==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-MAR-10 3M8T . COMPND 2 MOLECULE: 'BLR6230 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR J.D.DOCQUIER,M.BENVENUTI,V.CALDERONE,N.MENCIASSI,S.MANGANI . 526 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 0 3 1 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 2 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 . 2 0 4 4 2 0 2 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 . 0 0 0 2 0 2 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 32 A K >> 0 0 182 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0-103.8 4.2 14.6 12.8 2 33 A K G >4 + 0 0 47 1,-0.3 21,-1.0 2,-0.2 3,-0.7 0.772 360.0 65.2 -60.6 -35.7 1.2 12.3 11.6 3 34 A W G 34 S+ 0 0 103 1,-0.3 -1,-0.3 20,-0.2 39,-0.3 0.828 113.8 30.3 -62.5 -31.6 3.4 9.9 9.7 4 35 A T G <4 S+ 0 0 40 -3,-1.7 -1,-0.3 17,-0.1 -2,-0.2 0.417 97.0 110.7-103.7 0.7 5.2 8.8 12.9 5 36 A A S << S- 0 0 26 -3,-0.7 17,-2.8 -4,-0.6 18,-0.3 -0.459 73.0-103.7 -80.7 145.8 2.2 9.3 15.3 6 37 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 15,-0.1 -0.314 33.0-176.8 -74.1 150.2 0.5 6.3 16.8 7 38 A F - 0 0 2 13,-0.5 314,-0.2 314,-0.1 313,-0.1 -0.988 36.1-107.4-139.1 135.8 -2.8 4.8 15.7 8 39 A E - 0 0 23 312,-1.8 12,-0.1 -2,-0.3 10,-0.1 -0.473 37.7-123.5 -65.6 127.6 -4.4 1.9 17.4 9 40 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.268 38.7 170.5 -70.3 157.7 -4.3 -1.2 15.3 10 41 A F E -A 18 0A 4 8,-1.7 8,-2.7 46,-0.0 2,-0.6 -0.996 43.7 -93.5-162.1 155.9 -7.5 -3.1 14.3 11 42 A Q E -A 17 0A 103 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.723 39.3-176.8 -71.0 118.5 -9.2 -5.7 12.3 12 43 A L E - 0 0 0 4,-2.3 2,-0.3 -2,-0.6 220,-0.2 0.943 63.0 -20.1 -91.3 -54.1 -10.4 -3.8 9.2 13 44 A I E > S-A 16 0A 5 3,-1.5 3,-2.8 1,-0.1 -1,-0.3 -0.921 104.2 -48.4-157.7 128.3 -12.3 -6.5 7.2 14 45 A D T 3 S- 0 0 63 -2,-0.3 -1,-0.1 1,-0.3 143,-0.1 -0.180 127.5 -5.0 51.4-120.2 -12.1 -10.2 7.4 15 46 A N T 3 S+ 0 0 24 -4,-0.1 15,-2.5 -3,-0.1 2,-0.5 0.219 111.7 100.4 -95.7 19.4 -8.3 -11.2 7.2 16 47 A I E < -AB 13 29A 0 -3,-2.8 -4,-2.3 13,-0.2 -3,-1.5 -0.906 50.5-175.0-109.0 123.9 -7.0 -7.6 6.7 17 48 A Y E -AB 11 28A 41 11,-2.8 11,-2.3 -2,-0.5 2,-0.5 -0.960 22.1-132.5-121.8 135.1 -5.7 -5.8 9.7 18 49 A Y E +AB 10 27A 0 -8,-2.7 -8,-1.7 -2,-0.4 9,-0.2 -0.748 34.6 157.9 -86.5 124.0 -4.5 -2.2 10.0 19 50 A V + 0 0 0 7,-2.8 33,-0.2 -2,-0.5 8,-0.2 0.102 39.8 107.0-130.8 17.9 -1.1 -1.9 11.8 20 51 A G - 0 0 0 6,-0.8 -13,-0.5 1,-0.2 5,-0.2 0.123 68.1 -92.7 -84.9-161.0 0.1 1.5 10.5 21 52 A T - 0 0 0 3,-2.5 -1,-0.2 -15,-0.1 -18,-0.1 -0.379 47.5 -87.0-102.1-176.6 0.5 5.0 11.9 22 53 A D S S+ 0 0 13 -17,-2.8 -19,-0.2 -20,-0.4 196,-0.1 0.769 128.4 25.7 -64.1 -20.5 -1.8 7.9 11.9 23 54 A G S S+ 0 0 0 -21,-1.0 2,-0.4 -18,-0.3 -20,-0.2 0.548 117.8 54.3-124.0 -9.6 -0.4 9.0 8.6 24 55 A I S S- 0 0 0 -22,-0.3 -3,-2.5 -21,-0.2 2,-0.4 -0.998 72.5-139.2-134.0 125.9 0.9 5.8 6.8 25 56 A A + 0 0 0 185,-1.9 2,-0.3 -2,-0.4 15,-0.1 -0.724 24.6 171.0 -91.6 128.3 -1.1 2.7 6.3 26 57 A V - 0 0 0 -2,-0.4 -7,-2.8 -5,-0.1 -6,-0.8 -0.972 12.5-161.5-131.9 143.5 0.4 -0.7 6.8 27 58 A Y E -BC 18 38A 1 11,-1.9 11,-2.9 -2,-0.3 2,-0.5 -0.968 18.0-150.0-132.1 147.0 -1.5 -4.0 6.8 28 59 A V E -BC 17 37A 0 -11,-2.3 -11,-2.8 -2,-0.3 2,-0.6 -0.959 14.4-160.4-105.8 130.7 -1.2 -7.6 7.9 29 60 A I E -BC 16 36A 0 7,-2.8 7,-2.4 -2,-0.5 2,-0.5 -0.972 14.1-144.4-110.6 115.0 -3.1 -10.1 5.8 30 61 A K E + C 0 35A 105 -15,-2.5 2,-0.3 -2,-0.6 5,-0.2 -0.733 24.4 175.4 -86.6 123.4 -3.7 -13.3 7.7 31 62 A T E > - C 0 34A 10 3,-2.1 3,-1.3 -2,-0.5 103,-0.1 -0.797 46.4-106.6-119.5 170.1 -3.5 -16.5 5.7 32 63 A S T 3 S+ 0 0 67 101,-0.3 102,-0.2 -2,-0.3 3,-0.1 0.601 120.7 43.7 -68.4 -13.9 -3.7 -20.2 6.5 33 64 A Q T 3 S- 0 0 134 1,-0.4 -1,-0.3 100,-0.2 2,-0.2 0.057 126.6 -69.6-124.2 26.3 0.1 -20.4 5.8 34 65 A G E < -C 31 0A 14 -3,-1.3 -3,-2.1 99,-0.1 -1,-0.4 -0.746 68.8 -41.1 121.4-166.1 1.3 -17.3 7.6 35 66 A L E -Cd 30 63A 8 27,-2.8 29,-2.7 -2,-0.2 30,-1.3 -0.750 29.9-153.7-106.1 143.0 1.2 -13.5 7.2 36 67 A I E -Cd 29 65A 0 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.6 -0.967 16.3-150.5-104.3 128.9 1.5 -11.2 4.3 37 68 A L E -Cd 28 66A 0 28,-2.7 30,-2.9 -2,-0.5 2,-0.8 -0.907 2.8-153.8-100.2 122.5 2.8 -7.7 5.2 38 69 A M E -Cd 27 67A 0 -11,-2.9 -11,-1.9 -2,-0.6 30,-0.2 -0.894 59.3 -42.7 -98.9 102.1 1.5 -4.9 3.0 39 70 A D - 0 0 0 28,-2.8 2,-0.2 -2,-0.8 37,-0.2 0.186 57.7-127.0 70.8 173.0 4.1 -2.1 3.1 40 71 A T - 0 0 1 35,-2.4 2,-0.1 -14,-0.1 36,-0.1 -0.579 22.1-117.0-131.1-158.1 6.0 -0.7 6.0 41 72 A A - 0 0 0 1,-0.3 36,-1.0 -2,-0.2 37,-0.4 -0.401 56.5 -29.6-126.7-155.9 6.4 2.9 7.1 42 73 A M > - 0 0 26 -39,-0.3 3,-2.3 32,-0.2 -1,-0.3 -0.254 65.6-107.8 -60.4 153.3 9.3 5.5 7.5 43 74 A P G > S+ 0 0 40 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.852 120.4 51.8 -51.3 -35.7 12.7 4.0 8.3 44 75 A Q G 3 S+ 0 0 135 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.560 102.9 61.4 -78.6 -4.3 12.5 5.2 11.9 45 76 A S G <> + 0 0 7 -3,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.322 65.6 104.8-106.2 7.4 9.1 3.7 12.5 46 77 A T H <> S+ 0 0 4 -3,-0.8 4,-2.6 -4,-0.3 5,-0.2 0.890 80.4 52.7 -60.3 -39.0 9.8 -0.0 12.0 47 78 A G H > S+ 0 0 36 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 108.0 51.6 -63.7 -39.1 9.7 -0.8 15.7 48 79 A M H > S+ 0 0 50 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 109.8 49.8 -62.7 -42.3 6.3 0.8 16.0 49 80 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.939 111.1 48.8 -62.7 -46.3 5.0 -1.3 13.2 50 81 A K H X S+ 0 0 48 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.898 111.0 50.7 -59.5 -40.5 6.4 -4.5 14.7 51 82 A D H X S+ 0 0 106 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.890 108.2 52.2 -65.7 -38.1 4.8 -3.5 18.0 52 83 A N H X S+ 0 0 8 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.905 108.1 51.8 -63.3 -42.2 1.4 -2.9 16.3 53 84 A I H ><>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 3,-0.6 0.944 112.2 46.0 -56.1 -46.9 1.6 -6.4 14.8 54 85 A A H ><5S+ 0 0 57 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.856 103.5 63.0 -67.0 -37.7 2.3 -7.9 18.2 55 86 A K H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 102.3 51.3 -61.5 -28.5 -0.5 -5.8 19.9 56 87 A L T <<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.499 126.1-102.8 -83.1 -4.6 -3.0 -7.7 17.6 57 88 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.525 78.9 132.4 95.6 3.3 -1.6 -11.0 18.7 58 89 A F < - 0 0 22 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.3 -0.538 52.6-130.1 -81.4 158.6 0.5 -11.7 15.5 59 90 A K > - 0 0 86 -2,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.949 3.1-147.3-107.9 122.8 4.1 -12.8 15.4 60 91 A V G > S+ 0 0 24 -2,-0.5 3,-2.1 1,-0.3 -1,-0.1 0.891 99.8 65.8 -52.1 -37.8 6.4 -10.8 13.1 61 92 A A G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.697 89.9 65.5 -58.3 -20.6 8.3 -14.1 12.6 62 93 A D G < S+ 0 0 76 -3,-1.8 -27,-2.8 -28,-0.1 2,-0.5 0.449 71.4 115.5 -85.5 -0.1 5.2 -15.5 10.8 63 94 A I E < +d 35 0A 1 -3,-2.1 -27,-0.2 -29,-0.2 25,-0.1 -0.629 32.1 167.1 -71.1 121.0 5.5 -13.0 7.9 64 95 A K E + 0 0 96 -29,-2.7 25,-2.0 -2,-0.5 2,-0.4 0.673 62.6 30.1-105.1 -32.7 6.3 -15.0 4.8 65 96 A L E -de 36 89A 15 -30,-1.3 -28,-2.7 23,-0.2 2,-0.5 -0.996 58.2-160.3-133.4 141.0 5.7 -12.3 2.1 66 97 A I E -de 37 90A 0 23,-2.9 25,-2.9 -2,-0.4 2,-0.3 -0.990 16.1-166.4-117.4 124.6 6.2 -8.6 2.0 67 98 A L E -de 38 91A 0 -30,-2.9 -28,-2.8 -2,-0.5 2,-0.4 -0.874 4.6-151.4-109.7 148.1 4.3 -6.8 -0.8 68 99 A N - 0 0 2 23,-1.7 25,-0.3 -2,-0.3 83,-0.2 -0.947 16.5-166.2-119.1 140.9 4.8 -3.2 -1.8 69 100 A T S S- 0 0 2 -2,-0.4 82,-2.7 1,-0.3 2,-0.3 0.892 81.7 -15.3 -81.3 -52.6 2.4 -0.7 -3.3 70 101 A H - 0 0 0 80,-0.2 2,-1.6 2,-0.1 -1,-0.3 -0.994 67.5-109.1-158.9 155.0 5.1 1.7 -4.4 71 102 A A + 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 33,-0.1 -0.433 63.9 125.2 -95.6 64.0 8.8 2.3 -3.7 72 103 A H >> - 0 0 9 -2,-1.6 3,-2.6 33,-0.1 4,-1.4 -0.894 69.8-112.1-110.8 150.0 9.0 5.6 -1.6 73 104 A L H 3> S+ 0 0 16 41,-0.5 4,-1.2 -2,-0.3 5,-0.1 0.687 113.4 64.1 -54.9 -27.7 10.7 5.7 1.8 74 105 A D H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -32,-0.2 0.578 117.0 29.5 -75.2 -9.2 7.5 6.2 3.7 75 106 A H H <4 S+ 0 0 0 -3,-2.6 -35,-2.4 -5,-0.1 -2,-0.2 0.517 126.8 41.4-115.4 -18.8 6.4 2.8 2.5 76 107 A T H >< S+ 0 0 0 -4,-1.4 3,-1.9 -37,-0.2 4,-0.5 0.368 78.8 106.6-109.3 -2.8 9.7 0.9 2.1 77 108 A G T 3< S+ 0 0 5 -4,-1.2 4,-0.2 -36,-1.0 -35,-0.2 0.710 87.5 37.3 -60.7 -26.0 11.5 2.1 5.2 78 109 A G T 3> S+ 0 0 0 -37,-0.4 4,-2.9 -3,-0.1 5,-0.3 0.339 88.7 97.1-102.7 4.5 11.2 -1.1 7.1 79 110 A F H <> S+ 0 0 0 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.940 83.0 47.1 -63.5 -50.3 11.6 -3.6 4.3 80 111 A A H > S+ 0 0 27 -4,-0.5 4,-2.0 37,-0.4 -1,-0.2 0.929 117.5 44.4 -60.9 -41.8 15.3 -4.4 4.6 81 112 A E H > S+ 0 0 87 -4,-0.2 4,-2.5 2,-0.2 5,-0.2 0.959 116.5 43.0 -67.2 -50.5 15.0 -4.9 8.4 82 113 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 6,-0.4 0.903 114.1 51.9 -66.0 -39.7 11.8 -7.0 8.4 83 114 A K H X S+ 0 0 34 -4,-2.9 4,-2.3 -5,-0.3 5,-0.3 0.925 111.5 46.6 -62.0 -42.1 13.0 -9.1 5.4 84 115 A K H < S+ 0 0 189 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.930 115.2 45.7 -67.3 -43.0 16.3 -9.9 7.1 85 116 A E H < S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 124.8 31.0 -72.7 -26.5 14.7 -10.8 10.5 86 117 A T H < S- 0 0 29 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.680 92.9-129.8-100.5 -23.3 11.9 -12.9 9.0 87 118 A G < + 0 0 64 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.592 54.3 157.6 72.0 13.7 13.4 -14.4 5.9 88 119 A A - 0 0 5 -6,-0.4 2,-0.4 -5,-0.3 -23,-0.2 -0.146 42.6-116.5 -63.5 157.8 10.3 -13.2 4.0 89 120 A Q E -e 65 0A 102 -25,-2.0 -23,-2.9 -3,-0.1 2,-0.5 -0.846 21.6-134.1 -95.0 142.1 10.3 -12.7 0.3 90 121 A L E -e 66 0A 1 -2,-0.4 33,-1.9 30,-0.3 32,-1.8 -0.837 18.9-168.7-100.4 128.3 9.7 -9.2 -1.1 91 122 A V E +ef 67 123A 3 -25,-2.9 -23,-1.7 -2,-0.5 2,-0.3 -0.968 19.7 149.0-119.1 126.6 7.2 -8.8 -4.0 92 123 A A E - f 0 124A 1 31,-1.9 33,-2.4 -2,-0.4 5,-0.1 -0.987 51.8 -73.1-154.4 159.5 6.9 -5.6 -6.0 93 124 A G E >> - f 0 125A 4 56,-0.4 3,-1.9 -25,-0.3 4,-0.6 -0.276 46.6-122.6 -56.3 136.2 6.1 -4.1 -9.4 94 125 A E G >4 S+ 0 0 100 31,-2.5 3,-1.4 1,-0.3 -1,-0.1 0.846 108.2 54.5 -55.4 -41.0 9.0 -4.8 -11.8 95 126 A R G 34 S+ 0 0 159 1,-0.3 -1,-0.3 30,-0.2 54,-0.3 0.633 104.9 55.0 -74.7 -11.7 9.6 -1.1 -12.7 96 127 A D G <> S+ 0 0 1 -3,-1.9 4,-2.5 53,-0.3 3,-0.4 0.530 82.1 92.8 -89.2 -6.7 10.1 -0.2 -9.0 97 128 A K H S+ 0 0 70 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.889 111.5 48.7 -62.7 -34.7 15.6 -0.5 -9.3 99 130 A L H >>S+ 0 0 6 -3,-0.4 4,-1.8 -4,-0.3 5,-0.9 0.926 114.4 44.9 -66.8 -46.9 14.2 2.0 -6.8 100 131 A L H <5S+ 0 0 0 -4,-2.5 19,-2.3 1,-0.2 -1,-0.2 0.921 115.5 46.7 -61.7 -46.3 13.9 -0.7 -4.1 101 132 A E H <5S+ 0 0 67 -4,-2.9 -1,-0.2 17,-0.2 -2,-0.2 0.692 120.1 39.1 -77.0 -18.2 17.3 -2.2 -4.8 102 133 A G H <5S- 0 0 43 -4,-1.4 -1,-0.2 -5,-0.3 16,-0.2 0.598 96.0-135.4-100.2 -17.3 19.0 1.2 -4.8 103 134 A G T <5 + 0 0 4 -4,-1.8 13,-1.5 1,-0.2 2,-0.3 0.839 60.7 120.3 66.1 41.7 17.2 2.9 -2.0 104 135 A Y < - 0 0 48 -5,-0.9 -1,-0.2 11,-0.2 5,-0.2 -0.866 68.3-106.9-136.8 163.4 16.7 6.2 -3.8 105 136 A Y B > -G 108 0B 12 3,-0.5 3,-2.2 -2,-0.3 6,-0.2 -0.772 47.6-109.8 -89.2 125.0 13.9 8.6 -5.1 106 137 A P T 3 S+ 0 0 7 0, 0.0 79,-0.1 0, 0.0 -1,-0.1 -0.315 100.8 8.4 -62.0 135.4 13.6 8.4 -8.8 107 138 A G T 3 S+ 0 0 31 1,-0.1 78,-0.1 70,-0.1 3,-0.0 0.506 128.6 61.5 73.2 5.5 14.9 11.5 -10.6 108 139 A D B X +G 105 0B 62 -3,-2.2 3,-1.7 76,-0.1 -3,-0.5 -0.277 62.1 152.4-150.5 51.8 16.3 12.8 -7.3 109 140 A E T 3 + 0 0 122 1,-0.3 -1,-0.0 -5,-0.2 5,-0.0 0.606 66.5 54.3 -72.0 -14.0 18.8 10.1 -6.6 110 141 A K T 3 S+ 0 0 198 -6,-0.1 2,-1.1 -5,-0.1 -1,-0.3 0.426 77.2 109.7 -96.7 -1.3 21.3 12.1 -4.5 111 142 A N X - 0 0 53 -3,-1.7 3,-1.8 -6,-0.2 -6,-0.3 -0.647 48.3-171.1 -82.0 97.6 18.7 13.3 -2.0 112 143 A E G > S+ 0 0 154 -2,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.751 79.0 68.2 -62.5 -24.7 19.5 11.5 1.2 113 144 A D G 3 S+ 0 0 139 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.674 105.1 43.2 -70.8 -13.3 16.4 12.6 3.0 114 145 A L G < S+ 0 0 28 -3,-1.8 -41,-0.5 -6,-0.2 -1,-0.2 0.317 93.8 109.4-108.9 4.0 14.4 10.4 0.6 115 146 A A < - 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0 0 58 0, 0.0 -4,-0.2 0, 0.0 3,-0.1 -0.220 19.8-116.9 -60.1 146.6 -19.7 30.9 50.9 448 215 B T S S- 0 0 9 -6,-2.7 2,-0.3 1,-0.2 -5,-0.1 0.848 97.3 -7.5 -51.7 -39.2 -20.2 28.5 47.9 449 216 B Y S > S- 0 0 35 -7,-0.4 3,-1.5 -79,-0.1 2,-0.2 -0.971 92.5 -82.9-150.8 161.7 -20.2 25.7 50.4 450 217 B A T 3 S+ 0 0 96 -2,-0.3 -4,-0.0 1,-0.2 -2,-0.0 -0.454 112.1 12.6 -69.9 130.1 -19.4 25.3 54.1 451 218 B G T 3> S+ 0 0 39 -2,-0.2 4,-2.2 -8,-0.1 -1,-0.2 0.539 79.6 139.1 82.6 15.5 -15.7 25.0 54.9 452 219 B I H <> + 0 0 3 -3,-1.5 4,-2.3 1,-0.2 5,-0.2 0.860 68.2 52.9 -57.2 -42.4 -14.5 26.1 51.5 453 220 B V H > S+ 0 0 33 -10,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.950 110.3 45.9 -64.1 -46.7 -11.7 28.2 52.8 454 221 B D H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 110.0 56.3 -65.3 -35.6 -10.2 25.5 55.0 455 222 B D H X S+ 0 0 28 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.929 107.0 47.8 -59.0 -50.5 -10.5 23.1 52.1 456 223 B Y H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.934 112.5 49.8 -54.1 -49.0 -8.4 25.3 49.8 457 224 B R H X S+ 0 0 100 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.898 111.9 46.8 -55.0 -48.2 -5.8 25.7 52.4 458 225 B A H X S+ 0 0 61 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.884 112.1 53.1 -62.0 -38.4 -5.6 22.0 53.1 459 226 B T H X S+ 0 0 2 -4,-2.5 4,-2.8 -51,-0.3 -2,-0.2 0.900 106.1 49.6 -67.6 -45.1 -5.4 21.4 49.4 460 227 B F H X S+ 0 0 6 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.928 115.2 45.5 -60.3 -46.6 -2.5 23.7 48.6 461 228 B A H X S+ 0 0 63 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.928 113.2 49.1 -61.7 -43.4 -0.5 22.2 51.5 462 229 B K H >X S+ 0 0 56 -4,-2.7 3,-0.9 1,-0.2 4,-0.6 0.925 109.5 52.4 -60.9 -46.2 -1.4 18.6 50.5 463 230 B A H >< S+ 0 0 2 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.890 105.9 54.1 -57.9 -42.4 -0.4 19.3 46.8 464 231 B K H 3< S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.711 107.0 52.7 -67.4 -21.9 3.0 20.6 47.8 465 232 B A H << S+ 0 0 77 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.539 87.3 100.3 -89.7 -7.9 3.7 17.4 49.8 466 233 B M S << S- 0 0 31 -3,-1.1 2,-0.9 -4,-0.6 37,-0.1 -0.493 71.4-131.5 -82.9 147.3 3.0 14.9 47.0 467 234 B K + 0 0 182 -2,-0.2 2,-0.4 35,-0.1 33,-0.1 -0.853 43.3 161.8 -99.4 96.8 5.8 13.3 45.0 468 235 B I - 0 0 7 -2,-0.9 34,-0.3 31,-0.5 -38,-0.2 -0.982 29.7-175.0-128.3 125.5 4.6 13.8 41.4 469 236 B D S S+ 0 0 29 -40,-1.8 29,-1.9 -2,-0.4 2,-0.5 0.822 80.2 38.4 -81.3 -39.2 6.6 13.7 38.2 470 237 B V E S-v 430 0F 0 -41,-2.1 -39,-2.5 27,-0.2 2,-0.5 -0.956 70.2-157.1-127.5 108.4 3.9 14.7 35.7 471 238 B L E +v 431 0F 1 -2,-0.5 2,-0.3 25,-0.4 -39,-0.2 -0.776 21.6 167.1 -85.6 124.5 1.4 17.4 36.6 472 239 B L E +v 432 0F 0 -41,-3.0 -39,-2.1 -2,-0.5 -2,-0.0 -0.761 4.6 171.8-122.6 172.4 -1.9 17.3 34.6 473 240 B G - 0 0 1 -2,-0.3 -39,-0.2 -41,-0.2 6,-0.1 -0.978 47.5 -88.6-170.6 174.9 -5.2 19.0 35.1 474 241 B P S S+ 0 0 0 0, 0.0 -185,-1.9 0, 0.0 -40,-0.1 0.525 111.9 45.9 -80.0 -5.4 -8.6 19.7 33.7 475 242 B H S > S- 0 0 30 -187,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.994 83.8-128.7-128.9 142.7 -7.5 22.9 31.8 476 243 B P G > >S+ 0 0 0 0, 0.0 5,-2.2 0, 0.0 3,-1.1 0.785 105.5 68.9 -63.4 -21.5 -4.3 22.9 29.7 477 244 B E G 3 5S+ 0 0 100 1,-0.2 3,-0.1 -190,-0.2 -189,-0.0 0.676 81.9 74.2 -68.8 -17.5 -3.2 26.1 31.6 478 245 B V G < 5S+ 0 0 6 -3,-2.0 -1,-0.2 1,-0.2 -6,-0.0 0.880 120.0 11.1 -60.0 -36.5 -2.7 24.0 34.8 479 246 B Y T < 5S- 0 0 1 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.121 105.3-106.7-133.9 18.1 0.5 22.6 33.3 480 247 B G T >5 + 0 0 35 -4,-0.5 4,-1.6 3,-0.1 -3,-0.2 0.942 49.1 177.7 54.9 52.0 1.2 24.7 30.2 481 248 B M H >< + 0 0 0 -5,-2.2 4,-2.8 1,-0.2 5,-0.2 0.887 68.4 53.6 -53.4 -47.7 0.2 21.9 27.9 482 249 B Q H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 107.6 49.7 -64.8 -41.5 0.6 23.7 24.6 483 250 B A H > S+ 0 0 71 1,-0.2 4,-0.6 -3,-0.2 -1,-0.2 0.876 113.8 46.1 -67.6 -34.9 4.2 24.7 25.2 484 251 B K H >< S+ 0 0 18 -4,-1.6 3,-1.1 2,-0.2 4,-0.5 0.917 110.3 53.0 -69.0 -45.2 5.2 21.1 26.2 485 252 B R H >< S+ 0 0 76 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.898 104.9 56.6 -55.4 -41.9 3.3 19.6 23.2 486 253 B A H 3< S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.736 105.3 51.8 -65.1 -26.1 5.3 21.9 20.9 487 254 B E T << S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.460 82.2 120.3 -88.7 -4.3 8.6 20.5 22.3 488 255 B M < + 0 0 48 -3,-1.5 2,-0.3 -4,-0.5 6,-0.1 -0.430 31.0 157.5 -67.2 131.8 7.7 16.9 21.8 489 256 B K > - 0 0 147 3,-0.2 3,-2.3 4,-0.2 2,-0.0 -0.972 48.1-100.2-153.8 137.5 10.0 14.9 19.6 490 257 B D T 3 S+ 0 0 151 -2,-0.3 -486,-0.0 1,-0.3 -2,-0.0 -0.368 111.4 20.0 -56.4 128.2 10.8 11.2 19.2 491 258 B G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -2,-0.0 3,-0.1 0.220 103.0 101.6 96.2 -12.3 14.1 10.6 21.0 492 259 B A S < S- 0 0 39 -3,-2.3 -1,-0.3 1,-0.1 -3,-0.2 -0.735 86.4 -83.2-102.5 155.2 14.0 13.7 23.2 493 260 B P - 0 0 124 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.168 52.9 -98.4 -58.2 145.7 12.9 13.6 26.9 494 261 B N > - 0 0 29 1,-0.2 3,-1.8 -6,-0.1 -6,-0.1 -0.535 30.5-150.3 -65.2 115.0 9.1 13.8 27.5 495 262 B P T 3 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 0.624 89.0 72.0 -68.9 -12.3 8.5 17.4 28.3 496 263 B F T 3 S+ 0 0 0 -220,-0.2 2,-1.0 -12,-0.1 -25,-0.4 0.596 75.7 92.4 -74.7 -9.1 5.5 16.6 30.5 497 264 B I < + 0 0 32 -3,-1.8 -27,-0.2 -27,-0.1 -1,-0.1 -0.773 41.7 139.8 -86.9 103.6 8.0 15.2 33.1 498 265 B K > - 0 0 107 -29,-1.9 3,-1.7 -2,-1.0 4,-0.3 -0.777 29.8-170.3-140.6 89.5 8.6 18.3 35.4 499 266 B P T 3 S+ 0 0 73 0, 0.0 -31,-0.5 0, 0.0 4,-0.3 0.691 81.4 51.4 -66.5 -15.4 8.7 16.9 39.0 500 267 B G T 3> S+ 0 0 44 1,-0.2 4,-2.0 -31,-0.1 3,-0.2 0.508 83.7 92.9 -90.8 -7.2 8.7 20.4 40.8 501 268 B E H <> S+ 0 0 30 -3,-1.7 4,-3.2 1,-0.2 5,-0.2 0.842 77.3 55.3 -65.8 -39.5 5.8 21.8 38.9 502 269 B L H > S+ 0 0 5 -4,-0.3 4,-3.0 -34,-0.3 5,-0.2 0.915 109.8 48.5 -62.5 -40.2 3.0 20.9 41.4 503 270 B V H > S+ 0 0 63 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.947 114.7 45.2 -60.9 -48.1 4.8 22.7 44.2 504 271 B T H X S+ 0 0 92 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.940 116.3 45.9 -62.0 -44.1 5.3 25.8 42.0 505 272 B Y H X S+ 0 0 44 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.930 111.7 50.0 -68.3 -43.6 1.8 25.7 40.7 506 273 B A H X S+ 0 0 1 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.849 109.1 54.2 -63.0 -33.6 0.2 25.2 44.2 507 274 B T H X S+ 0 0 38 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.938 108.8 47.8 -64.9 -46.0 2.3 28.1 45.5 508 275 B S H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.911 112.4 49.6 -59.4 -42.2 0.9 30.3 42.7 509 276 B L H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.884 110.1 50.2 -63.5 -40.6 -2.6 29.2 43.5 510 277 B S H X S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.893 109.7 51.0 -66.8 -40.3 -2.2 29.9 47.2 511 278 B E H X S+ 0 0 119 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.914 113.0 44.6 -64.4 -42.0 -0.9 33.3 46.5 512 279 B D H X S+ 0 0 73 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.898 108.2 59.6 -69.0 -36.5 -3.8 34.1 44.3 513 280 B F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.935 103.8 51.0 -51.9 -48.9 -6.1 32.5 46.9 514 281 B D H X S+ 0 0 72 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.900 110.7 48.6 -58.1 -42.9 -4.9 35.1 49.5 515 282 B K H X S+ 0 0 73 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.909 113.1 46.9 -64.2 -42.6 -5.6 38.0 47.1 516 283 B Q H X S+ 0 0 54 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.884 111.0 51.1 -69.0 -41.4 -9.1 36.7 46.3 517 284 B L H X S+ 0 0 31 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.927 111.6 48.2 -60.0 -44.0 -9.9 36.2 49.9 518 285 B A H X S+ 0 0 62 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.902 112.9 48.5 -62.0 -39.5 -8.8 39.7 50.7 519 286 B K H X S+ 0 0 94 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.951 113.8 45.0 -69.5 -46.9 -10.8 41.1 47.8 520 287 B Q H X S+ 0 0 40 -4,-3.0 4,-0.6 2,-0.2 -1,-0.2 0.878 113.3 51.0 -63.9 -36.7 -14.0 39.2 48.7 521 288 B T H >< S+ 0 0 68 -4,-2.5 3,-1.1 -5,-0.2 4,-0.4 0.940 110.3 48.5 -66.1 -46.3 -13.6 40.1 52.4 522 289 B A H >< S+ 0 0 66 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.892 105.6 59.8 -60.3 -38.4 -13.2 43.8 51.6 523 290 B A H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.614 89.2 72.1 -66.3 -16.3 -16.3 43.6 49.3 524 291 B L T << S+ 0 0 96 -3,-1.1 2,-1.0 -4,-0.6 -1,-0.3 0.725 77.1 87.4 -64.1 -27.1 -18.4 42.5 52.3 525 292 B E S < S- 0 0 168 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.0 -0.711 80.6-150.4 -76.0 103.0 -18.1 46.1 53.5 526 293 B K 0 0 91 -2,-1.0 -2,-0.1 1,-0.1 -3,-0.0 -0.629 360.0 360.0 -85.6 140.2 -21.0 47.6 51.7 527 294 B K 0 0 170 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.125 360.0 360.0-115.9 360.0 -21.1 51.2 50.6