==== 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 04-JUN-07 2Q5Z . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO SP. DAT722; . AUTHOR A.ROBINSON,A.P.GUILFOYLE,S.J.HARROP,Y.BOUCHER,H.W.STOKES,P.M . 187 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 0 0.0 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 . 1 0.5 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 0 0 0 0 0 2 0 1 0 0 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A H 0 0 153 0, 0.0 171,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.5 14.2 27.0 53.1 2 1 A M - 0 0 42 170,-0.1 95,-0.8 1,-0.1 2,-0.2 -0.230 360.0-129.7 -66.3 140.1 12.1 24.8 55.3 3 2 A K B > -A 96 0A 92 93,-0.2 4,-2.0 1,-0.1 93,-0.2 -0.551 21.7-118.7 -80.8 155.9 9.4 26.1 57.5 4 3 A L H > S+ 0 0 3 91,-2.7 4,-2.7 1,-0.2 5,-0.1 0.858 117.3 53.7 -64.0 -37.3 9.3 25.0 61.1 5 4 A S H > S+ 0 0 42 90,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.823 108.2 51.3 -65.8 -32.2 5.9 23.4 60.6 6 5 A E H > S+ 0 0 83 2,-0.2 4,-2.1 3,-0.1 -2,-0.2 0.862 109.6 49.3 -70.4 -36.0 7.5 21.4 57.7 7 6 A L H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.957 111.3 49.5 -67.5 -48.6 10.4 20.3 59.9 8 7 A Q H X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.917 114.8 44.5 -50.1 -49.0 7.9 19.2 62.6 9 8 A S H X S+ 0 0 75 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.782 109.9 52.7 -79.5 -27.9 5.9 17.2 60.1 10 9 A H H >X S+ 0 0 56 -4,-2.1 4,-1.2 2,-0.2 3,-0.5 0.951 111.9 48.1 -63.4 -51.6 8.8 15.6 58.3 11 10 A I H 3X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 3,-0.5 0.905 107.4 55.5 -53.0 -43.7 10.0 14.4 61.7 12 11 A K H 3< S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 101.6 60.3 -61.0 -32.3 6.5 13.2 62.5 13 12 A E H << S+ 0 0 162 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.892 122.4 17.8 -61.9 -42.2 6.7 11.1 59.3 14 13 A F H < S+ 0 0 104 -4,-1.2 2,-0.2 -3,-0.5 -2,-0.2 0.533 131.3 39.7-112.5 -8.2 9.7 9.0 60.3 15 14 A D S < S+ 0 0 34 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.2 -0.639 71.0 121.7-145.8 81.9 9.9 9.4 64.1 16 15 A Y + 0 0 91 -2,-0.2 -4,-0.0 -3,-0.2 53,-0.0 -0.788 15.8 158.9-148.1 98.4 6.6 9.5 65.9 17 16 A A > - 0 0 21 -2,-0.3 3,-2.5 3,-0.1 7,-0.2 -0.790 11.6-178.1-123.4 85.1 5.8 6.9 68.7 18 17 A P G > S+ 0 0 66 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.737 81.5 61.3 -58.0 -27.4 3.0 8.4 70.8 19 18 A E G 3 S+ 0 0 127 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.528 105.0 51.8 -74.9 -7.5 3.1 5.4 73.2 20 19 A Q G <> + 0 0 98 -3,-2.5 4,-0.8 1,-0.1 3,-0.4 -0.359 61.4 143.1-127.8 53.4 6.7 6.4 74.0 21 20 A S H X> S+ 0 0 36 -3,-0.7 4,-1.0 1,-0.2 3,-0.9 0.869 70.9 60.3 -57.9 -40.1 6.5 10.0 75.0 22 21 A E H >> S+ 0 0 116 1,-0.3 4,-2.7 2,-0.2 3,-0.8 0.867 93.3 65.9 -59.7 -41.3 9.1 9.6 77.7 23 22 A H H 3> S+ 0 0 69 -3,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.868 100.9 50.2 -41.9 -45.9 11.7 8.5 75.1 24 23 A Y H S+ 0 0 3 -4,-2.3 5,-2.4 1,-0.2 18,-0.3 0.852 113.4 44.5 -66.3 -37.5 30.4 20.7 72.4 39 38 A I H ><5S+ 0 0 35 -4,-2.5 3,-1.9 3,-0.2 -1,-0.2 0.925 109.9 55.5 -69.3 -43.5 30.3 24.2 73.9 40 39 A R H 3<5S+ 0 0 180 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.894 110.9 45.6 -53.0 -43.2 32.7 23.3 76.6 41 40 A K T 3<5S- 0 0 110 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.377 112.9-122.3 -83.1 1.4 35.2 22.2 73.9 42 41 A G T < 5 + 0 0 53 -3,-1.9 2,-1.7 1,-0.2 -3,-0.2 0.801 50.2 161.9 64.8 33.8 34.5 25.4 71.9 43 42 A K < + 0 0 99 -5,-2.4 13,-2.5 11,-0.2 14,-0.5 -0.300 25.7 146.5 -85.3 56.7 33.4 23.7 68.7 44 43 A S + 0 0 61 -2,-1.7 124,-0.2 11,-0.2 2,-0.1 -0.080 20.5 61.4 -82.5-176.8 31.7 26.8 67.3 45 44 A G S S- 0 0 29 122,-3.1 12,-0.4 119,-0.2 11,-0.1 -0.251 93.9 -57.2 87.0 178.7 31.2 28.1 63.8 46 45 A Q - 0 0 60 123,-0.1 123,-0.1 -2,-0.1 -2,-0.1 -0.870 58.7-147.0-100.4 108.0 29.4 26.6 60.8 47 46 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 130,-0.1 -0.299 6.0-128.7 -71.7 156.8 30.8 23.2 60.0 48 47 A T >> - 0 0 76 1,-0.0 3,-1.0 129,-0.0 4,-0.8 -0.392 45.5 -87.4 -78.5 175.4 31.1 21.5 56.7 49 48 A L G >4 S+ 0 0 53 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.896 130.6 49.6 -50.2 -46.7 29.8 18.0 56.2 50 49 A D G 34 S+ 0 0 153 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.673 113.0 45.9 -69.9 -20.0 33.1 16.5 57.4 51 50 A E G <4 S+ 0 0 124 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.434 86.9 96.0-102.4 -3.2 33.3 18.7 60.5 52 51 A L X< + 0 0 0 -4,-0.8 3,-2.2 -3,-0.8 6,-0.4 0.848 53.6 96.3 -61.3 -44.3 29.7 18.2 61.6 53 52 A K T 3 S- 0 0 186 -4,-0.4 3,-0.1 1,-0.3 4,-0.0 -0.288 104.4 -2.1 -54.0 119.5 30.1 15.3 64.2 54 53 A G T 3 S+ 0 0 23 1,-0.2 -1,-0.3 -2,-0.1 -11,-0.2 0.449 97.6 139.2 80.9 -1.0 30.2 16.7 67.7 55 54 A S <> - 0 0 8 -3,-2.2 4,-2.1 -4,-0.1 -1,-0.2 -0.329 67.4-116.7 -72.4 157.2 30.0 20.4 66.6 56 55 A V H > S+ 0 0 0 -13,-2.5 4,-3.0 -18,-0.3 5,-0.3 0.886 117.8 57.2 -53.4 -42.5 27.9 22.9 68.5 57 56 A A H > S+ 0 0 0 -14,-0.5 4,-2.9 -12,-0.4 -1,-0.2 0.937 106.8 45.9 -56.5 -51.8 25.9 23.2 65.2 58 57 A E H > S+ 0 0 21 -6,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.902 115.0 47.7 -58.7 -43.4 25.1 19.5 65.2 59 58 A E H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -24,-0.2 0.875 111.4 48.8 -70.2 -38.4 24.2 19.5 68.9 60 59 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.923 112.4 50.5 -61.7 -45.2 22.0 22.6 68.6 61 60 A Y H X S+ 0 0 10 -4,-2.9 4,-3.0 -5,-0.3 -2,-0.2 0.928 108.9 51.0 -57.3 -44.1 20.3 20.9 65.6 62 61 A D H X S+ 0 0 22 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.869 109.4 50.1 -64.9 -37.0 19.8 17.7 67.7 63 62 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -32,-0.2 -1,-0.2 0.950 111.3 49.6 -62.0 -48.8 18.2 19.7 70.5 64 63 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.908 105.3 57.6 -53.2 -46.7 15.9 21.3 67.9 65 64 A Y H X S+ 0 0 30 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.919 109.8 43.9 -52.1 -47.3 15.0 17.9 66.5 66 65 A Y H X S+ 0 0 25 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.807 108.0 57.6 -74.2 -28.7 13.7 16.8 69.9 67 66 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.929 113.2 41.3 -58.7 -46.9 11.9 20.1 70.5 68 67 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.892 114.8 50.8 -67.6 -43.3 10.0 19.4 67.2 69 68 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.911 111.6 47.8 -62.9 -41.3 9.6 15.7 68.1 70 69 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.885 108.3 55.5 -65.1 -39.5 8.2 16.6 71.6 71 70 A A H <>S+ 0 0 0 -4,-1.9 5,-3.5 2,-0.2 -2,-0.2 0.912 109.6 46.8 -57.9 -45.9 5.9 19.2 69.9 72 71 A N H ><5S+ 0 0 17 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.951 114.2 47.0 -57.4 -49.6 4.5 16.3 67.7 73 72 A I H 3<5S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.877 116.1 44.4 -64.3 -38.7 4.1 14.0 70.7 74 73 A H T 3<5S- 0 0 20 -4,-2.8 64,-2.9 -5,-0.1 -1,-0.3 0.191 114.8-110.6 -95.0 15.9 2.4 16.7 72.9 75 74 A G T < 5 + 0 0 48 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.829 64.6 154.3 62.7 36.8 0.1 18.0 70.2 76 75 A V < - 0 0 5 -5,-3.5 2,-0.7 -6,-0.2 -1,-0.2 -0.837 38.3-159.1-105.3 128.8 1.8 21.3 69.8 77 76 A N > - 0 0 54 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 -0.924 10.4-163.4 -98.5 111.2 1.9 23.6 66.8 78 77 A L H > S+ 0 0 0 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.925 88.1 51.8 -67.1 -42.4 5.0 25.8 67.4 79 78 A E H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 112.2 46.8 -60.4 -39.8 4.0 28.4 64.8 80 79 A K H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.836 109.2 54.3 -70.9 -37.5 0.5 28.7 66.5 81 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 3,-0.2 0.935 106.7 52.5 -57.0 -49.2 2.2 28.9 69.9 82 81 A R H X S+ 0 0 77 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.899 107.0 52.2 -52.8 -46.1 4.3 31.8 68.6 83 82 A E H X S+ 0 0 105 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.853 110.2 48.1 -60.0 -37.4 1.2 33.7 67.4 84 83 A L H X S+ 0 0 37 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.2 0.909 109.9 51.6 -73.0 -41.8 -0.4 33.3 70.8 85 84 A K H X S+ 0 0 27 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.890 106.8 55.3 -57.5 -40.7 2.8 34.6 72.5 86 85 A E H X S+ 0 0 65 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.943 105.3 52.0 -58.3 -47.6 2.7 37.5 70.2 87 86 A V H X S+ 0 0 68 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.946 113.7 43.9 -53.2 -49.4 -0.9 38.3 71.4 88 87 A L H >< S+ 0 0 61 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.915 112.0 52.4 -63.6 -44.8 0.4 38.2 75.0 89 88 A N H >< S+ 0 0 83 -4,-3.4 3,-1.0 1,-0.2 -1,-0.2 0.853 105.3 57.2 -56.3 -37.5 3.5 40.2 74.2 90 89 A K H 3< S+ 0 0 134 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.700 102.0 53.1 -71.5 -22.4 1.3 42.9 72.6 91 90 A V T << S+ 0 0 108 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.649 97.2 70.4 -79.9 -8.1 -0.7 43.5 75.7 92 91 A K < 0 0 176 -3,-1.0 -1,-0.2 1,-0.7 -2,-0.1 0.464 360.0 360.0 -83.3 -14.0 2.5 44.0 77.6 93 92 A Y 0 0 247 -3,-0.3 -1,-0.7 -4,-0.2 -2,-0.2 -0.595 360.0 360.0 74.9 360.0 2.6 46.8 75.9 94 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 1 B M 0 0 41 0, 0.0 -91,-2.7 0, 0.0 -90,-0.3 0.000 360.0 360.0 360.0 117.0 8.3 30.8 60.5 96 2 B K B > -A 3 0A 79 -93,-0.2 4,-3.0 -92,-0.1 5,-0.2 -0.899 360.0-119.5-120.4 153.3 11.7 29.7 59.0 97 3 B L H > S+ 0 0 5 -95,-0.8 4,-2.4 -2,-0.3 5,-0.2 0.862 109.9 44.1 -65.0 -47.3 14.8 28.8 60.9 98 4 B S H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.847 116.9 46.1 -61.6 -40.9 17.2 31.5 59.5 99 5 B E H > S+ 0 0 79 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.905 112.7 50.7 -71.9 -40.0 14.6 34.3 59.8 100 6 B L H X S+ 0 0 11 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.965 113.2 45.2 -59.3 -53.7 13.7 33.2 63.3 101 7 B Q H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.919 116.3 47.4 -50.9 -51.4 17.3 33.2 64.4 102 8 B S H X S+ 0 0 62 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.865 109.7 51.4 -62.5 -39.8 17.8 36.5 62.7 103 9 B H H X S+ 0 0 101 -4,-3.0 4,-0.5 2,-0.2 -1,-0.2 0.875 111.6 47.4 -68.2 -37.4 14.7 38.1 64.2 104 10 B I H >X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 3,-1.5 0.921 105.6 59.7 -65.7 -45.1 15.8 37.1 67.7 105 11 B K H 3< S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.784 94.4 67.7 -53.1 -30.5 19.3 38.4 67.0 106 12 B E H 3< S+ 0 0 140 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.801 118.9 16.0 -62.3 -34.9 17.7 41.8 66.4 107 13 B F H << S+ 0 0 147 -3,-1.5 2,-0.2 -4,-0.5 -2,-0.2 0.537 129.7 44.7-118.8 -10.1 16.7 42.3 70.0 108 14 B D < + 0 0 33 -4,-2.4 2,-0.3 -5,-0.1 -1,-0.2 -0.647 67.3 121.6-140.5 83.8 18.7 39.7 71.9 109 15 B Y + 0 0 99 -2,-0.2 3,-0.1 -3,-0.1 -4,-0.0 -0.854 13.8 156.7-146.8 102.9 22.4 39.4 71.0 110 16 B A > - 0 0 37 -2,-0.3 3,-2.6 3,-0.1 6,-0.1 -0.791 13.3-177.4-125.4 86.6 25.1 39.9 73.7 111 17 B P G > S+ 0 0 61 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.674 82.5 61.6 -65.0 -16.2 28.2 38.0 72.4 112 18 B E G 3 S+ 0 0 163 1,-0.2 3,-0.2 2,-0.1 -3,-0.0 0.484 101.8 55.5 -81.1 -6.3 30.1 38.9 75.5 113 19 B Q G <> + 0 0 119 -3,-2.6 4,-0.9 1,-0.1 3,-0.3 -0.278 61.1 139.4-124.1 48.6 27.5 37.0 77.5 114 20 B S H <> S+ 0 0 53 -3,-0.5 4,-1.1 1,-0.2 3,-0.3 0.788 70.8 58.0 -62.6 -33.8 27.6 33.5 75.9 115 21 B E H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.896 97.5 65.2 -64.0 -37.0 27.3 31.6 79.3 116 22 B H H > S+ 0 0 76 -3,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.870 100.5 49.4 -47.0 -46.3 24.0 33.6 79.8 117 23 B Y H X S+ 0 0 1 -4,-0.9 4,-1.9 -3,-0.3 -1,-0.3 0.846 110.4 49.6 -70.8 -31.2 22.4 31.8 76.9 118 24 B F H X S+ 0 0 25 -4,-1.1 4,-2.2 -3,-0.5 -2,-0.2 0.934 110.5 49.3 -72.7 -45.8 23.4 28.4 78.1 119 25 B F H X S+ 0 0 123 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 111.9 50.8 -50.7 -49.1 22.1 29.0 81.6 120 26 B K H X S+ 0 0 43 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.890 106.6 53.5 -62.5 -40.8 18.8 30.2 80.1 121 27 B L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.955 110.6 46.3 -56.5 -49.8 18.5 27.1 77.9 122 28 B I H X S+ 0 0 76 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.887 110.4 54.3 -63.1 -39.7 18.9 24.9 80.9 123 29 B E H X S+ 0 0 92 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 110.9 45.2 -57.4 -45.4 16.4 27.0 82.9 124 30 B E H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.858 109.3 54.9 -70.8 -35.0 13.8 26.6 80.1 125 31 B V H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.895 108.5 49.6 -63.7 -39.3 14.5 22.9 79.8 126 32 B G H X S+ 0 0 42 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.923 111.3 48.5 -63.8 -43.3 13.7 22.6 83.5 127 33 B E H X S+ 0 0 75 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.879 110.3 52.6 -62.4 -37.2 10.5 24.5 83.0 128 34 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 24,-0.2 -2,-0.2 0.947 106.5 53.1 -59.3 -49.8 9.7 22.2 80.1 129 35 B S H X S+ 0 0 47 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.915 108.9 49.1 -51.5 -49.7 10.2 19.2 82.4 130 36 B E H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.889 110.4 50.8 -56.8 -43.2 7.7 20.7 84.9 131 37 B S H <>S+ 0 0 2 -4,-2.0 5,-2.5 2,-0.2 18,-0.3 0.874 113.1 45.0 -67.7 -38.2 5.1 21.3 82.2 132 38 B I H ><5S+ 0 0 35 -4,-2.5 3,-2.2 3,-0.2 -2,-0.2 0.957 111.8 52.2 -68.3 -50.6 5.4 17.7 80.9 133 39 B R H 3<5S+ 0 0 182 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.875 110.3 49.3 -49.1 -43.6 5.3 16.2 84.4 134 40 B K T 3<5S- 0 0 102 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.432 113.5-122.1 -80.0 0.9 2.1 18.2 85.1 135 41 B G T < 5 + 0 0 53 -3,-2.2 2,-1.5 1,-0.2 -3,-0.2 0.782 54.3 157.6 65.3 31.9 0.6 16.9 81.8 136 42 B K < + 0 0 96 -5,-2.5 13,-2.4 -6,-0.1 14,-0.5 -0.264 27.8 143.3 -84.9 50.8 0.0 20.4 80.4 137 43 B S + 0 0 59 -2,-1.5 -62,-0.1 11,-0.2 2,-0.1 -0.234 22.8 54.9 -87.1 172.4 -0.0 19.1 76.8 138 44 B G S S- 0 0 27 -64,-2.9 12,-0.3 -67,-0.1 11,-0.1 -0.377 98.6 -49.4 95.2-178.9 -2.1 20.0 73.7 139 45 B Q - 0 0 59 -2,-0.1 -63,-0.1 -63,-0.1 -2,-0.1 -0.860 65.6-143.3 -95.8 108.7 -2.5 23.3 71.9 140 46 B P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -56,-0.1 -0.367 4.5-126.8 -73.9 151.3 -3.4 25.8 74.7 141 47 B T > - 0 0 82 -2,-0.1 4,-1.0 1,-0.0 3,-0.4 -0.250 45.9 -86.7 -74.2-179.8 -5.8 28.7 74.4 142 48 B L T 4 S+ 0 0 65 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.880 131.1 48.3 -60.4 -43.3 -4.5 32.1 75.3 143 49 B D T 4 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.695 113.8 48.0 -72.3 -20.4 -5.4 31.7 79.0 144 50 B E T 4 S+ 0 0 119 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.585 89.1 90.1 -91.3 -12.3 -3.7 28.2 79.1 145 51 B L >< + 0 0 0 -4,-1.0 3,-2.2 -3,-0.5 6,-0.5 0.875 61.9 85.1 -55.9 -50.5 -0.5 29.4 77.3 146 52 B K T 3 S+ 0 0 180 -4,-0.5 3,-0.1 1,-0.3 4,-0.0 -0.390 110.1 2.6 -62.8 119.8 1.6 30.4 80.3 147 53 B G T 3 S+ 0 0 16 1,-0.3 -1,-0.3 -2,-0.2 -11,-0.1 0.444 96.6 139.9 84.8 1.0 3.4 27.3 81.6 148 54 B S <> - 0 0 6 -3,-2.2 4,-2.2 -4,-0.2 -1,-0.3 -0.393 68.7-115.9 -70.1 152.4 2.0 25.0 78.9 149 55 B V H > S+ 0 0 0 -13,-2.4 4,-2.4 -18,-0.3 5,-0.2 0.881 119.5 58.5 -49.6 -39.8 4.2 22.4 77.3 150 56 B A H > S+ 0 0 0 -14,-0.5 4,-2.3 -12,-0.3 -1,-0.2 0.936 105.7 45.0 -58.4 -51.8 3.7 24.5 74.2 151 57 B E H > S+ 0 0 23 -6,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.893 113.8 49.4 -59.7 -42.1 5.1 27.7 75.7 152 58 B E H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -24,-0.2 0.844 107.9 53.4 -71.7 -34.6 8.1 25.9 77.2 153 59 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.935 110.5 48.6 -61.4 -46.4 8.9 24.2 73.9 154 60 B Y H X S+ 0 0 26 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.923 110.1 51.5 -53.6 -45.9 8.9 27.6 72.3 155 61 B D H X S+ 0 0 27 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.850 110.2 48.0 -65.8 -35.0 11.1 29.0 75.0 156 62 B V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.950 111.7 50.8 -67.3 -47.7 13.6 26.1 74.5 157 63 B L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.888 105.9 56.5 -53.0 -46.8 13.5 26.8 70.8 158 64 B Y H X S+ 0 0 34 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.920 110.1 43.7 -49.8 -49.9 14.2 30.5 71.4 159 65 B Y H X S+ 0 0 28 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.825 108.6 57.4 -74.7 -27.6 17.4 29.6 73.3 160 66 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 112.3 42.5 -60.3 -46.4 18.4 27.1 70.7 161 67 B C H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.888 114.3 50.6 -65.7 -41.6 18.2 30.0 68.1 162 68 B A H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 111.5 47.9 -64.5 -45.4 19.9 32.4 70.5 163 69 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 6,-0.2 0.894 108.2 55.6 -59.5 -41.0 22.8 30.0 71.1 164 70 B A H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-0.4 0.955 109.1 46.7 -58.4 -49.4 23.1 29.3 67.4 165 71 B N H ><5S+ 0 0 14 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.931 113.5 49.7 -53.4 -49.1 23.6 33.1 66.8 166 72 B I H 3<5S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 114.4 43.2 -59.4 -38.8 26.1 33.2 69.7 167 73 B H T 3<5S- 0 0 20 -4,-2.6 -122,-3.1 -5,-0.1 -1,-0.2 0.212 115.1-106.4-101.3 15.8 28.1 30.3 68.4 168 74 B G T < 5S+ 0 0 48 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.718 70.1 147.9 74.1 24.3 28.2 31.2 64.7 169 75 B V < - 0 0 6 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.2 -0.769 41.7-155.7-101.4 132.6 25.7 28.5 63.7 170 76 B N > - 0 0 61 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.935 9.5-162.6 -99.3 110.3 23.2 28.6 60.9 171 77 B L H > S+ 0 0 0 -2,-0.7 4,-3.0 1,-0.2 -1,-0.1 0.875 87.6 51.6 -64.5 -37.9 20.5 26.1 61.9 172 78 B E H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.940 111.4 45.6 -63.8 -49.4 19.0 25.9 58.4 173 79 B K H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.902 114.6 50.5 -58.7 -40.0 22.4 25.1 56.7 174 80 B T H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.921 107.2 52.6 -67.0 -44.2 23.0 22.6 59.5 175 81 B R H X S+ 0 0 30 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.936 110.3 49.2 -55.1 -49.4 19.7 21.0 59.0 176 82 B E H X S+ 0 0 70 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 111.3 48.2 -56.0 -47.8 20.5 20.6 55.3 177 83 B L H X S+ 0 0 21 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.897 109.5 53.6 -61.7 -41.2 24.0 19.1 56.1 178 84 B K H X S+ 0 0 44 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.843 109.8 47.1 -60.3 -37.4 22.4 16.7 58.6 179 85 B E H X S+ 0 0 66 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.889 112.3 50.5 -73.5 -36.1 19.9 15.4 55.9 180 86 B V H X S+ 0 0 67 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.949 109.9 50.6 -60.0 -48.9 22.8 15.1 53.4 181 87 B L H X S+ 0 0 32 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.899 109.4 49.7 -60.5 -44.6 24.8 13.1 55.9 182 88 B N H X S+ 0 0 83 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.924 113.2 47.7 -55.6 -44.4 21.9 10.7 56.7 183 89 B K H X S+ 0 0 132 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.889 110.2 49.7 -69.5 -43.4 21.4 10.1 52.9 184 90 B V H < S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 109.7 56.0 -63.9 -30.6 25.1 9.5 52.1 185 91 B K H < S+ 0 0 133 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.912 125.9 13.3 -65.0 -40.5 25.1 7.0 55.0 186 92 B Y H < S+ 0 0 181 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.610 89.7 116.2-120.7 -15.2 22.3 4.8 53.8 187 93 B N < 0 0 86 -4,-2.9 -4,-0.0 -5,-0.2 0, 0.0 -0.298 360.0 360.0 -66.7 140.9 21.5 5.6 50.2 188 94 B R 0 0 267 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.195 360.0 360.0 -74.9 360.0 22.0 2.8 47.7