2 52.6 -54.5 -43.4 -11.3 -0.9 67.3 34 39 A E G 345S+ 0 0 118 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.747 107.7 51.8 -70.5 -20.1 -14.7 -2.0 68.5 35 40 A L G <<5S- 0 0 21 -4,-1.3 -1,-0.3 -3,-0.8 120,-0.2 0.166 114.3-120.6 -97.4 19.0 -15.4 -3.6 65.1 36 41 A L T < 5S+ 0 0 52 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.890 70.3 127.9 45.7 51.9 -12.0 -5.5 65.5 37 42 A F < - 0 0 19 -5,-1.7 -2,-0.2 -6,-0.1 -1,-0.2 -0.998 61.5-130.4-139.0 138.2 -10.6 -4.0 62.4 38 43 A D S S- 0 0 93 -2,-0.4 2,-0.3 1,-0.1 -5,-0.1 0.825 72.0 -28.4 -57.5 -42.9 -7.2 -2.2 61.9 39 44 A D - 0 0 85 -7,-0.1 2,-0.4 -6,-0.0 -1,-0.1 -0.991 69.5 -75.0-166.9 170.7 -8.2 1.0 60.0 40 45 A V - 0 0 3 -2,-0.3 2,-0.3 -3,-0.1 -15,-0.1 -0.639 50.7-161.6 -76.2 128.6 -10.6 2.7 57.6 41 46 A I - 0 0 3 -2,-0.4 2,-1.3 -17,-0.2 714,-0.1 -0.756 30.8-104.2-111.9 158.6 -10.0 1.6 54.1 42 47 A W > - 0 0 23 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.700 41.2-163.3 -78.7 97.7 -10.9 3.1 50.7 43 48 A V H > S+ 0 0 1 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 0.899 79.0 50.8 -55.3 -49.4 -13.7 0.6 50.0 44 49 A N H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 114.7 45.1 -61.8 -35.2 -14.3 1.1 46.3 45 50 A Q H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 110.4 54.6 -72.7 -36.4 -10.6 0.6 45.6 46 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 107.6 51.4 -61.9 -41.4 -10.4 -2.4 48.0 47 52 A K H X S+ 0 0 80 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.917 107.6 51.0 -64.2 -42.5 -13.2 -4.0 46.0 48 53 A R H X S+ 0 0 46 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.908 113.6 45.5 -63.3 -37.1 -11.3 -3.4 42.7 49 54 A D H X S+ 0 0 17 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.883 110.0 53.6 -74.2 -35.8 -8.2 -5.0 44.1 50 55 A H H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.943 108.5 50.5 -62.6 -44.0 -10.1 -7.9 45.6 51 56 A F H X S+ 0 0 27 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.808 107.7 52.4 -63.2 -30.7 -11.6 -8.5 42.2 52 57 A D H X S+ 0 0 31 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.902 110.5 49.4 -71.1 -36.3 -8.2 -8.5 40.6 53 58 A F H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.957 114.4 43.5 -63.4 -52.6 -7.2 -11.1 43.2 54 59 A V H >X S+ 0 0 5 -4,-2.8 4,-2.8 1,-0.2 3,-1.3 0.959 114.2 51.2 -58.9 -50.3 -10.2 -13.2 42.5 55 60 A T H 3X S+ 0 0 21 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.869 105.0 56.4 -60.5 -35.3 -9.8 -12.8 38.7 56 61 A K H 3< S+ 0 0 55 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.768 112.7 40.8 -69.0 -23.2 -6.2 -13.8 38.9 57 62 A X H X<>S+ 0 0 0 -3,-1.3 3,-1.4 -4,-1.1 5,-1.4 0.886 115.1 49.8 -88.3 -45.3 -7.1 -17.2 40.5 58 63 A R H ><5S+ 0 0 97 -4,-2.8 3,-3.2 1,-0.3 -2,-0.2 0.934 102.0 62.5 -56.1 -47.5 -10.1 -17.9 38.4 59 64 A E T 3<5S+ 0 0 120 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.706 100.3 57.0 -53.4 -19.8 -8.1 -17.2 35.2 60 65 A R T < 5S- 0 0 70 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.201 127.8 -95.8 -98.2 16.8 -6.0 -20.1 36.2 61 66 A G T < 5S+ 0 0 48 -3,-3.2 -3,-0.2 1,-0.3 2,-0.2 0.263 78.3 139.8 93.1 -13.0 -8.9 -22.6 36.4 62 67 A I < - 0 0 13 -5,-1.4 2,-0.6 1,-0.1 -1,-0.3 -0.441 54.1-129.5 -69.3 130.4 -9.6 -22.3 40.1 63 68 A D E -c 14 0A 70 -50,-2.4 -48,-2.2 -2,-0.2 2,-0.6 -0.737 29.3-166.7 -80.1 124.2 -13.3 -22.3 41.1 64 69 A V E -c 15 0A 2 -2,-0.6 2,-0.5 -50,-0.2 -48,-0.2 -0.948 5.6-155.9-118.6 111.3 -13.5 -19.2 43.4 65 70 A L E -c 16 0A 13 -50,-4.2 -48,-2.5 -2,-0.6 2,-0.6 -0.753 6.8-146.0 -93.2 130.1 -16.6 -18.9 45.5 66 71 A E E >> -c 17 0A 20 -2,-0.5 4,-2.4 -50,-0.2 3,-1.1 -0.836 11.3-139.7 -92.4 121.4 -17.6 -15.4 46.7 67 72 A X H 3> S+ 0 0 3 -50,-2.9 4,-2.9 -2,-0.6 5,-0.2 0.833 102.2 55.2 -51.3 -36.3 -19.3 -15.4 50.1 68 73 A H H 3> S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.854 109.3 47.4 -66.1 -34.7 -21.8 -12.8 49.0 69 74 A N H <> S+ 0 0 68 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.953 113.1 47.3 -69.2 -49.0 -22.8 -14.9 46.1 70 75 A L H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.933 113.6 48.2 -57.8 -49.0 -23.1 -18.1 48.2 71 76 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.820 108.8 52.7 -63.3 -35.0 -25.1 -16.3 50.9 72 77 A T H < S+ 0 0 16 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.881 113.1 45.7 -68.9 -36.2 -27.5 -14.7 48.4 73 78 A E H >< S+ 0 0 106 -4,-2.0 3,-1.7 2,-0.2 4,-0.4 0.954 112.2 51.5 -69.2 -49.5 -28.2 -18.1 47.0 74 79 A T H >< S+ 0 0 2 -4,-3.0 3,-2.9 1,-0.3 6,-0.3 0.945 104.2 54.9 -52.4 -55.9 -28.6 -19.7 50.4 75 80 A I T 3< S+ 0 0 11 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.496 89.7 75.4 -65.0 1.8 -31.1 -17.3 51.7 76 81 A Q T < S+ 0 0 115 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.694 79.8 83.7 -83.1 -16.4 -33.4 -17.9 48.8 77 82 A N S X> S- 0 0 57 -3,-2.9 4,-1.9 -4,-0.4 3,-0.8 -0.772 80.4-147.6 -84.2 117.4 -34.1 -21.1 50.6 78 83 A P H 3> S+ 0 0 106 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.856 95.6 53.6 -55.6 -39.1 -36.8 -20.1 53.1 79 84 A E H 3> S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.822 108.6 50.0 -68.8 -27.7 -35.7 -22.6 55.7 80 85 A A H <> S+ 0 0 0 -3,-0.8 4,-2.1 -6,-0.3 -1,-0.2 0.873 109.1 49.7 -80.8 -34.8 -32.2 -21.3 55.6 81 86 A L H X S+ 0 0 23 -4,-1.9 4,-3.4 -7,-0.2 5,-0.3 0.979 113.4 48.1 -63.6 -52.2 -33.1 -17.6 56.0 82 87 A K H X S+ 0 0 117 -4,-2.2 4,-2.9 1,-0.3 5,-0.3 0.888 108.7 52.9 -53.7 -46.0 -35.3 -18.6 59.0 83 88 A W H X S+ 0 0 30 -4,-1.9 4,-1.0 1,-0.2 -1,-0.3 0.915 114.9 43.2 -57.5 -42.5 -32.5 -20.7 60.4 84 89 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.953 116.9 43.5 -69.0 -52.6 -30.2 -17.6 60.1 85 90 A L H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.806 105.4 63.0 -66.6 -29.8 -32.7 -15.0 61.4 86 91 A D H < S+ 0 0 60 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.903 115.3 34.1 -59.8 -38.1 -33.9 -17.2 64.3 87 92 A R H < S+ 0 0 81 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.687 122.1 44.4 -90.1 -20.0 -30.3 -17.0 65.6 88 93 A K H < S+ 0 0 5 -4,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.769 106.9 56.5-100.0 -25.3 -29.3 -13.5 64.6 89 94 A I S < S+ 0 0 11 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 -0.856 70.8 130.0-113.6 101.9 -32.4 -11.5 65.6 90 95 A T >> - 0 0 49 -2,-0.6 4,-3.0 -3,-0.1 5,-1.0 -0.872 69.6-100.2-140.9 172.5 -33.5 -11.8 69.2 91 96 A A H >5S+ 0 0 45 -2,-0.3 4,-0.7 1,-0.2 5,-0.3 0.893 123.1 51.6 -65.3 -33.4 -34.5 -9.7 72.2 92 97 A D H 45S+ 0 0 162 1,-0.1 -1,-0.2 2,-0.1 4,-0.0 0.886 118.4 33.8 -71.2 -33.2 -30.9 -10.2 73.5 93 98 A S H 45S+ 0 0 64 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.898 137.1 15.8 -89.6 -37.2 -29.2 -9.1 70.3 94 99 A V H <5S- 0 0 14 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.1 0.719 107.1-101.9-110.6 -22.5 -31.5 -6.5 69.0 95 100 A G >X< - 0 0 29 -5,-1.0 3,-1.9 -4,-0.7 4,-1.3 0.051 32.1 -88.4 106.0 141.0 -33.8 -5.4 71.8 96 101 A L T 34 S+ 0 0 150 1,-0.3 4,-0.3 -5,-0.3 -1,-0.1 0.776 121.8 48.6 -48.4 -38.4 -37.4 -6.2 72.6 97 102 A G T 34 S+ 0 0 55 1,-0.2 -1,-0.3 -6,-0.1 35,-0.1 0.162 111.6 45.7 -97.8 20.8 -38.9 -3.4 70.6 98 103 A L T <> S+ 0 0 13 -3,-1.9 4,-2.6 3,-0.1 5,-0.3 0.575 83.6 88.0-130.9 -20.0 -37.0 -3.9 67.4 99 104 A T H X S+ 0 0 36 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.896 92.7 41.1 -51.0 -55.4 -37.1 -7.6 66.6 100 105 A S H > S+ 0 0 85 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.947 117.0 44.7 -66.8 -47.8 -40.3 -7.7 64.7 101 106 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 117.0 47.7 -63.4 -37.2 -39.9 -4.6 62.6 102 107 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.913 113.1 46.9 -68.9 -40.1 -36.3 -5.5 61.8 103 108 A R H X S+ 0 0 50 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.915 112.5 50.9 -68.6 -38.8 -37.2 -9.1 60.9 104 109 A S H X S+ 0 0 76 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.920 110.5 47.5 -66.4 -40.1 -40.0 -7.9 58.7 105 110 A W H >< S+ 0 0 30 -4,-2.3 3,-0.9 -5,-0.2 4,-0.3 0.939 112.9 49.1 -65.0 -45.7 -37.9 -5.4 56.8 106 111 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.3 -2,-0.2 0.959 109.1 51.0 -58.2 -50.5 -35.2 -7.9 56.2 107 112 A E H 3< S+ 0 0 98 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.653 105.5 59.3 -63.1 -13.8 -37.5 -10.6 55.0 108 113 A S T << S+ 0 0 88 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.408 89.5 100.2 -94.5 1.3 -39.0 -8.0 52.6 109 114 A L S < S- 0 0 27 -3,-2.2 -3,-0.0 -4,-0.3 -4,-0.0 -0.511 82.7-101.1 -89.0 158.5 -35.7 -7.4 50.9 110 115 A E >> - 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0 0 49 -2,-0.6 4,-2.8 -3,-0.2 5,-1.0 -0.801 67.5-100.5-131.2 171.6 29.0 16.4 68.9 502 96 B A H 3>5S+ 0 0 46 -2,-0.3 4,-1.0 1,-0.3 5,-0.1 0.931 121.2 54.9 -60.2 -44.3 30.0 14.2 71.8 503 97 B D H 345S+ 0 0 166 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.706 116.9 33.0 -64.0 -23.0 26.5 14.6 73.2 504 98 B S H <45S+ 0 0 64 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.842 134.8 19.1-104.0 -36.9 24.8 13.3 70.1 505 99 B V H <5S- 0 0 17 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.780 106.9-108.7-102.6 -33.9 27.1 10.8 68.6 506 100 B G >X< - 0 0 27 -4,-1.0 4,-1.3 -5,-1.0 3,-1.2 -0.281 28.1 -85.2 116.8 152.4 29.4 9.9 71.4 507 101 B L T 34 S+ 0 0 148 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.929 122.4 47.8 -56.0 -53.5 33.0 10.5 72.3 508 102 B G T 34 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.1 35,-0.2 0.277 115.3 43.9 -78.3 11.6 34.5 7.7 70.3 509 103 B L T <> S+ 0 0 8 -3,-1.2 4,-2.3 34,-0.1 5,-0.3 0.570 82.2 86.4-128.3 -17.6 32.6 8.4 67.1 510 104 B T H X S+ 0 0 32 -4,-1.3 4,-2.2 -3,-0.4 5,-0.2 0.914 95.4 44.5 -53.1 -47.4 32.6 12.1 66.3 511 105 B S H > S+ 0 0 90 -4,-0.4 4,-2.0 2,-0.2 5,-0.2 0.940 116.8 41.3 -70.0 -46.4 35.9 12.0 64.5 512 106 B E H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.994 115.8 50.9 -64.7 -51.7 35.4 9.0 62.4 513 107 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.860 113.7 44.5 -48.8 -45.0 31.7 9.8 61.5 514 108 B R H X S+ 0 0 53 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.879 112.3 50.7 -71.5 -38.5 32.6 13.4 60.5 515 109 B S H X S+ 0 0 75 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.949 114.0 45.5 -63.5 -46.1 35.6 12.4 58.4 516 110 B W H >X S+ 0 0 39 -4,-2.8 3,-1.2 -5,-0.2 4,-0.8 0.943 113.2 48.8 -64.4 -46.8 33.6 9.8 56.6 517 111 B L H >< S+ 0 0 1 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.967 109.5 54.3 -57.2 -48.7 30.7 12.1 56.0 518 112 B E H 3< S+ 0 0 97 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.637 102.7 57.0 -59.8 -15.4 33.0 14.8 54.7 519 113 B S H << S+ 0 0 92 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.621 88.9 101.1 -90.6 -14.5 34.5 12.5 52.1 520 114 B L S << S- 0 0 30 -3,-1.8 -3,-0.0 -4,-0.8 -4,-0.0 -0.190 81.9 -98.5 -70.2 158.5 31.2 11.7 50.5 521 115 B E > - 0 0 109 1,-0.1 4,-2.7 4,-0.0 3,-0.4 -0.524 41.9-106.1 -73.9 146.1 29.8 13.2 47.3 522 116 B P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.847 116.0 43.3 -38.4 -59.5 27.4 16.1 47.8 523 117 B R H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.896 115.6 48.6 -62.6 -39.3 24.1 14.4 46.9 524 118 B K H > S+ 0 0 71 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.895 111.3 50.5 -67.4 -38.6 25.0 11.2 48.9 525 119 B L H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 109.1 51.7 -64.1 -39.9 26.0 13.3 51.9 526 120 B A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 5,-0.3 0.910 106.8 53.5 -65.8 -40.4 22.7 15.2 51.7 527 121 B E H X S+ 0 0 74 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.824 110.5 47.2 -62.3 -32.0 20.8 11.9 51.6 528 122 B Y H X S+ 0 0 34 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.879 105.5 57.9 -76.9 -36.3 22.6 10.8 54.8 529 123 B L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.840 121.6 29.0 -61.9 -29.8 21.9 14.1 56.6 530 124 B I H < S+ 0 0 3 -4,-1.5 33,-2.3 -5,-0.2 -2,-0.2 0.835 126.3 43.8 -99.0 -32.8 18.2 13.5 56.1 531 125 B G H < S- 0 0 1 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.471 105.6-128.2 -91.2 -0.8 18.1 9.7 56.0 532 126 B G < - 0 0 0 -4,-1.9 2,-0.4 29,-0.3 -1,-0.2 0.025 16.8 -94.0 76.8 169.1 20.4 9.2 59.0 533 127 B V B -S 560 0H 0 27,-1.6 27,-1.8 -4,-0.1 26,-0.4 -0.995 28.2-156.3-130.3 129.8 23.5 7.0 59.4 534 128 B A >> - 0 0 7 -2,-0.4 3,-2.2 24,-0.2 4,-0.6 -0.678 33.0-111.8-100.0 155.8 23.6 3.5 60.7 535 129 B A G >4 S+ 0 0 9 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.890 117.7 63.6 -51.9 -37.3 26.7 1.8 62.3 536 130 B D G 34 S+ 0 0 85 1,-0.3 -1,-0.3 8,-0.1 4,-0.1 0.664 92.2 61.0 -60.6 -23.5 26.7 -0.4 59.2 537 131 B D G <4 S+ 0 0 43 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.675 88.4 94.6 -81.3 -16.1 27.4 2.5 56.9 538 132 B L S << S- 0 0 15 -3,-1.6 2,-0.2 -4,-0.6 3,-0.1 -0.405 86.0-107.3 -80.1 151.1 30.6 3.2 58.6 539 133 B P - 0 0 74 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.546 64.4 -67.0 -71.2 142.4 33.9 1.9 57.4 540 134 B A S S+ 0 0 105 -2,-0.2 2,-0.3 -4,-0.1 3,-0.1 0.033 78.0 146.2 -32.0 125.4 35.2 -0.9 59.7 541 135 B S > - 0 0 27 1,-0.1 4,-1.6 -3,-0.1 -3,-0.0 -0.963 58.8-115.9-160.9 162.4 36.0 0.6 63.1 542 136 B E H > S+ 0 0 170 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.952 115.8 51.2 -68.8 -52.5 36.0 -0.3 66.8 543 137 B G H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.963 110.7 46.8 -47.5 -64.4 33.4 2.4 67.6 544 138 B A H > S+ 0 0 2 1,-0.3 4,-2.7 -5,-0.2 -1,-0.2 0.906 112.6 54.4 -44.8 -44.6 31.1 1.2 64.8 545 139 B N H X S+ 0 0 84 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.917 104.0 50.5 -60.8 -44.4 31.7 -2.3 66.2 546 140 B I H X S+ 0 0 65 -4,-2.8 4,-2.3 -3,-0.4 3,-0.3 0.954 112.3 49.4 -60.4 -43.0 30.7 -1.5 69.8 547 141 B L H X S+ 0 0 47 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.900 107.5 53.4 -58.1 -46.4 27.5 0.1 68.4 548 142 B K H X S+ 0 0 82 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.3 0.861 107.8 53.2 -57.8 -33.8 26.9 -3.0 66.4 549 143 B X H X>S+ 0 0 97 -4,-1.9 4,-3.3 -3,-0.3 5,-0.6 0.939 106.3 50.0 -66.5 -50.3 27.3 -5.0 69.6 550 144 B Y H X>S+ 0 0 108 -4,-2.3 4,-1.7 1,-0.2 6,-1.6 0.883 111.9 50.1 -57.4 -37.6 24.7 -3.0 71.5 551 145 B R H X5S+ 0 0 87 -4,-2.2 4,-1.4 4,-0.2 -1,-0.2 0.959 118.3 37.1 -65.9 -48.0 22.3 -3.5 68.6 552 146 B E H <5S+ 0 0 147 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.980 127.6 32.7 -68.0 -57.3 22.8 -7.3 68.5 553 147 B Y H <5S+ 0 0 195 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.820 135.4 23.0 -73.9 -30.3 23.2 -8.0 72.2 554 148 B L H < + 0 0 9 -33,-2.3 3,-2.3 1,-0.1 4,-0.3 -0.528 29.4 164.4-119.7 66.7 14.3 12.2 59.7 564 159 B P G > + 0 0 3 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.743 69.8 67.5 -56.4 -22.8 11.2 10.7 58.0 565 160 B N G > S+ 0 0 4 1,-0.2 3,-1.8 -119,-0.2 6,-0.2 0.500 71.5 89.5 -77.5 -2.0 9.1 13.8 58.8 566 161 B T G < S+ 0 0 5 -3,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.828 72.4 75.0 -61.0 -27.8 11.1 16.0 56.5 567 162 B Q G < S+ 0 0 0 -3,-1.0 2,-1.2 -4,-0.3 -138,-0.5 0.838 87.0 65.0 -53.5 -28.1 8.6 14.8 53.9 568 163 B F X + 0 0 6 -3,-1.8 3,-2.0 1,-0.2 4,-0.4 -0.578 66.2 173.5 -96.8 73.6 6.2 17.2 55.6 569 164 B T T 3> + 0 0 2 -2,-1.2 4,-0.8 1,-0.3 238,-0.2 0.650 68.4 72.2 -56.0 -15.1 8.0 20.5 54.8 570 165 B R T 34 S+ 0 0 14 236,-1.7 -1,-0.3 1,-0.2 237,-0.1 0.793 86.4 66.7 -70.1 -28.9 5.2 22.5 56.3 571 166 B D T <4 S+ 0 0 0 -3,-2.0 59,-2.9 235,-0.5 -1,-0.2 0.937 101.6 38.2 -58.8 -51.4 6.1 21.5 59.9 572 167 B T T 4 S+ 0 0 4 -4,-0.4 11,-2.0 57,-0.2 2,-0.3 0.727 115.6 25.8 -84.7 -27.4 9.5 23.2 60.4 573 168 B T E < -T 582 0I 2 -4,-0.8 2,-0.4 9,-0.2 9,-0.2 -0.982 60.2-160.4-137.2 150.9 9.5 26.6 58.8 574 169 B C E -T 581 0I 10 7,-1.3 7,-1.8 -2,-0.3 2,-0.8 -0.989 11.9-147.1-131.5 124.8 6.7 29.1 58.0 575 170 B W E -T 580 0I 8 235,-0.4 2,-0.6 -2,-0.4 5,-0.3 -0.825 20.0-178.1 -93.8 114.9 6.7 31.9 55.5 576 171 B I E > -T 579 0I 0 3,-1.9 3,-0.5 -2,-0.8 -159,-0.1 -0.938 58.4 -60.6-111.9 103.6 4.4 34.7 57.0 577 172 B Y B 3 S-P 416 0G 21 -161,-2.4 2,-1.3 -2,-0.6 -161,-1.2 -0.275 124.6 -2.5 53.2-138.3 4.3 37.6 54.5 578 173 B G T 3 S+ 0 0 33 -163,-0.2 35,-1.8 88,-0.1 2,-0.3 -0.019 131.2 46.2 -76.1 39.1 7.7 39.0 54.0 579 174 B G E < -Tu 576 613I 0 -2,-1.3 -3,-1.9 -3,-0.5 2,-0.3 -0.964 66.1-129.0-163.5 175.6 9.4 36.7 56.4 580 175 B V E -Tu 575 614I 0 33,-2.6 35,-2.0 -5,-0.3 36,-0.8 -0.938 11.3-139.2-135.7 154.2 9.9 33.1 57.8 581 176 B T E -Tu 574 616I 0 -7,-1.8 -7,-1.3 -2,-0.3 2,-0.8 -0.892 8.5-148.3-110.6 146.5 9.8 31.4 61.2 582 177 B L E -T 573 0I 7 34,-2.6 36,-0.3 -2,-0.4 -9,-0.2 -0.915 35.6-134.9-111.7 92.4 12.4 28.7 62.1 583 178 B N - 0 0 1 -11,-2.0 2,-1.2 -2,-0.8 11,-0.1 -0.362 6.0-137.5 -64.8 124.8 10.0 26.7 64.3 584 179 B P - 0 0 9 0, 0.0 44,-1.5 0, 0.0 -1,-0.1 -0.693 37.5-137.3 -78.0 94.3 11.2 25.4 67.7 585 180 B X - 0 0 0 -2,-1.2 6,-0.1 42,-0.2 44,-0.1 -0.166 8.1-127.0 -61.2 149.5 9.6 21.9 67.4 586 181 B Y S S+ 0 0 92 62,-0.1 -1,-0.1 1,-0.1 5,-0.0 0.981 97.5 56.1 -59.6 -63.6 7.8 20.1 70.2 587 182 B W S > S- 0 0 114 1,-0.1 3,-1.7 -140,-0.0 4,-0.4 -0.624 81.6-140.2 -75.0 121.3 9.8 16.9 70.0 588 183 B P G > S+ 0 0 73 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.851 98.4 63.1 -49.7 -38.8 13.5 17.6 70.4 589 184 B A G > S+ 0 0 60 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.803 97.0 59.6 -59.5 -28.3 14.5 15.0 67.8 590 185 B R G X> S+ 0 0 13 -3,-1.7 4,-1.2 1,-0.2 3,-1.1 0.608 82.3 79.9 -77.4 -9.2 12.7 17.0 65.2 591 186 B R H <> S+ 0 0 80 -3,-1.9 4,-1.4 -4,-0.4 -1,-0.2 0.736 80.0 70.8 -69.8 -16.4 14.8 20.0 65.8 592 187 B Q H <> S+ 0 0 57 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.3 0.874 96.2 51.4 -64.5 -35.5 17.3 18.3 63.6 593 188 B E H <> S+ 0 0 6 -3,-1.1 4,-2.3 -4,-0.2 5,-0.2 0.935 107.4 50.8 -67.3 -47.1 15.0 19.0 60.6 594 189 B T H X S+ 0 0 8 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.816 106.1 59.4 -61.6 -23.8 14.8 22.7 61.4 595 190 B L H X S+ 0 0 9 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.961 106.9 43.1 -70.0 -48.4 18.6 22.7 61.6 596 191 B L H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.906 113.7 51.3 -65.9 -38.8 19.0 21.6 58.0 597 192 B T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.908 108.3 52.2 -66.3 -36.2 16.3 23.9 56.7 598 193 B T H X S+ 0 0 10 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.882 106.1 54.1 -63.7 -39.2 17.9 26.8 58.5 599 194 B A H X>S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.6 0.930 109.7 49.0 -61.2 -43.0 21.3 26.0 56.8 600 195 B I H X5S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 8,-0.3 0.946 111.8 46.6 -61.4 -48.8 19.5 26.1 53.5 601 196 B Y H <5S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 117.9 45.7 -65.8 -23.3 17.9 29.5 54.2 602 197 B K H <5S+ 0 0 109 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.944 128.4 16.1 -83.9 -51.1 21.2 30.8 55.4 603 198 B F H <5S+ 0 0 25 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.693 93.4 104.5-101.2 -25.5 23.7 29.6 52.8 604 199 B H S >X S+ 0 0 95 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.875 108.3 60.0 -50.5 -46.7 21.7 30.9 46.6 606 201 B E H 34 S+ 0 0 63 1,-0.2 -5,-0.1 2,-0.1 -2,-0.1 0.731 124.8 19.9 -57.6 -21.2 17.9 31.0 46.4 607 202 B F H X4 S+ 0 0 1 -3,-1.7 3,-2.1 -7,-0.3 -1,-0.2 0.803 106.4 72.7-118.7 -38.4 17.9 32.5 49.9 608 203 B A H 3< S+ 0 0 47 -4,-3.9 -2,-0.1 1,-0.3 -4,-0.1 0.802 109.7 34.0 -51.8 -40.4 21.3 34.0 50.9 609 204 B N T 3< S+ 0 0 156 -4,-0.9 2,-0.3 -5,-0.3 -1,-0.3 0.332 99.0 103.3-102.3 13.5 20.9 37.0 48.7 610 205 B A S < S- 0 0 32 -3,-2.1 2,-0.5 -5,-0.1 -197,-0.0 -0.705 73.4-116.8 -96.8 143.7 17.2 37.4 49.0 611 206 B E + 0 0 143 -2,-0.3 -197,-0.3 -32,-0.0 2,-0.3 -0.648 57.3 122.7 -80.5 124.6 15.5 40.0 51.1 612 207 B F - 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