==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-11 3QU7 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Y.PATSKOVSKY,H.HUANG,R.TORO,J.A.GERLT,S.K.BURLEY,D.DUNAWAY-M . 445 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 4 0 0 3 3 1 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 5 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 4 A K 0 0 219 0, 0.0 2,-0.1 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0-175.0 9.4 21.2 5.3 2 5 A L + 0 0 32 1,-0.1 162,-0.2 218,-0.1 161,-0.1 -0.271 360.0 154.1 -73.8 134.6 5.8 20.1 5.4 3 6 A K + 0 0 112 160,-3.1 102,-2.6 1,-0.3 2,-0.3 0.544 66.8 25.6-120.3 -25.3 4.6 16.5 5.3 4 7 A A E -ab 105 164A 1 159,-1.9 161,-1.0 100,-0.3 2,-0.4 -0.983 52.8-148.2-147.9 152.0 1.2 16.7 7.1 5 8 A V E -ab 106 165A 0 100,-2.3 102,-2.3 -2,-0.3 2,-0.8 -0.993 17.2-152.9-124.7 125.3 -1.7 18.9 8.0 6 9 A L E -ab 107 166A 0 159,-3.0 161,-2.4 -2,-0.4 2,-0.5 -0.859 15.5-161.3-107.2 101.5 -3.5 18.1 11.2 7 10 A F E -ab 108 167A 0 100,-2.9 102,-2.5 -2,-0.8 161,-0.1 -0.735 12.1-140.5 -89.8 128.2 -7.1 19.2 11.0 8 11 A D - 0 0 6 159,-2.2 102,-0.2 -2,-0.5 3,-0.1 -0.348 17.7-147.4 -63.5 162.3 -9.3 19.8 14.0 9 12 A M S >>>S+ 0 0 0 100,-0.4 4,-2.7 3,-0.2 5,-1.9 0.869 70.1 64.9-101.9 -66.9 -12.8 18.5 13.4 10 13 A N B 345S+f 14 0B 17 1,-0.3 159,-0.2 2,-0.2 -1,-0.2 -0.482 122.6 3.0 -69.2 115.2 -15.6 20.5 15.1 11 14 A G T 345S+ 0 0 0 3,-3.0 -1,-0.3 -2,-0.4 178,-0.2 0.453 133.1 57.7 90.4 1.1 -15.7 24.0 13.6 12 15 A V T <45S+ 0 0 0 -3,-1.9 -2,-0.2 2,-0.3 -3,-0.2 0.604 122.8 12.8-125.9 -51.6 -13.0 23.2 11.1 13 16 A L T <5S+ 0 0 0 -4,-2.7 76,-2.8 1,-0.3 2,-0.4 0.836 134.4 34.3 -93.5 -45.5 -14.2 20.2 9.0 14 17 A F B > + 0 0 0 -2,-1.7 4,-2.2 70,-0.2 3,-0.6 0.557 34.9 91.7-104.6 -14.0 -21.1 21.5 14.3 17 20 A M H 3> S+ 0 0 13 -3,-0.3 4,-2.7 1,-0.2 5,-0.3 0.812 78.6 58.2 -64.6 -36.6 -20.4 24.1 17.0 18 21 A P H 3> S+ 0 0 59 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.904 114.4 43.1 -54.5 -36.6 -23.8 25.9 17.1 19 22 A Y H <> S+ 0 0 54 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.914 113.8 48.1 -74.0 -46.2 -25.2 22.4 18.0 20 23 A H H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.921 115.0 46.2 -60.0 -45.4 -22.5 21.4 20.4 21 24 A S H X S+ 0 0 5 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.914 114.2 47.5 -65.1 -44.0 -22.7 24.7 22.3 22 25 A E H X S+ 0 0 51 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.918 113.1 48.0 -62.7 -46.6 -26.5 24.6 22.4 23 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.903 112.6 48.9 -62.1 -43.7 -26.6 21.0 23.6 24 27 A W H X S+ 0 0 23 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.868 113.6 47.2 -61.6 -41.0 -24.0 21.6 26.3 25 28 A H H X S+ 0 0 26 -4,-2.1 4,-1.3 -5,-0.2 10,-0.3 0.912 115.6 43.8 -66.0 -45.7 -25.9 24.7 27.5 26 29 A Q H X S+ 0 0 60 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.847 112.2 50.6 -72.6 -38.0 -29.3 23.0 27.6 27 30 A V H X S+ 0 0 6 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.910 112.1 47.1 -68.8 -42.0 -28.2 19.7 29.2 28 31 A M H <>S+ 0 0 0 -4,-1.5 5,-3.1 -5,-0.2 -1,-0.2 0.813 108.4 57.0 -65.9 -33.1 -26.4 21.5 32.1 29 32 A K H ><5S+ 0 0 131 -4,-1.3 3,-1.3 3,-0.2 -1,-0.2 0.869 103.3 53.7 -63.4 -40.3 -29.5 23.8 32.5 30 33 A T H 3<5S+ 0 0 108 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 108.4 49.5 -65.4 -32.7 -31.6 20.6 33.1 31 34 A H T 3<5S- 0 0 74 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.278 122.1-108.2 -89.6 9.6 -29.2 19.5 35.8 32 35 A G T < 5S+ 0 0 60 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.622 78.8 125.6 75.7 15.4 -29.4 23.0 37.4 33 36 A L < - 0 0 8 -5,-3.1 2,-0.7 -6,-0.1 -1,-0.3 -0.781 58.9-122.4-106.8 150.1 -25.9 24.1 36.4 34 37 A D + 0 0 124 -2,-0.3 2,-0.3 21,-0.2 -9,-0.1 -0.829 41.2 149.8 -96.7 116.0 -24.9 27.2 34.5 35 38 A L - 0 0 3 -2,-0.7 -6,-0.1 -10,-0.3 -7,-0.1 -0.894 31.5-151.8-136.4 108.6 -22.9 26.8 31.3 36 39 A S > - 0 0 31 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.351 27.3-111.1 -73.1 160.7 -23.6 29.6 28.9 37 40 A R H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.916 121.3 51.2 -54.0 -47.5 -23.3 29.1 25.1 38 41 A E H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 108.8 50.5 -57.2 -46.4 -20.3 31.4 25.1 39 42 A E H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.855 106.7 55.3 -61.8 -36.2 -18.7 29.4 27.9 40 43 A A H < S+ 0 0 3 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.916 107.6 49.9 -61.4 -42.6 -19.4 26.2 25.9 41 44 A Y H >< S+ 0 0 27 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.871 107.7 53.2 -61.9 -38.8 -17.4 27.8 23.0 42 45 A M H 3< S+ 0 0 78 -4,-1.9 130,-0.4 1,-0.2 -1,-0.2 0.853 110.9 47.5 -65.5 -33.4 -14.6 28.6 25.4 43 46 A H T >< S+ 0 0 25 -4,-1.8 3,-2.0 -5,-0.1 -1,-0.2 0.381 82.4 137.8 -88.0 3.8 -14.5 24.9 26.5 44 47 A E T < + 0 0 14 -3,-1.0 128,-0.4 -4,-0.3 129,-0.3 -0.222 65.8 27.8 -49.5 129.7 -14.5 23.7 22.8 45 48 A G T 3 S+ 0 0 19 1,-0.4 99,-0.5 127,-0.1 -1,-0.2 0.100 89.9 122.0 105.2 -22.2 -12.1 20.8 22.3 46 49 A R S < S- 0 0 51 -3,-2.0 -1,-0.4 97,-0.1 97,-0.1 -0.347 71.2-100.1 -66.8 152.6 -12.2 19.5 25.9 47 50 A T > - 0 0 27 95,-0.4 4,-2.3 97,-0.3 5,-0.2 -0.350 33.8-112.5 -63.5 153.5 -13.2 15.9 26.6 48 51 A G H > S+ 0 0 16 63,-0.3 4,-2.5 1,-0.2 5,-0.2 0.900 118.4 52.4 -55.4 -43.8 -16.9 15.5 27.9 49 52 A A H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.895 110.3 47.1 -60.0 -44.5 -15.6 14.4 31.3 50 53 A S H > S+ 0 0 30 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 111.7 50.9 -65.3 -41.2 -13.3 17.5 31.6 51 54 A T H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.930 113.8 44.4 -60.5 -48.8 -16.2 19.8 30.5 52 55 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 112.8 51.6 -63.6 -44.7 -18.5 18.3 33.1 53 56 A N H X S+ 0 0 38 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.746 108.1 51.8 -66.6 -26.0 -15.9 18.4 35.8 54 57 A I H X S+ 0 0 23 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.903 111.0 46.9 -73.2 -43.2 -15.1 22.1 35.2 55 58 A V H < S+ 0 0 9 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.874 116.2 45.9 -65.6 -39.1 -18.8 23.0 35.5 56 59 A F H >X>S+ 0 0 8 -4,-2.2 4,-3.0 1,-0.2 5,-0.8 0.893 113.1 47.8 -69.6 -43.5 -19.2 21.0 38.7 57 60 A Q H 3X5S+ 0 0 83 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.848 112.3 47.8 -71.2 -35.7 -16.0 22.2 40.4 58 61 A R H 3<5S+ 0 0 183 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.540 124.8 31.0 -83.9 -7.1 -16.6 25.9 39.8 59 62 A E H <45S+ 0 0 86 -3,-0.6 -2,-0.2 -4,-0.4 -3,-0.2 0.733 135.2 19.2-117.1 -43.5 -20.2 25.7 41.0 60 63 A L H <5S- 0 0 93 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.1 0.506 91.7-125.4-112.0 -10.6 -20.5 22.9 43.6 61 64 A G S < - 0 0 73 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.453 27.6-106.2 -79.6 163.5 -18.9 11.1 39.5 66 69 A Q H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 123.6 52.5 -57.0 -38.5 -18.4 8.6 36.6 67 70 A E H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 111.4 46.5 -65.1 -39.9 -22.1 7.8 36.7 68 71 A E H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.852 111.9 50.5 -69.9 -39.1 -22.9 11.5 36.4 69 72 A I H X S+ 0 0 16 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.948 113.1 46.2 -61.8 -49.6 -20.4 12.1 33.6 70 73 A E H X S+ 0 0 120 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.886 114.2 47.8 -61.4 -42.0 -21.8 9.1 31.7 71 74 A S H X S+ 0 0 50 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.895 113.5 45.6 -67.0 -44.9 -25.4 10.3 32.2 72 75 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 114.8 47.5 -68.6 -42.5 -24.8 13.9 31.2 73 76 A Y H X S+ 0 0 62 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.890 110.0 53.7 -64.7 -40.7 -22.8 13.0 28.1 74 77 A H H X S+ 0 0 126 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.916 111.9 45.2 -55.7 -47.8 -25.5 10.5 27.1 75 78 A E H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.869 111.2 53.0 -63.6 -41.5 -28.1 13.3 27.3 76 79 A K H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.920 107.8 51.1 -63.0 -44.0 -25.8 15.7 25.5 77 80 A S H X S+ 0 0 21 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.874 109.1 50.2 -59.9 -43.2 -25.3 13.3 22.6 78 81 A I H X S+ 0 0 102 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.904 113.9 45.6 -62.7 -42.8 -29.1 12.7 22.2 79 82 A L H >< S+ 0 0 48 -4,-1.9 3,-0.8 2,-0.2 4,-0.5 0.906 111.5 51.4 -69.8 -43.6 -29.7 16.4 22.1 80 83 A F H >< S+ 0 0 6 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.935 111.6 48.7 -53.8 -47.8 -26.9 17.1 19.6 81 84 A N H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.530 94.7 73.1 -76.3 -5.6 -28.3 14.4 17.3 82 85 A S T << S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.664 86.4 79.7 -79.5 -17.6 -31.8 15.8 17.5 83 86 A Y S < S- 0 0 44 -3,-1.2 3,-0.1 -4,-0.5 267,-0.1 -0.554 104.3 -81.5 -84.8 152.5 -30.7 18.7 15.2 84 87 A P - 0 0 11 0, 0.0 265,-0.3 0, 0.0 -1,-0.1 -0.293 69.5 -86.5 -48.9 135.8 -30.3 18.4 11.4 85 88 A E - 0 0 21 263,-2.1 -4,-0.1 1,-0.1 2,-0.0 -0.107 48.7 -96.7 -59.4 146.4 -26.9 16.9 10.9 86 89 A A - 0 0 3 -3,-0.1 2,-0.2 1,-0.1 -70,-0.2 -0.353 40.0-143.6 -62.6 136.1 -23.9 19.2 10.8 87 90 A E - 0 0 41 -72,-0.4 -72,-3.2 1,-0.1 -1,-0.1 -0.498 30.6 -77.3 -97.4 168.8 -22.8 20.1 7.3 88 91 A R B -G 14 0B 35 -74,-0.2 -74,-0.3 -2,-0.2 -1,-0.1 -0.326 45.9-110.4 -61.6 144.9 -19.2 20.6 6.0 89 92 A M > - 0 0 18 -76,-2.8 3,-2.1 -77,-0.1 4,-0.5 -0.688 44.8-105.9 -70.7 126.2 -17.4 23.9 6.8 90 93 A P T 3 S+ 0 0 96 0, 0.0 120,-0.4 0, 0.0 119,-0.3 -0.349 106.1 22.9 -57.0 134.2 -17.2 25.8 3.5 91 94 A G T 3> S+ 0 0 9 118,-0.2 4,-2.4 119,-0.1 5,-0.2 0.093 94.3 100.5 94.2 -22.4 -13.7 25.6 2.2 92 95 A A H <> S+ 0 0 0 -3,-2.1 4,-2.5 2,-0.2 5,-0.2 0.949 85.2 44.2 -62.4 -47.4 -12.7 22.5 4.2 93 96 A W H > S+ 0 0 59 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.924 113.7 50.5 -63.0 -44.7 -13.1 20.1 1.2 94 97 A E H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 112.1 47.5 -62.0 -41.9 -11.3 22.5 -1.2 95 98 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.902 110.1 52.4 -63.8 -42.6 -8.3 22.8 1.3 96 99 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.916 110.3 48.5 -59.8 -42.8 -8.2 19.0 1.7 97 100 A Q H X S+ 0 0 93 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.903 112.2 50.2 -58.9 -42.9 -8.0 18.7 -2.1 98 101 A K H X S+ 0 0 44 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.919 112.3 44.5 -63.9 -46.9 -5.3 21.3 -2.2 99 102 A V H <>S+ 0 0 0 -4,-2.9 5,-2.7 2,-0.2 -1,-0.2 0.860 114.6 48.7 -71.2 -32.7 -3.1 19.7 0.5 100 103 A K H ><5S+ 0 0 100 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 0.894 108.0 54.8 -72.5 -37.5 -3.5 16.2 -0.9 101 104 A S H 3<5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 106.4 53.3 -62.5 -28.1 -2.6 17.6 -4.4 102 105 A E T 3<5S- 0 0 81 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.286 123.2-107.6 -90.5 9.4 0.6 19.0 -2.8 103 106 A G T < 5S+ 0 0 64 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.636 71.3 142.7 77.2 17.2 1.4 15.5 -1.4 104 107 A L < - 0 0 17 -5,-2.7 -100,-0.3 -6,-0.1 -1,-0.3 -0.612 51.5-119.9 -88.8 151.3 0.7 16.3 2.2 105 108 A T E -a 4 0A 61 -102,-2.6 -100,-2.3 -2,-0.2 2,-0.3 -0.819 21.4-142.0 -95.0 115.2 -0.9 13.8 4.6 106 109 A P E +a 5 0A 8 0, 0.0 2,-0.3 0, 0.0 24,-0.3 -0.559 24.8 177.1 -71.6 135.1 -4.3 14.9 6.1 107 110 A M E -a 6 0A 0 -102,-2.3 -100,-2.9 -2,-0.3 2,-0.4 -0.930 21.7-136.1-131.0 158.7 -4.8 13.9 9.7 108 111 A V E -ac 7 134A 0 25,-1.1 27,-2.8 -2,-0.3 2,-0.4 -0.972 16.7-179.0-115.9 133.5 -7.7 14.5 12.2 109 112 A V E + c 0 135A 0 -102,-2.5 -100,-0.4 -2,-0.4 2,-0.3 -0.920 21.4 158.2-130.9 107.5 -7.1 15.6 15.8 110 113 A T - 0 0 3 25,-2.6 -2,-0.0 -2,-0.4 -102,-0.0 -0.926 48.0-146.4-133.3 150.8 -10.3 16.0 17.7 111 114 A G S S+ 0 0 16 -2,-0.3 -63,-0.3 25,-0.1 2,-0.2 0.366 72.3 114.1 -86.9 1.6 -11.6 16.0 21.3 112 115 A S + 0 0 10 1,-0.1 25,-2.3 -65,-0.1 26,-0.3 -0.445 41.2 175.5 -81.5 144.7 -14.8 14.5 19.9 113 116 A G + 0 0 13 23,-0.2 2,-1.1 24,-0.2 -1,-0.1 0.047 39.7 137.2-119.4 17.9 -16.1 11.0 20.6 114 117 A Q >> - 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0 0 25 -5,-3.7 2,-0.2 -6,-0.1 -1,-0.2 -0.901 48.7-134.2-124.1 142.8 -55.4 10.5 0.6 385 163 B K > - 0 0 147 -2,-0.4 3,-1.8 1,-0.1 4,-0.2 -0.608 40.7-109.1 -78.4 156.1 -57.7 11.8 -2.1 386 164 B A G > S+ 0 0 33 1,-0.3 3,-0.9 -2,-0.2 22,-0.4 0.785 117.1 56.7 -59.2 -30.6 -55.8 13.7 -4.9 387 165 B D G 3 S+ 0 0 86 1,-0.2 -1,-0.3 20,-0.1 -161,-0.1 0.300 96.4 63.8 -87.1 8.2 -57.2 17.1 -3.7 388 166 B E G < S+ 0 0 38 -3,-1.8 -160,-3.2 -161,-0.1 -159,-2.1 0.337 99.8 63.6-106.9 2.5 -55.8 16.7 -0.2 389 167 B A E < -i 229 0C 1 -3,-0.9 19,-0.6 -162,-0.2 2,-0.4 -0.867 59.8-156.4-127.8 155.5 -52.2 16.7 -1.3 390 168 B V E -ik 230 408C 0 -161,-1.4 -159,-3.7 -2,-0.3 2,-0.5 -0.997 16.9-139.7-129.9 138.3 -49.7 18.9 -3.0 391 169 B V E -ik 231 409C 0 17,-2.6 19,-3.1 -2,-0.4 2,-0.7 -0.841 6.0-157.0 -97.5 128.1 -46.6 17.7 -4.9 392 170 B I E +ik 232 410C 0 -161,-2.8 -159,-2.3 -2,-0.5 2,-0.3 -0.919 29.1 162.5-104.2 111.1 -43.3 19.6 -4.6 393 171 B E E - k 0 411C 1 17,-2.3 19,-2.6 -2,-0.7 -157,-0.1 -0.796 32.9-173.0-128.1 165.6 -41.1 18.8 -7.7 394 172 B N + 0 0 8 -2,-0.3 21,-0.3 17,-0.2 20,-0.2 0.392 66.6 66.1-137.2 -1.3 -38.1 20.3 -9.4 395 173 B A S > S- 0 0 2 1,-0.1 4,-2.6 18,-0.1 3,-0.3 -0.956 77.3-121.4-134.7 143.3 -37.7 18.3 -12.7 396 174 B P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.866 111.4 47.9 -55.9 -40.1 -39.9 18.1 -15.8 397 175 B L H > S+ 0 0 16 -128,-0.4 4,-1.9 -130,-0.3 -127,-0.1 0.883 115.1 46.3 -70.8 -33.8 -40.5 14.3 -15.7 398 176 B G H > S+ 0 0 1 -129,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.859 110.9 51.2 -72.8 -39.0 -41.4 14.5 -12.0 399 177 B V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.942 109.4 52.4 -58.8 -48.8 -43.7 17.5 -12.5 400 178 B E H X S+ 0 0 57 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.911 108.8 50.2 -50.8 -49.4 -45.4 15.5 -15.3 401 179 B A H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.887 111.8 46.7 -58.8 -44.1 -45.9 12.5 -12.9 402 180 B G H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 3,-0.3 0.892 114.9 47.1 -66.3 -41.1 -47.5 14.8 -10.2 403 181 B H H ><5S+ 0 0 89 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.927 110.3 50.5 -67.2 -47.4 -49.8 16.5 -12.7 404 182 B K H 3<5S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.587 102.2 62.9 -72.4 -9.2 -50.9 13.3 -14.4 405 183 B A T 3<5S- 0 0 10 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.353 118.3-115.0 -86.5 -1.1 -51.7 11.9 -10.9 406 184 B G T < 5S+ 0 0 56 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.766 71.3 135.9 72.2 28.3 -54.3 14.7 -10.7 407 185 B I < - 0 0 3 -5,-1.9 -1,-0.3 -20,-0.1 2,-0.2 -0.885 66.6-103.1-111.2 139.1 -52.5 16.5 -7.8 408 186 B F E -k 390 0C 56 -19,-0.6 -17,-2.6 -22,-0.4 2,-0.5 -0.433 46.8-157.6 -54.2 120.3 -51.7 20.2 -7.5 409 187 B T E -k 391 0C 0 17,-0.3 19,-2.6 -19,-0.2 20,-1.3 -0.940 15.2-164.7-119.2 124.4 -48.1 20.4 -8.4 410 188 B I E -kl 392 429C 0 -19,-3.1 -17,-2.3 -2,-0.5 2,-0.4 -0.929 12.1-151.0-105.9 119.7 -45.6 23.2 -7.5 411 189 B A E -kl 393 430C 0 18,-2.9 20,-2.5 -2,-0.6 2,-0.5 -0.740 6.6-165.6 -87.4 136.2 -42.4 23.3 -9.4 412 190 B V E - l 0 431C 0 -19,-2.6 2,-1.5 -2,-0.4 3,-0.1 -0.989 17.6-140.1-120.3 116.0 -39.3 24.7 -7.6 413 191 B N + 0 0 37 18,-2.8 -19,-0.1 -2,-0.5 6,-0.1 -0.571 43.0 148.9 -85.0 86.4 -36.5 25.5 -10.1 414 192 B T + 0 0 37 -2,-1.5 -1,-0.2 -178,-0.2 -19,-0.1 0.407 55.3 61.7 -97.7 -2.0 -33.4 24.4 -8.2 415 193 B G S S- 0 0 29 -21,-0.3 -20,-0.0 2,-0.1 -2,-0.0 -0.360 95.9 -90.2-113.4-164.9 -31.4 23.4 -11.3 416 194 B P S S+ 0 0 89 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.371 85.0 107.2 -91.2 1.1 -29.9 24.9 -14.5 417 195 B L S S- 0 0 22 1,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.440 80.0 -95.1 -83.0 158.5 -32.9 24.4 -16.8 418 196 B D >> - 0 0 107 1,-0.1 3,-1.5 -2,-0.1 4,-0.5 -0.471 28.4-127.7 -66.8 137.7 -35.3 27.1 -18.0 419 197 B G H >> S+ 0 0 12 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.766 103.5 75.5 -58.4 -26.4 -38.4 27.4 -15.9 420 198 B Q H 3> S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.819 88.2 58.1 -52.9 -37.8 -40.5 27.0 -19.1 421 199 B V H <> S+ 0 0 36 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.839 106.1 49.1 -65.7 -30.8 -39.8 23.3 -19.2 422 200 B L H <<>S+ 0 0 1 -3,-0.8 5,-1.6 -4,-0.5 -2,-0.2 0.889 114.1 44.1 -75.5 -40.7 -41.3 22.8 -15.7 423 201 B L H ><5S+ 0 0 83 -4,-1.8 3,-1.5 3,-0.2 -2,-0.2 0.886 110.9 55.7 -68.0 -39.3 -44.5 24.8 -16.6 424 202 B D H 3<5S+ 0 0 136 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.864 101.9 58.0 -57.7 -36.7 -44.6 22.9 -19.9 425 203 B A T 3<5S- 0 0 21 -4,-1.4 -1,-0.3 -5,-0.2 -22,-0.2 0.501 131.3 -91.0 -74.9 -6.8 -44.6 19.6 -18.0 426 204 B G T < 5 + 0 0 18 -3,-1.5 -17,-0.3 1,-0.2 -3,-0.2 0.570 63.3 164.7 113.8 12.1 -47.8 20.8 -16.1 427 205 B A < - 0 0 11 -5,-1.6 -1,-0.2 1,-0.1 -17,-0.2 -0.372 28.7-153.0 -64.0 134.8 -46.7 22.6 -12.9 428 206 B D S S+ 0 0 74 -19,-2.6 2,-0.3 1,-0.2 -18,-0.2 0.822 81.4 14.9 -76.6 -33.5 -49.6 24.7 -11.4 429 207 B L E -l 410 0C 52 -20,-1.3 -18,-2.9 2,-0.0 2,-0.4 -0.957 67.5-150.9-136.6 155.8 -47.1 27.1 -9.8 430 208 B L E +l 411 0C 64 -2,-0.3 -18,-0.2 -20,-0.2 -20,-0.0 -0.994 14.5 177.4-131.1 127.4 -43.4 27.9 -10.3 431 209 B F E -l 412 0C 30 -20,-2.5 -18,-2.8 -2,-0.4 3,-0.1 -0.914 30.6-134.9-122.2 150.0 -41.0 29.2 -7.6 432 210 B P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 0.643 82.4 4.2 -78.9 -13.2 -37.3 29.9 -8.0 433 211 B S > - 0 0 41 1,-0.1 4,-1.7 -117,-0.0 5,-0.1 -0.985 68.2-108.7-163.8 163.4 -36.3 28.3 -4.6 434 212 B M H > S+ 0 0 1 -119,-0.5 4,-2.4 -2,-0.3 -118,-0.2 0.886 117.1 54.6 -67.4 -38.8 -37.5 26.3 -1.6 435 213 B Q H > S+ 0 0 70 -120,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.904 107.8 47.8 -62.3 -43.5 -37.0 29.4 0.6 436 214 B T H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.861 111.5 51.2 -65.5 -36.8 -39.3 31.6 -1.6 437 215 B L H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.902 111.4 48.3 -61.5 -43.5 -41.9 28.8 -1.6 438 216 B C H >< S+ 0 0 16 -4,-2.4 3,-1.1 2,-0.2 4,-0.4 0.950 111.5 49.0 -59.5 -51.5 -41.6 28.7 2.2 439 217 B D H 3< S+ 0 0 113 -4,-3.0 4,-0.2 1,-0.2 -1,-0.2 0.809 118.8 40.7 -54.6 -35.0 -42.0 32.5 2.4 440 218 B S H 3X S+ 0 0 36 -4,-1.7 4,-2.3 -5,-0.2 5,-0.3 0.436 85.8 101.5 -96.3 -4.2 -45.0 32.3 0.1 441 219 B W H S+ 0 0 74 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.882 113.8 51.3 -58.7 -39.4 -49.5 30.8 3.6 443 221 B T H 4 S+ 0 0 106 -4,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.930 111.4 44.4 -63.3 -48.7 -50.4 33.1 0.8 444 222 B I H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 113.1 52.7 -69.4 -27.4 -50.7 30.4 -1.9 445 223 B M H < 0 0 8 -4,-2.0 -221,-2.2 -5,-0.3 -220,-0.3 0.704 360.0 360.0 -84.8 -17.2 -52.7 28.1 0.5 446 224 B L < 0 0 184 -4,-1.2 -3,-0.0 -3,-0.4 -4,-0.0 -0.290 360.0 360.0 -58.1 360.0 -55.3 30.8 1.4