==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-11 3TN6 . COMPND 2 MOLECULE: PHOSPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR J.AN,Z.ZHANG,Y.ZHANG,Y.FENG,G.WU . 642 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.7 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 4 0 1 3 4 2 2 2 0 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 4 2 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 PARALLEL BRIDGES PER LADDER . 3 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 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 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 3 A E 0 0 174 0, 0.0 11,-2.6 0, 0.0 12,-0.4 0.000 360.0 360.0 360.0 -3.4 21.2 14.2 15.5 2 4 A M E -A 11 0A 92 9,-0.3 2,-0.4 10,-0.1 0, 0.0 -0.847 360.0-163.6-119.1 151.8 17.8 12.4 15.7 3 5 A V E -A 10 0A 12 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.998 26.9-116.0-133.1 139.2 16.6 9.2 17.4 4 6 A E E +A 9 0A 45 -2,-0.4 2,-0.2 5,-0.2 88,-0.2 -0.615 38.3 174.9 -76.1 120.3 13.4 7.2 16.7 5 7 A T E > -A 8 0A 1 3,-2.2 3,-1.8 -2,-0.5 133,-0.5 -0.634 50.3 -94.9-111.5 176.7 11.0 7.2 19.6 6 8 A V T 3 S+ 0 0 2 84,-2.7 74,-0.1 1,-0.3 85,-0.1 0.641 129.7 48.1 -67.2 -13.9 7.5 5.7 19.9 7 9 A C T 3 S- 0 0 74 1,-0.4 -1,-0.3 83,-0.3 84,-0.1 0.180 125.1 -97.1-108.0 13.1 6.2 9.2 19.0 8 10 A G E < S-A 5 0A 19 -3,-1.8 -3,-2.2 130,-0.2 -1,-0.4 -0.582 73.7 -6.4 105.0-168.3 8.6 9.7 16.0 9 11 A P E -A 4 0A 76 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.442 60.6-177.1 -68.1 130.3 12.0 11.3 15.6 10 12 A V E -A 3 0A 20 -7,-2.5 -7,-2.2 -2,-0.2 5,-0.1 -0.993 33.2-103.8-129.4 134.8 13.3 13.3 18.5 11 13 A P E > -A 2 0A 33 0, 0.0 3,-1.5 0, 0.0 -9,-0.3 -0.347 23.0-136.0 -56.7 133.8 16.5 15.4 18.7 12 14 A V G > S+ 0 0 3 -11,-2.6 3,-1.3 1,-0.3 4,-0.4 0.818 104.3 62.1 -61.9 -33.0 19.3 13.6 20.7 13 15 A E G 3 S+ 0 0 173 -12,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.673 101.1 54.6 -64.6 -19.0 20.1 16.8 22.5 14 16 A Q G < S+ 0 0 120 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.416 82.4 87.7 -97.7 -0.9 16.5 16.9 23.9 15 17 A L < + 0 0 2 -3,-1.3 47,-0.3 -4,-0.2 74,-0.2 0.885 62.2 164.2 -66.3 -41.1 16.7 13.4 25.5 16 18 A G + 0 0 18 -4,-0.4 2,-0.2 -3,-0.2 -1,-0.1 -0.235 51.6 18.5 61.9-143.2 18.1 14.7 28.8 17 19 A K S S- 0 0 58 43,-0.5 45,-2.6 299,-0.1 46,-1.8 -0.451 82.0-171.0 -66.0 124.7 18.1 12.5 31.9 18 20 A T E -b 63 0B 4 294,-2.5 2,-0.6 -2,-0.2 46,-0.2 -0.939 31.6-148.8-129.9 138.2 17.6 8.9 30.7 19 21 A L E -b 64 0B 0 44,-2.1 46,-2.6 -2,-0.4 3,-0.3 -0.952 19.3-159.5 -98.8 119.2 16.9 5.4 32.1 20 22 A I S S+ 0 0 4 239,-0.7 2,-0.2 -2,-0.6 240,-0.1 0.627 73.1 28.1 -79.2 -16.2 18.6 3.0 29.8 21 23 A H S S+ 0 0 0 238,-0.2 241,-2.2 45,-0.1 240,-0.6 -0.708 71.8 129.8-154.8 94.1 16.7 -0.2 30.6 22 24 A E - 0 0 0 43,-1.9 2,-0.5 -3,-0.3 46,-0.2 -0.990 37.2-142.6-141.0 149.5 13.1 -0.3 31.9 23 25 A H E -d 264 0C 2 240,-2.2 242,-2.3 -2,-0.3 243,-0.2 -0.960 15.7-179.2-116.0 125.8 10.0 -2.3 30.9 24 26 A F E S+ 0 0 0 -2,-0.5 242,-1.1 1,-0.3 2,-0.4 0.881 87.0 19.5 -78.8 -44.7 6.4 -0.9 30.9 25 27 A L E S+d 266 0C 4 240,-0.2 -1,-0.3 239,-0.1 2,-0.3 -0.970 72.4 161.6-123.0 143.4 5.2 -4.3 29.7 26 28 A F E +d 267 0C 9 240,-1.6 242,-2.9 -2,-0.4 2,-0.3 -0.934 7.0 175.5-157.7 138.7 6.8 -7.7 29.8 27 29 A G - 0 0 0 45,-1.9 242,-0.1 -2,-0.3 47,-0.1 -0.997 32.7-117.2-141.9 140.9 5.7 -11.3 29.5 28 30 A Y > - 0 0 31 240,-0.4 3,-1.7 -2,-0.3 74,-0.1 -0.604 52.6 -89.5 -71.7 132.7 7.6 -14.6 29.4 29 31 A P T 3 S+ 0 0 1 0, 0.0 400,-2.0 0, 0.0 -1,-0.1 -0.163 118.1 43.7 -44.8 127.5 7.0 -16.5 26.1 30 32 A G T > S+ 0 0 0 398,-0.2 3,-0.9 399,-0.1 4,-0.3 0.175 76.4 109.8 113.2 -13.1 3.9 -18.6 26.5 31 33 A F G X + 0 0 32 -3,-1.7 3,-1.3 1,-0.2 7,-0.1 0.795 69.5 66.9 -61.7 -29.4 1.9 -16.0 28.3 32 34 A Q G > S+ 0 0 53 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.810 94.5 56.7 -62.0 -33.5 -0.3 -15.7 25.2 33 35 A G G < S+ 0 0 1 -3,-0.9 3,-0.3 1,-0.2 -1,-0.3 0.572 99.7 59.7 -75.8 -10.8 -1.6 -19.2 25.7 34 36 A D G <> + 0 0 0 -3,-1.3 4,-2.4 -4,-0.3 3,-0.3 -0.109 67.7 125.3-106.3 33.1 -2.9 -18.3 29.2 35 37 A V T <4 + 0 0 52 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.785 62.2 62.4 -65.2 -31.7 -5.2 -15.6 27.8 36 38 A T T 4 S+ 0 0 27 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.914 121.9 19.1 -63.3 -45.5 -8.4 -17.0 29.5 37 39 A R T 4 S+ 0 0 83 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.635 131.0 47.5-100.4 -19.1 -7.1 -16.5 33.1 38 40 A G S < S+ 0 0 6 -4,-2.4 231,-0.5 -7,-0.1 -1,-0.2 -0.426 78.8 171.3-119.8 56.3 -4.3 -14.0 32.4 39 41 A T - 0 0 51 -3,-0.3 2,-0.8 1,-0.1 -3,-0.1 -0.272 39.1-111.8 -66.8 149.1 -6.1 -11.5 30.2 40 42 A F - 0 0 69 228,-0.1 2,-1.1 -5,-0.1 -1,-0.1 -0.764 26.0-161.7 -85.1 108.3 -4.5 -8.2 29.2 41 43 A R > - 0 0 138 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 -0.769 8.9-175.7 -92.3 93.2 -6.4 -5.4 30.9 42 44 A E H > S+ 0 0 77 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.851 76.1 52.4 -63.4 -41.6 -5.2 -2.4 28.9 43 45 A D H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 116.1 39.5 -61.4 -48.5 -7.0 0.3 30.8 44 46 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.881 115.9 52.8 -67.5 -40.3 -5.5 -0.8 34.2 45 47 A S H X S+ 0 0 10 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.882 108.7 49.7 -62.7 -41.2 -2.2 -1.5 32.6 46 48 A L H X S+ 0 0 22 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.902 108.9 52.8 -63.5 -42.8 -2.0 2.0 31.0 47 49 A R H X S+ 0 0 127 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.897 112.7 43.9 -58.9 -44.2 -2.8 3.5 34.4 48 50 A V H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.908 114.9 48.8 -67.6 -43.9 0.0 1.6 36.1 49 51 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.863 112.6 47.7 -64.9 -39.1 2.4 2.4 33.2 50 52 A V H X S+ 0 0 29 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.897 111.1 51.2 -67.6 -41.9 1.5 6.1 33.3 51 53 A E H X S+ 0 0 89 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.861 110.1 50.1 -62.6 -37.9 1.9 6.2 37.1 52 54 A A H X S+ 0 0 5 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.896 110.9 49.0 -64.7 -42.4 5.4 4.6 36.6 53 55 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.842 109.3 52.0 -66.4 -36.2 6.3 7.2 34.0 54 56 A E H X S+ 0 0 57 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.805 106.0 55.1 -69.8 -31.6 5.1 10.0 36.3 55 57 A K H < S+ 0 0 68 -4,-1.4 4,-0.5 2,-0.2 -2,-0.2 0.847 109.5 47.0 -66.9 -36.8 7.3 8.6 39.1 56 58 A M H ><>S+ 0 0 0 -4,-1.4 5,-2.0 1,-0.2 3,-1.3 0.909 109.0 53.8 -69.0 -44.7 10.3 8.8 36.7 57 59 A K H ><5S+ 0 0 81 -4,-2.1 3,-1.5 1,-0.3 -2,-0.2 0.798 98.4 65.5 -58.1 -32.9 9.4 12.4 35.7 58 60 A R T 3<5S+ 0 0 165 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.779 104.5 45.0 -60.3 -30.3 9.4 13.3 39.4 59 61 A H T < 5S- 0 0 45 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.189 129.7 -92.8-103.2 13.6 13.1 12.6 39.5 60 62 A G T < 5S+ 0 0 39 -3,-1.5 -43,-0.5 1,-0.3 2,-0.3 0.458 71.3 153.0 94.6 3.4 13.9 14.5 36.3 61 63 A I < + 0 0 3 -5,-2.0 -1,-0.3 1,-0.2 -43,-0.2 -0.496 11.6 165.4 -70.2 128.7 13.7 11.6 33.8 62 64 A Q + 0 0 102 -45,-2.6 27,-3.0 -47,-0.3 2,-0.4 0.561 63.5 40.1-114.1 -20.3 12.7 12.7 30.3 63 65 A T E -bc 18 89B 0 -46,-1.8 -44,-2.1 25,-0.2 2,-0.4 -0.992 56.4-173.7-138.3 139.7 13.6 9.6 28.3 64 66 A V E -bc 19 90B 0 25,-2.9 27,-2.5 -2,-0.4 2,-0.7 -0.999 16.7-145.9-132.5 131.1 13.3 5.8 28.8 65 67 A V E - c 0 91B 0 -46,-2.6 -43,-1.9 -2,-0.4 27,-0.2 -0.882 15.0-167.1 -92.9 117.7 14.7 3.0 26.7 66 68 A D E - c 0 92B 3 25,-3.1 27,-0.7 -2,-0.7 -43,-0.1 -0.891 7.9-179.1-107.8 100.8 12.3 0.1 26.7 67 69 A P + 0 0 0 0, 0.0 -44,-0.1 0, 0.0 25,-0.1 -0.092 16.1 160.4 -96.2 36.0 14.1 -3.0 25.3 68 70 A T - 0 0 6 -46,-0.2 25,-0.3 1,-0.1 27,-0.1 -0.396 43.6-117.0 -57.4 120.3 11.2 -5.5 25.6 69 71 A P > > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 5,-1.1 -0.224 15.1-115.7 -62.4 151.8 12.0 -8.3 23.1 70 72 A N T 3 5S+ 0 0 9 25,-3.6 3,-0.5 1,-0.3 26,-0.2 0.782 118.4 47.0 -54.7 -33.3 9.8 -9.0 20.1 71 73 A D T 3 5S+ 0 0 2 24,-0.4 -1,-0.3 1,-0.2 25,-0.1 0.308 102.0 67.7 -94.3 8.1 9.0 -12.5 21.6 72 74 A C T < 5S- 0 0 0 -3,-1.9 -45,-1.9 -43,-0.1 -1,-0.2 -0.004 125.1 -81.0-118.5 27.1 8.3 -11.1 25.1 73 75 A G T 5 - 0 0 17 -3,-0.5 -3,-0.1 1,-0.2 -2,-0.1 0.723 59.5-175.4 84.8 24.7 5.1 -9.1 24.4 74 76 A R < - 0 0 33 -5,-1.1 -1,-0.2 -47,-0.1 -48,-0.1 -0.285 2.3-176.4 -52.0 129.3 6.6 -5.9 22.9 75 77 A N > + 0 0 54 -50,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.717 13.2 174.9-137.1 83.6 3.8 -3.4 22.3 76 78 A P H > S+ 0 0 9 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.842 82.6 55.5 -58.6 -38.4 4.9 -0.2 20.6 77 79 A A H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.857 107.3 49.8 -63.8 -37.8 1.4 1.2 20.3 78 80 A F H > S+ 0 0 1 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.889 109.2 51.9 -65.2 -41.8 0.9 0.8 24.1 79 81 A L H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.854 105.2 56.0 -63.3 -37.0 4.1 2.6 24.7 80 82 A R H X S+ 0 0 73 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.884 104.7 52.9 -60.9 -40.7 3.0 5.5 22.5 81 83 A R H X S+ 0 0 96 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.871 110.3 47.5 -62.4 -39.6 -0.1 5.8 24.6 82 84 A V H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 6,-0.3 0.913 114.5 46.7 -65.0 -44.8 2.1 6.1 27.7 83 85 A A H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.838 110.7 51.5 -68.6 -36.6 4.3 8.7 26.0 84 86 A E H < S+ 0 0 135 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 113.2 45.8 -69.9 -31.3 1.4 10.7 24.7 85 87 A E H < S+ 0 0 140 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.777 126.3 27.1 -80.6 -29.6 -0.1 10.9 28.2 86 88 A T H < S- 0 0 9 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.690 93.5-126.3-108.8 -26.4 3.1 11.8 30.0 87 89 A G < + 0 0 61 -4,-2.4 2,-0.2 1,-0.3 -4,-0.1 0.477 61.1 144.7 85.1 3.9 5.3 13.6 27.5 88 90 A L - 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0 0 14 48,-0.2 3,-0.8 46,-0.1 4,-0.2 -0.319 48.8 -99.8 -74.6 163.4 6.0 -30.0 23.7 422 101 B E G > S+ 0 0 58 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.850 115.5 56.7 -53.6 -46.6 9.2 -28.2 24.8 423 102 B G G 3 S+ 0 0 48 1,-0.3 -1,-0.2 3,-0.1 47,-0.0 0.784 125.5 20.0 -60.6 -33.5 11.1 -28.3 21.5 424 103 B E G < S+ 0 0 51 -3,-0.8 -1,-0.3 -320,-0.0 -2,-0.2 -0.017 116.2 80.4-126.1 27.5 8.4 -26.5 19.5 425 104 B G S < S- 0 0 2 -3,-1.1 -4,-0.1 -4,-0.2 -3,-0.1 -0.513 82.0-109.3-117.3-172.2 6.5 -24.9 22.4 426 105 B A > + 0 0 4 -2,-0.2 3,-0.6 1,-0.1 4,-0.4 -0.674 43.5 161.8-121.2 76.6 6.9 -21.8 24.6 427 106 B P T 3> + 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.708 49.6 87.7 -71.1 -22.4 7.8 -23.2 28.0 428 107 B P H 3> S+ 0 0 9 0, 0.0 4,-1.9 0, 0.0 -398,-0.2 0.813 86.8 54.8 -50.4 -37.4 9.3 -20.1 29.8 429 108 B Y H <> S+ 0 0 7 -400,-2.0 4,-1.5 -3,-0.6 -399,-0.1 0.962 116.7 32.0 -61.4 -58.2 5.9 -18.9 31.1 430 109 B F H > S+ 0 0 0 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.658 114.2 61.8 -78.8 -15.6 4.8 -22.1 32.9 431 110 B Q H X S+ 0 0 53 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.865 105.6 48.2 -69.2 -38.5 8.4 -23.0 33.8 432 111 B F H X S+ 0 0 43 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.882 110.9 49.6 -65.8 -40.7 8.4 -19.7 35.7 433 112 B R H X>S+ 0 0 12 -4,-1.5 5,-2.4 1,-0.2 6,-1.5 0.719 104.1 60.0 -72.6 -21.8 5.1 -20.6 37.4 434 113 B R H <5S+ 0 0 112 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.871 103.5 50.9 -68.7 -39.0 6.6 -24.0 38.3 435 114 B L H <5S+ 0 0 147 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.812 109.3 50.6 -65.2 -32.9 9.2 -22.1 40.3 436 115 B L H <5S- 0 0 42 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.745 115.0-123.0 -73.7 -26.5 6.4 -20.2 42.0 437 116 B G T <5S+ 0 0 59 -4,-1.0 -3,-0.2 -5,-0.1 -2,-0.1 0.651 89.7 89.9 92.8 20.2 4.7 -23.6 42.7 438 117 B T >< + 0 0 51 -5,-2.4 4,-2.8 -8,-0.1 3,-0.4 0.539 50.2 99.8-119.7 -13.8 1.4 -22.9 41.0 439 118 B A H > S+ 0 0 2 -6,-1.5 4,-2.7 1,-0.2 5,-0.2 0.848 83.8 46.7 -46.9 -55.0 1.9 -24.1 37.4 440 119 B E H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 117.2 44.0 -60.7 -41.3 0.2 -27.5 37.6 441 120 B D H > S+ 0 0 96 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.855 113.2 52.7 -69.0 -36.8 -2.8 -26.0 39.4 442 121 B D H X S+ 0 0 20 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.877 109.2 49.1 -64.1 -40.5 -2.8 -23.1 36.9 443 122 B I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.910 111.8 47.7 -67.0 -45.0 -2.8 -25.5 34.0 444 123 B Y H X S+ 0 0 40 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.910 111.6 51.6 -59.5 -44.4 -5.7 -27.5 35.4 445 124 B D H X S+ 0 0 49 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.885 111.1 48.1 -58.5 -42.5 -7.5 -24.2 36.1 446 125 B M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 111.0 50.1 -63.8 -47.5 -6.9 -23.2 32.5 447 126 B F H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.940 113.0 45.8 -56.2 -50.8 -8.1 -26.6 31.2 448 127 B M H X S+ 0 0 37 -4,-2.7 4,-2.3 1,-0.2 5,-0.4 0.898 113.0 49.8 -61.5 -43.8 -11.4 -26.5 33.2 449 128 B A H X>S+ 0 0 1 -4,-2.2 5,-3.0 1,-0.2 4,-1.8 0.893 114.9 43.4 -61.7 -42.2 -12.1 -22.9 32.2 450 129 B E H <5S+ 0 0 0 -4,-2.4 12,-3.1 3,-0.2 -1,-0.2 0.714 118.6 44.0 -81.9 -20.2 -11.6 -23.6 28.5 451 130 B L H <5S+ 0 0 15 -4,-1.8 -2,-0.2 10,-0.2 -1,-0.2 0.792 129.7 21.2 -88.0 -33.2 -13.6 -26.8 28.6 452 131 B T H <5S+ 0 0 62 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.608 134.8 23.0-115.1 -18.4 -16.5 -25.7 30.7 453 132 B E T <5S- 0 0 121 -4,-1.8 -3,-0.2 -5,-0.4 2,-0.2 0.761 106.7 -84.7-116.7 -55.9 -16.7 -21.9 30.5 454 133 B G < - 0 0 10 -5,-3.0 2,-0.6 4,-0.0 7,-0.2 -0.716 31.7 -87.1 153.0 157.0 -15.0 -20.6 27.4 455 134 B I S >> S- 0 0 3 5,-2.5 3,-2.3 -2,-0.2 4,-0.5 -0.812 82.6 -55.7 -91.9 121.1 -11.8 -19.5 25.7 456 135 B A T 34 S- 0 0 40 -2,-0.6 3,-0.2 1,-0.3 -417,-0.0 -0.207 110.2 -34.2 46.9-125.0 -11.0 -15.8 26.4 457 136 B D T 34 S+ 0 0 161 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.184 117.2 96.7-107.0 14.2 -14.0 -13.7 25.2 458 137 B T T <4 S- 0 0 27 -3,-2.3 -2,-0.1 2,-0.2 -1,-0.1 0.775 81.0-136.5 -75.5 -28.3 -14.9 -15.9 22.3 459 138 B G < + 0 0 62 -4,-0.5 2,-0.4 1,-0.3 -3,-0.1 0.512 62.1 131.7 78.9 6.4 -17.6 -17.9 24.1 460 139 B I - 0 0 4 -5,-0.5 -5,-2.5 -130,-0.1 2,-0.4 -0.785 46.0-151.9 -96.2 130.2 -16.1 -21.0 22.5 461 140 B K - 0 0 57 -133,-0.5 -46,-0.4 -2,-0.4 -10,-0.2 -0.815 20.4-116.8 -98.5 141.3 -15.4 -24.1 24.6 462 141 B A - 0 0 3 -12,-3.1 -46,-0.2 -2,-0.4 -135,-0.2 -0.504 17.0-162.0 -70.9 143.2 -12.6 -26.6 23.8 463 142 B G S S+ 0 0 9 -48,-2.4 32,-0.9 -2,-0.2 2,-0.3 0.562 72.2 33.8-102.0 -15.0 -13.8 -30.1 22.9 464 143 B V E S-pq 416 495J 0 -49,-1.4 -47,-1.6 30,-0.1 2,-0.5 -0.947 71.9-127.6-136.4 157.4 -10.4 -31.8 23.4 465 144 B I E -pq 417 496J 0 30,-2.8 32,-2.9 -2,-0.3 2,-0.5 -0.942 26.0-145.1-103.6 126.0 -7.3 -31.5 25.6 466 145 B X E + q 0 497J 1 -49,-2.4 -47,-0.4 -2,-0.5 2,-0.3 -0.820 20.5 178.8 -95.0 124.9 -4.1 -31.3 23.6 467 146 B L E - 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0 0 7 -5,-2.5 -1,-0.2 -6,-0.1 -32,-0.1 -0.412 49.1-110.0 -73.9 149.8 -7.5 -41.1 32.6 519 198 B D > - 0 0 69 1,-0.1 3,-1.8 -2,-0.1 -1,-0.1 -0.716 17.0-151.9 -83.5 119.1 -10.1 -43.0 30.5 520 199 B P G > S+ 0 0 37 0, 0.0 3,-1.4 0, 0.0 26,-0.5 0.831 96.8 59.3 -58.6 -34.7 -8.4 -45.1 27.7 521 200 B K G 3 S+ 0 0 146 1,-0.3 24,-0.1 24,-0.2 23,-0.1 0.450 105.9 50.6 -74.5 -0.3 -11.5 -44.9 25.6 522 201 B K G < S+ 0 0 19 -3,-1.8 -26,-3.2 121,-0.1 2,-0.4 0.215 94.9 90.6-117.8 10.4 -11.1 -41.1 25.7 523 202 B I E < -r 496 0J 0 -3,-1.4 23,-2.8 -28,-0.2 2,-0.5 -0.924 50.0-169.7-116.4 132.0 -7.4 -40.9 24.6 524 203 B V E -rs 497 546J 1 -28,-2.8 -26,-2.4 -2,-0.4 2,-0.7 -0.963 13.5-151.6-117.8 111.5 -5.9 -40.7 21.1 525 204 B I E - s 0 547J 0 21,-3.1 23,-2.5 -2,-0.5 3,-0.4 -0.750 27.2-152.0 -81.1 113.6 -2.2 -41.2 20.9 526 205 B G + 0 0 0 -2,-0.7 -26,-0.1 21,-0.2 23,-0.1 -0.306 61.2 26.7 -90.8 169.3 -1.1 -39.1 17.9 527 206 B H > + 0 0 2 -28,-0.1 3,-1.4 1,-0.1 -24,-0.4 0.754 67.6 144.8 52.6 32.8 1.7 -39.3 15.3 528 207 B M G > + 0 0 0 20,-1.9 3,-1.5 -3,-0.4 21,-0.2 0.725 59.8 71.9 -70.7 -22.6 1.9 -43.0 15.8 529 208 B C G 3 S+ 0 0 1 19,-0.7 -1,-0.3 1,-0.3 20,-0.1 0.601 76.6 82.0 -66.6 -12.9 2.7 -43.4 12.0 530 209 B G G < S+ 0 0 22 -3,-1.4 2,-0.4 28,-0.1 -1,-0.3 0.620 86.4 66.2 -66.8 -14.8 6.1 -41.8 12.9 531 210 B N < - 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0 0 20 -5,-1.9 -1,-0.3 -8,-0.1 -2,-0.1 -0.676 37.3-136.5 -78.3 118.8 -9.5 -52.8 2.7 627 308 B R > - 0 0 161 -2,-0.6 4,-1.6 1,-0.1 3,-0.5 -0.239 16.4-112.5 -74.9 162.0 -13.3 -52.9 2.7 628 309 B D H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.846 115.1 58.0 -61.7 -38.0 -15.6 -49.8 2.9 629 310 B E H > S+ 0 0 94 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.786 105.5 50.3 -66.1 -29.2 -16.9 -50.9 6.4 630 311 B V H > S+ 0 0 20 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.894 112.8 46.2 -72.2 -42.7 -13.4 -50.8 7.8 631 312 B L H X S+ 0 0 11 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.868 112.2 50.8 -66.4 -39.0 -12.8 -47.4 6.3 632 313 B E H X>S+ 0 0 106 -4,-2.6 4,-2.3 1,-0.2 5,-2.1 0.807 105.8 57.0 -68.3 -31.6 -16.1 -46.2 7.7 633 314 B Q H <>S+ 0 0 51 -4,-1.2 5,-3.1 3,-0.2 -2,-0.2 0.911 111.1 42.6 -62.9 -43.8 -15.2 -47.5 11.1 634 315 B M H <5S+ 0 0 1 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.888 124.4 33.4 -70.5 -41.9 -12.0 -45.4 11.2 635 316 B F H <5S+ 0 0 8 -4,-2.1 -294,-2.5 3,-0.1 -2,-0.2 0.750 138.3 10.7 -90.4 -27.7 -13.6 -42.2 9.8 636 317 B I T X5S+ 0 0 63 -4,-2.3 4,-1.6 -296,-0.2 -3,-0.2 0.751 126.1 47.1-117.4 -53.1 -17.2 -42.3 11.2 637 318 B G H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.876 113.0 51.1 -61.6 -35.8 -14.8 -40.5 16.2 640 321 B A H X S+ 0 0 32 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.891 113.8 43.5 -65.3 -41.5 -18.5 -41.2 17.3 641 322 B A H < S+ 0 0 50 -4,-2.0 3,-0.3 2,-0.2 -1,-0.2 0.846 110.9 56.4 -71.6 -35.9 -17.3 -43.7 19.9 642 323 B L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.8 40.0 -62.0 -46.4 -14.5 -41.5 21.1 643 324 B F H < S+ 0 0 13 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 0.499 102.4 89.1 -86.3 -4.7 -16.7 -38.5 21.9 644 325 B S < 0 0 47 -4,-0.5 -318,-0.0 -3,-0.3 -4,-0.0 -0.686 360.0 360.0 -92.6 148.2 -19.5 -40.7 23.4 645 326 B A 0 0 138 -2,-0.3 -2,-0.1 -123,-0.0 -1,-0.1 -0.478 360.0 360.0 -73.5 360.0 -19.7 -41.7 27.1