==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-FEB-12 4DMC . COMPND 2 MOLECULE: PUTATIVE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.BAHL,D.R.MADDEN . 1184 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 803 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 40 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 201 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 10 2 12 4 0 0 0 12 7 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 . 2 2 0 0 4 0 3 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 . 2 0 0 0 0 0 4 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 25 A A 0 0 130 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.6 -0.2 41.7 8.0 2 26 A E - 0 0 85 1,-0.1 4,-0.0 4,-0.0 10,-0.0 -0.962 360.0-159.0-122.8 132.7 -1.2 39.8 11.2 3 27 A E S S+ 0 0 48 -2,-0.4 -1,-0.1 1,-0.1 198,-0.1 0.780 86.7 27.3 -75.2 -26.0 -1.1 36.0 11.7 4 28 A F S S- 0 0 2 197,-0.0 2,-0.3 194,-0.0 -1,-0.1 -0.975 93.3 -96.9-137.8 149.3 -3.7 36.3 14.5 5 29 A P - 0 0 26 0, 0.0 961,-0.1 0, 0.0 -2,-0.0 -0.485 35.7-133.2 -69.9 126.0 -6.5 38.7 15.3 6 30 A V - 0 0 36 -2,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.583 27.0-111.2 -75.2 135.0 -5.6 41.4 17.8 7 31 A P > - 0 0 17 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.337 47.4 -81.9 -64.2 151.1 -8.2 41.9 20.6 8 32 A N T 3 S+ 0 0 133 1,-0.3 3,-0.1 3,-0.0 964,-0.0 -0.275 119.0 22.6 -54.8 131.4 -10.1 45.2 20.5 9 33 A G T 3 S+ 0 0 64 1,-0.3 19,-0.5 -3,-0.1 2,-0.3 0.487 102.6 105.9 89.3 1.7 -8.0 48.0 22.1 10 34 A F < - 0 0 27 -3,-2.1 2,-0.4 17,-0.1 -1,-0.3 -0.801 56.9-143.3-109.3 158.1 -4.7 46.3 21.6 11 35 A E E -A 26 0A 106 15,-2.5 15,-2.3 -2,-0.3 2,-0.5 -0.952 7.3-139.4-120.1 142.0 -1.9 47.1 19.0 12 36 A S E +A 25 0A 32 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.883 42.5 151.2 -92.5 124.3 0.4 44.8 17.1 13 37 A A E -A 24 0A 19 11,-2.6 11,-2.5 -2,-0.5 2,-0.3 -0.852 35.0-128.7-145.0 176.9 3.9 46.3 17.0 14 38 A Y E -A 23 0A 96 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.966 10.5-166.3-133.3 150.8 7.6 45.5 16.8 15 39 A R E -A 22 0A 103 7,-2.3 7,-2.8 -2,-0.3 2,-0.5 -0.989 20.3-133.8-137.0 128.2 10.7 46.4 18.8 16 40 A E E -A 21 0A 90 -2,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.716 27.8-178.8 -78.7 126.2 14.3 45.9 17.7 17 41 A V E > -A 20 0A 7 3,-2.9 3,-1.9 -2,-0.5 72,-0.1 -0.978 68.8 -21.9-132.4 115.9 16.3 44.4 20.6 18 42 A D T 3 S- 0 0 85 -2,-0.4 56,-0.2 1,-0.3 -1,-0.1 0.907 129.3 -49.6 46.8 46.1 20.0 43.7 20.2 19 43 A G T 3 S+ 0 0 32 1,-0.2 2,-0.5 54,-0.1 -1,-0.3 0.485 117.5 112.4 79.2 3.0 19.5 43.6 16.4 20 44 A V E < -A 17 0A 0 -3,-1.9 -3,-2.9 51,-0.0 2,-0.8 -0.938 63.9-136.6-112.8 126.5 16.5 41.2 16.5 21 45 A K E -A 16 0A 78 -2,-0.5 50,-2.7 -5,-0.2 2,-0.4 -0.715 24.3-164.6 -85.2 109.8 13.1 42.5 15.6 22 46 A L E -A 15 0A 0 -7,-2.8 -7,-2.3 -2,-0.8 2,-0.3 -0.795 8.1-144.6 -97.3 134.7 10.6 41.2 18.1 23 47 A H E +A 14 0A 0 -2,-0.4 40,-2.5 40,-0.3 2,-0.3 -0.704 27.3 164.5 -90.9 145.6 6.8 41.2 17.5 24 48 A Y E -AB 13 62A 15 -11,-2.5 -11,-2.6 -2,-0.3 2,-0.4 -0.990 32.9-134.3-153.6 161.7 4.4 41.8 20.3 25 49 A V E -AB 12 61A 0 36,-1.8 36,-2.7 -2,-0.3 2,-0.4 -0.973 30.8-177.2-117.1 135.8 0.8 42.7 21.1 26 50 A K E +AB 11 60A 45 -15,-2.3 -15,-2.5 -2,-0.4 2,-0.3 -0.984 13.2 141.7-140.1 140.6 0.2 45.4 23.8 27 51 A G E + B 0 59A 8 32,-1.9 32,-3.3 -2,-0.4 -17,-0.1 -0.979 32.3 51.5-163.3 170.5 -2.7 47.0 25.5 28 52 A G E - B 0 58A 33 -19,-0.5 2,-0.3 -2,-0.3 30,-0.2 -0.164 63.2 -94.1 91.7 176.3 -4.0 48.4 28.8 29 53 A Q S S+ 0 0 166 25,-0.9 -2,-0.0 28,-0.6 0, 0.0 -0.959 70.0 40.8-135.4 149.9 -2.7 50.8 31.4 30 54 A G S S- 0 0 45 -2,-0.3 27,-0.2 27,-0.2 28,-0.2 -0.687 95.1 -1.4 113.6-168.1 -0.8 50.4 34.7 31 55 A P S S- 0 0 49 0, 0.0 27,-2.4 0, 0.0 2,-0.3 -0.220 84.7 -98.4 -57.5 152.2 2.2 48.3 35.9 32 56 A L E -c 58 0A 5 66,-0.3 68,-2.9 25,-0.2 2,-0.4 -0.552 34.3-174.3 -84.7 135.0 3.5 46.0 33.2 33 57 A V E -cd 59 100A 0 25,-2.9 27,-2.5 -2,-0.3 2,-0.5 -0.999 10.1-158.3-119.4 127.6 2.7 42.3 32.9 34 58 A M E -cd 60 101A 0 66,-2.7 68,-2.7 -2,-0.4 2,-0.5 -0.920 2.9-160.9-105.7 128.7 4.6 40.3 30.2 35 59 A L E - d 0 102A 0 25,-2.5 2,-0.5 -2,-0.5 68,-0.2 -0.949 5.9-164.1-110.3 124.0 3.0 37.0 29.0 36 60 A V E - d 0 103A 0 66,-3.0 68,-2.4 -2,-0.5 71,-0.2 -0.934 7.2-150.0-119.7 115.5 5.4 34.6 27.3 37 61 A H - 0 0 0 25,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.007 9.9-136.4 -73.5 177.8 4.0 31.7 25.1 38 62 A G > - 0 0 1 4,-0.2 3,-1.4 1,-0.2 67,-0.1 -0.422 41.0 -37.2-122.9-163.4 5.4 28.2 24.5 39 63 A F T 3 S+ 0 0 1 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.282 118.9 19.0 -64.0 140.7 6.0 25.7 21.7 40 64 A G T 3 S+ 0 0 4 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.335 119.4 65.1 87.2 -5.9 3.4 25.2 19.0 41 65 A Q < - 0 0 6 -3,-1.4 -1,-0.3 160,-0.1 2,-0.2 -0.607 61.6-147.9-136.7-170.8 1.9 28.6 19.7 42 66 A T > - 0 0 2 -2,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.744 57.0 -60.3-144.9-169.5 2.4 32.4 19.7 43 67 A W G > S+ 0 0 0 1,-0.3 3,-2.2 -2,-0.2 4,-0.1 0.774 119.6 79.9 -49.3 -29.0 1.3 35.4 21.7 44 68 A Y G > S+ 0 0 20 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.720 70.6 75.0 -61.1 -23.0 -2.2 34.4 20.6 45 69 A E G < S+ 0 0 2 -3,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.802 98.4 50.7 -61.3 -19.6 -2.6 31.8 23.3 46 70 A W G <> S+ 0 0 1 -3,-2.2 4,-2.5 -4,-0.2 3,-0.4 0.391 76.7 107.6 -91.8 2.4 -3.0 34.7 25.7 47 71 A H T <4 S+ 0 0 22 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.713 80.8 45.3 -66.5 -21.8 -5.7 36.5 23.7 48 72 A Q T > S+ 0 0 32 -3,-0.3 4,-0.5 -4,-0.2 -1,-0.3 0.840 116.2 45.3 -83.9 -36.6 -8.6 35.7 26.1 49 73 A L H > S+ 0 0 3 -3,-0.4 4,-2.1 -4,-0.2 3,-0.4 0.823 100.3 72.1 -72.6 -33.5 -6.6 36.6 29.2 50 74 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.878 93.8 48.6 -55.3 -49.0 -5.2 39.8 27.8 51 75 A P H 4 S+ 0 0 48 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.845 112.0 51.4 -62.7 -32.6 -8.4 42.0 27.9 52 76 A E H >< S+ 0 0 38 -4,-0.5 3,-1.0 -3,-0.4 -2,-0.2 0.927 113.6 42.8 -69.5 -46.7 -9.1 41.0 31.5 53 77 A L H >X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 3,-2.2 0.833 102.7 68.8 -64.9 -33.8 -5.6 41.9 32.6 54 78 A A T 3< S+ 0 0 18 -4,-2.3 -25,-0.9 1,-0.3 -1,-0.2 0.616 85.7 69.4 -66.7 -11.3 -5.6 45.1 30.6 55 79 A K T <4 S+ 0 0 130 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.658 120.6 16.0 -76.0 -17.1 -8.2 46.5 33.0 56 80 A R T <4 S+ 0 0 90 -3,-2.2 2,-0.3 -4,-0.2 -2,-0.2 0.539 127.5 39.0-127.5 -20.3 -5.6 46.7 35.7 57 81 A F S < S- 0 0 0 -4,-2.6 2,-0.6 239,-0.2 -28,-0.6 -0.865 75.6-109.7-132.1 159.7 -2.2 46.3 33.9 58 82 A T E -Bc 28 32A 21 -27,-2.4 -25,-2.9 -2,-0.3 2,-0.5 -0.869 47.6-155.2 -81.9 123.8 -0.2 47.3 30.9 59 83 A V E -Bc 27 33A 0 -32,-3.3 -32,-1.9 -2,-0.6 2,-0.4 -0.894 18.5-179.2-112.3 130.1 -0.1 43.9 29.1 60 84 A I E -Bc 26 34A 0 -27,-2.5 -25,-2.5 -2,-0.5 -34,-0.2 -0.993 4.5-177.0-126.7 128.7 2.6 42.9 26.6 61 85 A A E -B 25 0A 0 -36,-2.7 -36,-1.8 -2,-0.4 2,-0.2 -0.904 13.5-169.6-123.6 104.0 2.7 39.5 24.8 62 86 A P E -B 24 0A 0 0, 0.0 -25,-0.6 0, 0.0 2,-0.5 -0.501 24.5-118.5 -87.6 159.0 5.7 38.9 22.5 63 87 A D - 0 0 0 -40,-2.5 -40,-0.3 -2,-0.2 3,-0.1 -0.831 40.2-110.3 -86.1 132.9 6.4 36.2 20.0 64 88 A L > - 0 0 0 -2,-0.5 3,-2.5 1,-0.2 6,-0.4 -0.319 51.3 -76.4 -58.2 145.4 9.5 34.2 21.0 65 89 A P T 3 S+ 0 0 0 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.179 121.1 10.9 -47.9 127.7 12.5 34.8 18.7 66 90 A G T 3 S+ 0 0 0 5,-0.7 144,-0.2 4,-0.6 2,-0.2 0.064 114.0 92.5 91.1 -22.9 11.9 32.9 15.4 67 91 A L S X S- 0 0 4 -3,-2.5 3,-2.4 4,-0.2 -1,-0.3 -0.584 88.4 -6.6-103.7 163.3 8.3 32.1 16.2 68 92 A G T 3 S- 0 0 1 1,-0.3 136,-0.1 -2,-0.2 -26,-0.0 -0.302 131.0 -29.7 53.0-131.0 5.2 34.0 15.3 69 93 A Q T 3 S+ 0 0 29 2,-0.1 2,-0.4 138,-0.0 -1,-0.3 0.145 110.3 111.9-105.0 20.4 6.2 37.3 13.7 70 94 A S < - 0 0 1 -3,-2.4 -4,-0.6 -6,-0.4 -48,-0.2 -0.761 68.5-117.8 -95.5 138.5 9.5 37.6 15.6 71 95 A E - 0 0 73 -50,-2.7 -5,-0.7 -2,-0.4 -4,-0.2 -0.321 40.1 -93.3 -65.9 152.4 12.9 37.3 13.9 72 96 A P - 0 0 46 0, 0.0 -51,-0.2 0, 0.0 -6,-0.2 -0.263 49.7 -92.1 -60.5 156.3 15.3 34.5 15.1 73 97 A P - 0 0 15 0, 0.0 4,-0.1 0, 0.0 9,-0.1 -0.361 24.1-149.7 -67.9 149.9 17.8 35.3 17.8 74 98 A K S S+ 0 0 137 -56,-0.2 3,-0.1 2,-0.1 -55,-0.0 0.677 93.3 41.2 -93.6 -20.8 21.2 36.4 16.6 75 99 A T S S- 0 0 90 1,-0.3 2,-0.3 6,-0.1 7,-0.1 0.937 118.0 -72.9 -86.5 -72.6 23.1 34.9 19.6 76 100 A G - 0 0 14 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.970 29.9 -99.8-173.8-175.6 21.5 31.6 20.2 77 101 A Y S S+ 0 0 32 -2,-0.3 140,-0.2 136,-0.2 144,-0.0 0.330 72.3 118.6-107.9 3.9 18.5 29.6 21.5 78 102 A S S > S- 0 0 0 1,-0.1 4,-2.6 138,-0.1 5,-0.3 -0.317 78.1-106.9 -65.8 158.6 19.7 28.7 25.0 79 103 A G H > S+ 0 0 1 138,-0.3 4,-2.4 1,-0.2 35,-0.2 0.891 118.4 49.6 -55.4 -46.3 17.6 30.0 27.9 80 104 A E H > S+ 0 0 54 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.895 112.8 47.7 -64.1 -39.7 20.2 32.5 29.0 81 105 A Q H > S+ 0 0 59 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.936 115.5 42.6 -66.5 -47.6 20.6 33.9 25.4 82 106 A V H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.7 0.879 105.9 63.4 -68.5 -35.5 16.9 34.2 24.7 83 107 A A H 3X S+ 0 0 2 -4,-2.4 4,-3.1 -5,-0.3 5,-0.3 0.831 93.8 62.9 -60.3 -32.6 16.1 35.7 28.1 84 108 A V H 3X S+ 0 0 53 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.3 0.927 103.5 48.6 -55.8 -44.4 18.3 38.7 27.3 85 109 A Y H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 3,-0.8 0.966 111.7 45.9 -63.4 -49.9 12.0 44.2 25.7 90 114 A A H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-1.0 0.907 109.7 54.8 -57.7 -44.0 10.1 44.3 29.0 91 115 A R H 3< S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.703 96.6 65.5 -69.9 -18.3 12.5 47.0 30.4 92 116 A Q H << S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.860 112.8 34.3 -63.0 -35.9 11.8 49.2 27.4 93 117 A F H << S+ 0 0 60 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.645 132.3 31.1 -95.2 -18.4 8.2 49.5 28.6 94 118 A S >< + 0 0 13 -4,-1.5 3,-0.5 -5,-0.2 -1,-0.2 -0.505 68.4 153.7-137.9 66.3 9.0 49.4 32.3 95 119 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.700 78.7 28.3 -73.3 -20.7 12.5 51.0 32.8 96 120 A D T 3 S+ 0 0 136 2,-0.1 -5,-0.0 1,-0.1 -2,-0.0 0.191 115.0 56.9-129.2 15.7 12.1 52.2 36.4 97 121 A R S < S- 0 0 172 -3,-0.5 -1,-0.1 -6,-0.1 -65,-0.1 -0.993 83.2-106.2-143.0 147.8 9.6 49.7 37.9 98 122 A P - 0 0 62 0, 0.0 -66,-0.3 0, 0.0 2,-0.3 -0.372 37.3-149.3 -67.1 154.0 9.5 46.0 38.3 99 123 A F E - e 0 122A 0 22,-2.8 24,-2.5 -68,-0.1 25,-0.4 -0.799 11.8-111.3-122.2 164.9 7.1 44.1 36.0 100 124 A D E -d 33 0A 9 -68,-2.9 -66,-2.7 -2,-0.3 2,-0.4 -0.651 26.7-152.1 -93.9 154.0 5.1 40.8 36.4 101 125 A L E +de 34 125A 0 23,-2.2 25,-2.6 -2,-0.2 2,-0.4 -0.990 15.3 179.0-132.6 129.9 5.9 37.7 34.3 102 126 A V E +de 35 126A 0 -68,-2.7 -66,-3.0 -2,-0.4 2,-0.4 -0.999 15.3 177.1-123.7 127.8 3.6 34.9 33.2 103 127 A A E -de 36 127A 0 23,-2.5 25,-2.1 -2,-0.4 2,-0.4 -0.993 14.5-161.2-139.0 142.8 5.2 32.1 31.1 104 128 A H E > - e 0 128A 0 -68,-2.4 3,-2.4 -2,-0.4 25,-0.2 -0.954 58.2 -36.9-121.2 134.8 3.9 28.8 29.6 105 129 A D T >> S+ 0 0 15 23,-2.3 3,-2.7 -2,-0.4 4,-0.7 -0.187 134.6 5.6 58.7-133.8 5.9 25.8 28.5 106 130 A I H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.651 117.1 80.6 -63.4 -8.9 9.2 26.8 26.8 107 131 A G H <4 S+ 0 0 0 -3,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.831 91.2 53.7 -58.4 -31.6 8.3 30.4 27.8 108 132 A I H X> S+ 0 0 0 -3,-2.7 4,-2.6 2,-0.2 3,-1.3 0.930 104.9 51.2 -65.8 -48.6 9.7 29.2 31.2 109 133 A W H 3< S+ 0 0 5 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.2 0.876 112.3 48.5 -55.4 -37.6 13.0 28.1 29.7 110 134 A N T 3< S+ 0 0 1 -4,-1.9 -24,-0.3 1,-0.2 -1,-0.3 0.460 119.3 35.4 -89.4 -1.1 13.4 31.4 28.0 111 135 A T T X> S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.3 3,-0.7 0.649 91.6 83.0-120.3 -26.4 12.7 33.6 31.0 112 136 A Y H 3X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.3 5,-0.3 0.900 91.0 52.1 -53.6 -47.0 14.1 31.8 34.0 113 137 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.870 110.5 47.9 -59.6 -35.2 17.7 33.1 33.6 114 138 A M H <> S+ 0 0 3 -3,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.836 110.9 52.1 -77.2 -26.0 16.6 36.7 33.4 115 139 A V H < S+ 0 0 0 -4,-1.9 3,-0.3 -3,-0.2 7,-0.2 0.949 113.3 42.9 -67.8 -47.4 14.4 36.3 36.5 116 140 A V H >< S+ 0 0 13 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.846 118.1 45.2 -70.4 -32.5 17.2 34.9 38.6 117 141 A K H 3< S+ 0 0 99 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.649 124.4 32.6 -84.7 -16.2 19.8 37.4 37.3 118 142 A N T >< + 0 0 49 -4,-1.1 3,-2.1 -3,-0.3 4,-0.4 -0.331 69.1 154.9-133.8 53.2 17.5 40.4 37.7 119 143 A Q G X S+ 0 0 40 -3,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.801 71.1 59.1 -56.9 -34.8 15.3 39.6 40.7 120 144 A A G 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.701 100.2 58.8 -68.0 -17.8 14.6 43.2 41.5 121 145 A D G < S+ 0 0 26 -3,-2.1 -22,-2.8 -6,-0.2 2,-0.6 0.591 94.1 74.7 -84.2 -12.0 13.0 43.7 38.1 122 146 A I E < +e 99 0A 4 -3,-1.3 -22,-0.2 -4,-0.4 3,-0.1 -0.888 52.9 179.1-110.2 109.3 10.4 41.0 38.6 123 147 A A E S- 0 0 41 -24,-2.5 2,-0.3 -2,-0.6 -23,-0.2 0.964 71.9 -3.9 -73.4 -52.6 7.5 41.8 40.9 124 148 A R E - 0 0 29 -25,-0.4 -23,-2.2 111,-0.1 2,-0.4 -0.972 66.9-149.5-143.6 153.5 5.5 38.6 40.7 125 149 A L E -ef 101 237A 0 111,-2.1 113,-2.4 -2,-0.3 2,-0.4 -0.979 9.8-174.1-133.7 132.9 6.0 35.4 38.7 126 150 A V E -ef 102 238A 0 -25,-2.6 -23,-2.5 -2,-0.4 2,-0.4 -0.977 9.8-178.0-128.9 117.3 3.6 32.8 37.3 127 151 A Y E -ef 103 239A 0 111,-2.3 113,-2.1 -2,-0.4 2,-0.4 -0.944 4.7-177.1-114.0 138.0 5.0 29.7 35.6 128 152 A M E -ef 104 240A 0 -25,-2.1 -23,-2.3 -2,-0.4 113,-0.2 -0.989 48.1 -8.3-141.2 133.9 2.8 26.9 34.0 129 153 A Q S S+ 0 0 1 111,-1.5 -1,-0.1 -2,-0.4 112,-0.1 0.848 97.3 73.5 62.4 49.2 3.3 23.6 32.3 130 154 A A S S- 0 0 3 -25,-0.1 2,-0.2 -26,-0.1 -1,-0.0 -0.795 74.4-108.1-173.5 147.6 7.0 22.9 31.8 131 155 A P - 0 0 3 0, 0.0 -22,-0.1 0, 0.0 121,-0.1 -0.538 34.0-116.3 -71.9 142.8 10.0 22.0 33.8 132 156 A I - 0 0 0 -2,-0.2 2,-0.4 120,-0.1 5,-0.2 -0.615 53.3 -92.2 -62.6 134.0 12.7 24.6 34.4 133 157 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 92,-0.1 -0.420 80.3 116.9 -60.3 114.6 15.6 23.0 32.6 134 158 A D S > S- 0 0 12 -2,-0.4 3,-2.0 91,-0.1 4,-0.3 -0.910 81.9 -67.9-160.2-174.4 17.6 21.0 35.1 135 159 A A G > S+ 0 0 66 1,-0.3 3,-1.4 -2,-0.3 4,-0.2 0.688 116.0 77.3 -61.5 -18.0 18.7 17.4 35.8 136 160 A R G > S+ 0 0 88 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.781 81.1 67.7 -60.7 -28.2 15.0 16.4 36.6 137 161 A I G X S+ 0 0 0 -3,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.747 91.0 62.2 -68.7 -19.2 14.3 16.3 32.9 138 162 A Y G < S+ 0 0 50 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.526 95.0 62.8 -81.9 -5.1 16.5 13.3 32.5 139 163 A R G < S+ 0 0 213 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.574 75.9 106.2 -95.7 -9.7 14.2 11.3 34.8 140 164 A F S < S- 0 0 26 -3,-0.7 299,-2.8 -4,-0.4 300,-0.4 -0.463 75.8-111.6 -69.7 142.1 11.1 11.4 32.7 141 165 A P B -H 438 0B 42 0, 0.0 10,-0.4 0, 0.0 11,-0.1 -0.442 7.1-143.5 -80.0 146.9 10.3 8.1 30.9 142 166 A A S S+ 0 0 0 295,-2.9 2,-0.3 1,-0.2 310,-0.3 0.776 88.8 19.1 -71.4 -28.7 10.6 7.5 27.2 143 167 A F S S- 0 0 10 294,-0.5 2,-0.3 291,-0.2 -1,-0.2 -0.995 71.8-152.0-150.9 134.1 7.5 5.2 27.2 144 168 A T - 0 0 30 -2,-0.3 5,-0.1 3,-0.2 3,-0.1 -0.773 20.9-133.2-115.7 159.0 4.6 4.7 29.6 145 169 A A S S+ 0 0 34 -2,-0.3 2,-0.3 1,-0.2 730,-0.1 0.838 96.6 21.8 -74.1 -37.5 2.3 1.8 30.5 146 170 A Q S S- 0 0 78 727,-0.1 -1,-0.2 728,-0.1 2,-0.1 -0.977 124.0 -2.7-133.9 149.0 -0.8 4.0 30.3 147 171 A G S S- 0 0 16 725,-0.4 2,-0.3 -2,-0.3 -3,-0.2 -0.478 100.0 -63.8 69.3-143.8 -1.4 7.2 28.5 148 172 A E - 0 0 29 -2,-0.1 98,-0.2 34,-0.1 -5,-0.1 -0.993 48.6 -89.8-144.1 147.7 1.7 8.6 26.7 149 173 A S - 0 0 2 -2,-0.3 3,-0.3 -7,-0.2 4,-0.2 -0.333 32.4-146.2 -54.9 128.7 5.2 9.8 27.7 150 174 A L S S+ 0 0 48 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.797 88.4 26.0 -71.4 -31.6 5.0 13.6 28.2 151 175 A V S >> S+ 0 0 6 -10,-0.4 3,-2.0 1,-0.1 4,-0.5 0.207 73.6 114.2-128.6 21.3 8.5 14.5 26.9 152 176 A W H >> S+ 0 0 8 -3,-0.3 4,-1.4 1,-0.3 3,-0.9 0.819 75.7 70.1 -55.5 -27.2 9.7 11.9 24.4 153 177 A H H 3> S+ 0 0 10 1,-0.3 4,-2.9 -4,-0.2 5,-0.3 0.730 80.5 73.5 -66.6 -19.9 9.4 14.8 21.9 154 178 A F H <> S+ 0 0 8 -3,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.939 102.2 41.8 -54.8 -46.2 12.5 16.4 23.6 155 179 A S H S+ 0 0 118 1,-0.2 3,-1.5 2,-0.2 4,-0.1 0.028 91.2 48.7 -66.2 178.1 20.7 15.7 14.7 161 185 A D T 3 S- 0 0 106 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 0.708 122.2 -82.4 65.2 17.6 20.5 15.9 10.9 162 186 A R T 3> S+ 0 0 135 -3,-0.3 4,-2.5 -4,-0.1 -1,-0.3 0.896 75.4 167.3 52.0 42.7 17.4 18.2 11.3 163 187 A L H <> + 0 0 0 -3,-1.5 4,-2.2 -4,-0.4 5,-0.2 0.928 68.1 43.9 -52.8 -53.9 15.4 15.0 11.8 164 188 A A H > S+ 0 0 0 -8,-0.5 4,-2.8 -5,-0.3 5,-0.3 0.931 115.5 46.2 -65.2 -46.3 12.2 16.7 13.0 165 189 A E H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 112.9 51.3 -62.4 -39.6 12.2 19.5 10.4 166 190 A T H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.4 39.5 -67.0 -38.2 12.9 17.1 7.6 167 191 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.869 120.0 44.4 -76.1 -37.4 10.0 14.8 8.6 168 192 A I H >< S+ 0 0 0 -4,-2.8 3,-2.8 -5,-0.2 7,-0.2 0.761 82.1 110.5 -86.1 -25.0 7.5 17.5 9.5 169 193 A A T 3< S+ 0 0 50 -4,-2.3 34,-0.0 1,-0.3 -4,-0.0 -0.259 90.7 14.7 -52.3 129.4 8.1 19.9 6.6 170 194 A G T 3 S+ 0 0 70 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.339 124.1 65.8 83.4 -5.1 4.9 19.8 4.4 171 195 A K <> + 0 0 43 -3,-2.8 4,-2.7 2,-0.1 5,-0.2 0.009 59.2 121.5-133.7 25.3 3.0 18.1 7.2 172 196 A E H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.864 74.3 50.9 -63.0 -39.3 3.0 20.9 9.7 173 197 A R H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 113.4 45.2 -69.3 -42.0 -0.8 21.1 10.0 174 198 A F H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.933 115.0 48.1 -61.2 -50.0 -1.1 17.3 10.6 175 199 A F H X S+ 0 0 3 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.927 109.9 50.3 -61.3 -45.2 1.7 17.3 13.1 176 200 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.891 108.9 51.6 -66.3 -37.5 0.5 20.2 15.2 177 201 A E H X S+ 0 0 39 -4,-1.6 4,-2.4 -5,-0.2 5,-0.3 0.948 114.0 44.3 -63.8 -45.0 -3.0 18.9 15.5 178 202 A H H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.938 115.4 47.9 -62.7 -45.6 -1.6 15.5 16.7 179 203 A F H X S+ 0 0 11 -4,-3.2 4,-0.9 -5,-0.2 -2,-0.2 0.955 115.3 43.7 -61.8 -50.0 0.9 17.2 19.1 180 204 A I H >< S+ 0 0 0 -4,-3.0 3,-1.0 -5,-0.2 93,-0.2 0.965 117.4 43.7 -61.7 -50.8 -1.6 19.6 20.6 181 205 A K H >< S+ 0 0 27 -4,-2.4 3,-1.7 -5,-0.3 -1,-0.2 0.872 108.4 58.1 -66.1 -35.0 -4.4 17.1 21.1 182 206 A S H 3< S+ 0 0 12 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.724 110.3 45.4 -66.3 -19.2 -2.1 14.4 22.4 183 207 A H T << S+ 0 0 11 -3,-1.0 90,-2.7 -4,-0.9 91,-0.3 0.227 103.7 89.1-104.8 12.4 -1.1 16.8 25.2 184 208 A A < - 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0 0 5 -7,-0.6 3,-0.3 -294,-0.1 4,-0.2 -0.300 21.4-102.7 -88.2 175.6 17.9 8.7 24.2 447 174 B L S S+ 0 0 60 1,-0.2 3,-0.2 2,-0.1 -8,-0.1 0.833 109.8 24.0 -69.9 -36.7 17.8 5.0 23.1 448 175 B V S > S+ 0 0 8 -10,-0.4 3,-2.0 1,-0.1 4,-0.5 0.177 74.6 114.1-127.1 22.3 14.1 4.3 23.1 449 176 B W T >> S+ 0 0 5 -3,-0.3 4,-1.6 1,-0.3 3,-1.1 0.824 74.8 71.9 -56.9 -27.1 12.2 7.5 22.6 450 177 B H H 3> S+ 0 0 9 1,-0.3 4,-3.1 -4,-0.2 5,-0.3 0.732 79.6 72.3 -62.9 -21.8 11.2 5.9 19.3 451 178 B F H <> S+ 0 0 9 -3,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.928 104.8 39.6 -56.2 -44.9 9.0 3.5 21.3 452 179 B S H <> S+ 0 0 3 -3,-1.1 4,-1.4 -4,-0.5 -2,-0.2 0.894 115.0 51.6 -71.6 -43.0 6.6 6.5 21.9 453 180 B F H < S+ 0 0 0 -4,-1.6 8,-0.5 1,-0.2 3,-0.4 0.947 115.6 41.8 -56.6 -49.2 7.0 7.9 18.4 454 181 B F H < S+ 0 0 0 -4,-3.1 59,-0.2 1,-0.2 -1,-0.2 0.806 115.3 50.0 -72.5 -30.5 6.2 4.5 16.8 455 182 B A H < S+ 0 0 20 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.669 84.6 115.1 -81.9 -16.8 3.3 3.8 19.2 456 183 B A < - 0 0 0 -4,-1.4 5,-0.3 -3,-0.4 4,-0.3 -0.119 63.1-126.5 -56.2 148.2 1.6 7.1 18.7 457 184 B D S > S+ 0 0 3 1,-0.2 3,-1.6 2,-0.2 328,-0.1 0.033 84.2 64.6 -82.6-163.3 -1.8 7.1 17.1 458 185 B D T 3 S- 0 0 37 326,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.657 122.2 -83.3 57.6 18.8 -3.1 9.0 14.1 459 186 B R T 3> S+ 0 0 90 -3,-0.3 4,-2.5 -4,-0.1 -1,-0.3 0.908 77.3 167.1 49.4 45.3 -0.5 7.0 12.1 460 187 B L H <> + 0 0 1 -3,-1.6 4,-2.3 -4,-0.3 5,-0.3 0.936 68.1 43.7 -55.3 -54.7 2.0 9.6 13.3 461 188 B A H > S+ 0 0 0 -8,-0.5 4,-2.3 -5,-0.3 5,-0.3 0.920 115.7 46.7 -61.2 -46.8 5.1 7.7 12.3 462 189 B E H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 113.2 50.1 -61.9 -38.7 3.8 6.5 8.8 463 190 B T H < S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 116.7 38.4 -70.7 -42.0 2.6 10.0 8.0 464 191 B L H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.816 121.2 44.6 -78.0 -30.3 5.8 11.8 8.8 465 192 B I H >< S+ 0 0 0 -4,-2.3 3,-3.0 -5,-0.3 7,-0.2 0.803 83.9 105.0 -88.6 -29.3 8.1 9.1 7.5 466 193 B A T 3< S+ 0 0 45 -4,-2.4 34,-0.0 -5,-0.3 -4,-0.0 -0.256 92.2 18.3 -52.1 132.1 6.3 8.4 4.2 467 194 B G T 3 S+ 0 0 64 33,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.242 125.3 61.1 86.2 -14.3 8.3 9.9 1.4 468 195 B K <> + 0 0 85 -3,-3.0 4,-2.7 2,-0.1 5,-0.2 -0.063 61.8 125.3-130.6 30.6 11.4 10.1 3.7 469 196 B E H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 75.9 46.0 -64.1 -42.2 11.9 6.4 4.4 470 197 B R H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 114.2 49.3 -66.2 -45.1 15.5 6.3 3.3 471 198 B F H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.939 114.4 44.6 -57.3 -50.4 16.4 9.5 5.2 472 199 B F H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.919 111.8 50.8 -65.3 -43.7 14.7 8.3 8.4 473 200 B L H X S+ 0 0 1 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.897 109.3 51.2 -65.8 -38.9 16.2 4.8 8.3 474 201 B E H X S+ 0 0 49 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.940 113.2 45.2 -61.7 -45.8 19.7 6.1 7.9 475 202 B H H X S+ 0 0 10 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.929 115.5 47.7 -62.2 -43.7 19.3 8.4 10.8 476 203 B F H X S+ 0 0 11 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.941 115.2 43.6 -62.9 -49.4 17.7 5.7 12.9 477 204 B I H >< S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 93,-0.2 0.966 117.6 44.1 -62.6 -51.4 20.3 3.0 12.1 478 205 B K H >< S+ 0 0 55 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.867 108.3 57.8 -66.6 -34.1 23.3 5.3 12.5 479 206 B S H 3< S+ 0 0 25 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.756 112.6 42.1 -65.9 -22.0 22.0 6.9 15.7 480 207 B H T << S+ 0 0 10 -4,-1.0 90,-2.7 -3,-0.9 2,-0.3 0.259 105.2 89.1-104.8 11.6 21.9 3.5 17.3 481 208 B A < - 0 0 3 -3,-1.4 3,-0.2 88,-0.2 87,-0.1 -0.729 49.7-169.6-109.2 154.2 25.2 2.4 15.9 482 209 B S S S+ 0 0 36 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.727 94.5 44.0 -97.1 -45.5 28.8 2.6 17.0 483 210 B N > + 0 0 40 1,-0.2 3,-0.9 59,-0.1 -1,-0.2 -0.751 65.7 167.5-102.2 85.1 30.3 1.5 13.7 484 211 B T G > + 0 0 58 -2,-1.0 3,-1.6 1,-0.2 -1,-0.2 0.727 65.3 74.7 -68.9 -22.0 28.3 3.5 11.2 485 212 B E G 3 S+ 0 0 134 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.723 79.6 69.5 -68.9 -21.5 30.6 2.6 8.3 486 213 B V G < S+ 0 0 48 -3,-0.9 2,-1.0 1,-0.2 -1,-0.3 0.631 85.9 78.9 -72.3 -10.2 29.4 -1.0 8.0 487 214 B F S < S- 0 0 4 -3,-1.6 -1,-0.2 -4,-0.1 -9,-0.0 -0.735 72.9-167.4-101.2 85.2 26.2 0.6 6.6 488 215 B S > - 0 0 60 -2,-1.0 4,-2.1 1,-0.1 5,-0.2 -0.216 35.6-109.8 -65.6 159.9 27.0 1.4 3.0 489 216 B E H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.889 120.9 54.9 -58.0 -38.0 24.6 3.7 1.1 490 217 B R H > S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 106.5 48.5 -61.5 -47.1 23.7 0.6 -1.0 491 218 B L H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.912 111.6 49.9 -60.5 -42.4 22.7 -1.5 2.1 492 219 B L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.866 107.4 55.6 -65.2 -35.6 20.6 1.4 3.4 493 220 B D H X S+ 0 0 67 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.927 108.1 48.3 -59.6 -45.8 18.9 1.6 0.0 494 221 B L H X S+ 0 0 9 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.924 115.3 42.5 -64.4 -46.0 18.0 -2.1 0.2 495 222 B Y H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.900 114.0 52.7 -67.9 -39.9 16.5 -1.9 3.7 496 223 B A H X S+ 0 0 6 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.894 106.9 51.5 -64.4 -38.5 14.8 1.4 3.0 497 224 B R H < S+ 0 0 132 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.866 110.4 50.6 -68.7 -29.9 13.0 0.1 -0.1 498 225 B S H >< S+ 0 0 2 -4,-1.3 3,-1.1 1,-0.2 -2,-0.2 0.959 114.2 39.6 -71.9 -51.0 11.7 -2.9 1.8 499 226 B Y H 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.634 103.0 72.5 -79.8 -8.2 10.2 -1.1 4.8 500 227 B A T 3< + 0 0 25 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.652 66.5 111.2 -77.4 -18.6 8.9 1.7 2.5 501 228 B K S X> S- 0 0 49 -3,-1.1 4,-2.7 -4,-0.4 3,-1.0 -0.395 81.8-123.1 -51.3 126.7 6.2 -0.7 1.1 502 229 B P H 3> S+ 0 0 106 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.861 109.7 46.4 -49.9 -43.4 3.1 0.9 2.6 503 230 B H H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.804 115.2 47.9 -69.1 -27.5 2.0 -2.3 4.4 504 231 B S H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.820 108.7 52.6 -79.9 -33.6 5.5 -2.9 5.7 505 232 B L H X S+ 0 0 7 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.954 115.4 42.4 -66.5 -46.1 5.9 0.7 7.0 506 233 B N H X S+ 0 0 19 -4,-2.2 4,-2.0 -5,-0.3 3,-0.3 0.936 112.1 53.6 -62.6 -46.3 2.6 0.3 8.8 507 234 B A H X S+ 0 0 0 -4,-2.1 4,-1.4 -144,-0.3 -1,-0.2 0.907 102.2 60.6 -55.2 -43.7 3.5 -3.2 10.1 508 235 B S H < S+ 0 0 1 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.904 110.8 38.4 -49.4 -49.0 6.8 -1.9 11.5 509 236 B F H >X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 3,-0.8 0.788 102.6 69.8 -80.0 -26.5 5.0 0.5 13.8 510 237 B E H 3X S+ 0 0 12 -4,-2.0 4,-1.3 1,-0.3 -1,-0.2 0.833 91.5 62.7 -60.6 -31.5 2.1 -1.9 14.7 511 238 B Y H 3< S+ 0 0 2 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.895 108.5 42.1 -57.0 -38.0 4.7 -3.9 16.6 512 239 B Y H X4 S+ 0 0 2 -3,-0.8 3,-1.3 -4,-0.5 4,-0.4 0.837 107.1 59.4 -78.6 -32.2 5.2 -0.9 18.9 513 240 B R H 3< S+ 0 0 46 -4,-2.1 4,-0.2 1,-0.3 -1,-0.2 0.741 110.3 45.4 -67.5 -19.1 1.5 -0.1 19.1 514 241 B A T 3X S+ 0 0 9 -4,-1.3 4,-2.5 -5,-0.2 -138,-0.3 0.398 85.1 100.4 -99.5 4.1 1.1 -3.6 20.6 515 242 B L H <> S+ 0 0 1 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 0.888 80.6 48.3 -62.1 -44.3 4.1 -3.2 22.9 516 243 B N H > S+ 0 0 28 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.889 111.7 51.7 -63.4 -35.7 2.1 -2.4 26.1 517 244 B E H > S+ 0 0 36 2,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.912 109.0 50.5 -64.7 -40.9 -0.2 -5.4 25.3 518 245 B S H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.897 107.8 53.2 -62.6 -41.0 2.9 -7.6 25.0 519 246 B V H X S+ 0 0 14 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.931 110.8 46.9 -58.1 -44.5 4.1 -6.3 28.3 520 247 B R H X S+ 0 0 52 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.888 112.0 50.0 -66.9 -38.6 0.8 -7.3 29.9 521 248 B Q H >X S+ 0 0 28 -4,-2.5 4,-1.9 1,-0.2 3,-0.8 0.913 110.3 51.1 -61.4 -43.4 0.9 -10.7 28.2 522 249 B N H 3X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.777 95.0 70.3 -71.4 -25.0 4.4 -11.3 29.4 523 250 B A H 3< S+ 0 0 65 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 108.9 36.7 -58.2 -36.1 3.5 -10.4 33.0 524 251 B E H X< S+ 0 0 35 -3,-0.8 3,-1.5 -4,-0.8 -2,-0.2 0.908 116.1 52.0 -80.0 -46.0 1.5 -13.7 33.1 525 252 B L H >< S+ 0 0 23 -4,-1.9 3,-2.0 1,-0.3 -2,-0.2 0.838 96.5 68.0 -59.3 -35.5 3.9 -15.8 31.0 526 253 B A T 3< S+ 0 0 41 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.472 74.3 85.6 -73.3 0.9 7.0 -14.9 33.1 527 254 B K T < S+ 0 0 160 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.673 86.1 66.0 -69.5 -16.4 5.6 -16.9 36.0 528 255 B T S < S- 0 0 80 -3,-2.0 -1,-0.1 -4,-0.2 2,-0.0 -0.940 87.2-140.4-108.7 114.8 7.3 -19.8 34.2 529 256 B R - 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