==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-MAY-09 3HIU . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR K.TAN,X.XU,H.CUI,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST . 584 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 88.9 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 . 0 0.0 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 . 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 . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 438 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 3 3 4 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 . 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 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 5 A Q > 0 0 102 0, 0.0 4,-1.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -31.8 80.0 4.4 6.3 2 6 A S H > + 0 0 42 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.949 360.0 45.9 -54.8 -48.2 78.4 1.0 7.2 3 7 A R H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.865 110.9 51.8 -63.8 -37.6 78.0 2.5 10.6 4 8 A E H > S+ 0 0 96 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.641 109.7 47.3 -82.8 -15.4 76.6 5.8 9.4 5 9 A R H X S+ 0 0 4 -4,-1.5 4,-2.6 -3,-0.5 5,-0.3 0.838 113.2 50.0 -81.8 -41.8 74.0 4.3 7.1 6 10 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.940 113.9 45.5 -58.1 -47.4 72.9 2.1 10.0 7 11 A V H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.905 111.1 54.3 -62.3 -40.5 72.8 5.2 12.2 8 12 A K H X S+ 0 0 61 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.920 112.8 40.1 -60.5 -47.8 70.9 7.0 9.5 9 13 A W H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.778 112.9 56.6 -73.8 -27.8 68.1 4.4 9.2 10 14 A L H X S+ 0 0 1 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.899 106.7 50.7 -64.1 -40.9 68.1 4.0 12.9 11 15 A Q H X S+ 0 0 52 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.932 108.8 50.2 -61.1 -48.9 67.4 7.7 13.2 12 16 A D H X S+ 0 0 68 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.947 111.4 48.8 -52.0 -53.0 64.5 7.5 10.7 13 17 A A H X S+ 0 0 3 -4,-1.9 4,-3.3 1,-0.2 -1,-0.2 0.783 106.0 56.0 -64.3 -32.3 62.9 4.7 12.6 14 18 A Y H X S+ 0 0 27 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.914 111.7 43.6 -65.2 -44.0 63.2 6.4 16.0 15 19 A A H X S+ 0 0 49 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.857 113.9 53.2 -66.7 -36.4 61.3 9.3 14.6 16 20 A X H X S+ 0 0 23 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.945 108.2 48.4 -61.0 -50.4 58.9 6.8 13.0 17 21 A E H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.856 110.4 52.3 -59.9 -35.0 58.3 5.0 16.3 18 22 A K H X S+ 0 0 73 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.812 111.3 45.9 -76.2 -29.5 57.6 8.4 18.0 19 23 A E H X S+ 0 0 91 -4,-1.7 4,-2.2 -3,-0.2 -2,-0.2 0.905 112.2 52.2 -70.9 -44.4 55.1 9.2 15.3 20 24 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.946 108.3 51.1 -55.0 -50.8 53.6 5.8 15.7 21 25 A E H X S+ 0 0 41 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.849 113.6 43.9 -56.3 -39.4 53.3 6.2 19.4 22 26 A T H < S+ 0 0 90 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.780 112.9 52.0 -81.3 -26.4 51.5 9.5 19.1 23 27 A X H X S+ 0 0 37 -4,-2.2 4,-1.9 -3,-0.2 -2,-0.2 0.828 116.5 38.8 -77.2 -34.7 49.3 8.3 16.3 24 28 A X H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.869 107.7 61.6 -81.4 -40.0 48.1 5.2 18.3 25 29 A A H < S+ 0 0 56 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.529 114.8 39.7 -64.4 -3.2 47.9 7.1 21.6 26 30 A A H >> S+ 0 0 43 -3,-0.2 3,-1.6 2,-0.1 4,-0.5 0.731 110.5 54.2-106.4 -45.4 45.3 9.1 19.7 27 31 A X H >X S+ 0 0 31 -4,-1.9 3,-1.1 1,-0.3 4,-0.6 0.847 101.9 60.7 -58.6 -37.0 43.5 6.4 17.7 28 32 A A H 3< S+ 0 0 11 -4,-2.6 -1,-0.3 1,-0.2 -3,-0.1 0.629 101.1 54.7 -69.5 -13.0 42.9 4.4 20.9 29 33 A S H <4 S+ 0 0 88 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.598 98.6 60.0 -96.5 -12.3 40.8 7.3 22.3 30 34 A R H << S+ 0 0 119 -3,-1.1 2,-0.2 -4,-0.5 -2,-0.2 0.632 83.1 104.5 -85.9 -16.6 38.4 7.6 19.3 31 35 A I < + 0 0 14 -4,-0.6 43,-0.0 1,-0.2 -3,-0.0 -0.487 28.3 152.3 -74.3 130.9 37.2 4.1 19.8 32 36 A E S S+ 0 0 140 -2,-0.2 -1,-0.2 6,-0.0 -3,-0.0 0.480 74.8 34.8-126.1 -15.7 33.8 3.6 21.4 33 37 A H S S+ 0 0 75 1,-0.1 -2,-0.1 2,-0.0 4,-0.0 0.286 97.8 71.9-130.4 11.1 32.6 0.3 20.0 34 38 A Y > + 0 0 24 1,-0.1 4,-2.4 2,-0.1 5,-0.3 -0.621 48.3 175.3-134.8 75.2 35.6 -2.1 19.6 35 39 A P H > S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.833 82.0 46.7 -54.1 -42.3 36.8 -3.3 23.0 36 40 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.949 113.4 50.3 -66.7 -45.4 39.4 -5.7 21.7 37 41 A L H >> S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 3,-0.6 0.937 111.6 44.5 -57.3 -57.0 40.7 -3.2 19.2 38 42 A K H 3X S+ 0 0 68 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.910 115.5 50.4 -54.4 -42.7 41.2 -0.3 21.7 39 43 A R H 3X S+ 0 0 145 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.3 0.724 111.8 47.5 -72.3 -24.3 42.7 -2.8 24.2 40 44 A R H X S+ 0 0 6 -4,-2.9 4,-2.3 2,-0.2 3,-1.0 0.946 107.7 54.7 -60.1 -49.8 46.2 -0.6 20.3 42 46 A E H >X S+ 0 0 102 -4,-2.5 4,-1.0 1,-0.3 3,-0.7 0.943 105.0 54.0 -45.0 -57.6 46.9 0.5 23.9 43 47 A Q H 3X S+ 0 0 106 -4,-1.1 4,-1.7 1,-0.3 -1,-0.3 0.774 112.0 44.6 -49.0 -33.0 49.2 -2.5 24.4 44 48 A H H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 3,-0.8 0.894 102.0 53.8 -65.8 -46.1 56.2 1.0 20.9 49 53 A Q H 3X S+ 0 0 61 -4,-0.8 4,-1.2 1,-0.3 -1,-0.2 0.861 111.1 49.6 -58.8 -31.3 57.6 3.1 23.7 50 54 A Q H 3X S+ 0 0 150 -4,-2.2 4,-0.5 2,-0.2 -1,-0.3 0.652 107.8 56.7 -78.6 -18.9 59.8 0.1 24.4 51 55 A Q H XX S+ 0 0 2 -3,-0.8 4,-2.3 -4,-0.7 3,-0.8 0.976 108.0 41.0 -73.6 -61.8 60.8 -0.1 20.7 52 56 A S H 3X S+ 0 0 3 -4,-1.9 4,-3.3 1,-0.3 5,-0.2 0.850 111.5 56.3 -59.7 -37.9 62.2 3.4 20.2 53 57 A A H 3X S+ 0 0 41 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.3 0.839 110.1 48.1 -61.5 -31.6 64.0 3.4 23.5 54 58 A G H S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 -2,-0.2 0.853 113.2 47.3 -69.8 -35.7 71.8 5.3 18.5 60 64 A E H ><5S+ 0 0 107 -4,-3.1 3,-0.9 3,-0.2 -2,-0.2 0.846 110.1 54.2 -73.0 -33.9 73.8 6.0 21.6 61 65 A L H 3<5S+ 0 0 94 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.908 111.9 41.6 -64.5 -44.7 75.9 2.9 21.1 62 66 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.182 114.7-113.1 -93.7 16.5 77.0 3.8 17.5 63 67 A N T < 5 + 0 0 133 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.787 69.9 141.9 57.8 31.3 77.6 7.5 18.5 64 68 A G < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.787 53.1-105.2-102.4 149.9 74.7 8.6 16.3 65 69 A S - 0 0 86 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.218 25.0-118.1 -71.5 159.6 72.3 11.4 17.3 66 70 A I - 0 0 56 1,-0.1 -1,-0.1 -52,-0.0 -55,-0.1 -0.899 43.9-105.0-102.7 110.6 68.7 10.9 18.5 67 71 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.344 37.7-140.6 -35.1 158.2 66.3 12.6 16.0 68 72 A T 0 0 139 1,-0.1 -53,-0.0 0, 0.0 0, 0.0 -0.705 360.0 360.0-127.8 167.4 64.5 15.9 16.8 69 73 A A 0 0 144 -2,-0.2 -1,-0.1 0, 0.0 -54,-0.0 0.141 360.0 360.0 69.6 360.0 61.2 17.9 16.5 70 ! 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 71 92 A X 0 0 113 0, 0.0 2,-0.3 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 158.7 27.9 8.5 10.7 72 93 A T - 0 0 113 1,-0.0 3,-0.4 0, 0.0 69,-0.0 -0.888 360.0-112.6-133.2 164.0 31.6 9.1 9.7 73 94 A D >> + 0 0 8 -2,-0.3 4,-1.5 1,-0.2 3,-0.7 0.495 66.6 117.0 -76.5 -19.6 34.6 7.0 8.9 74 95 A E H 3> S+ 0 0 92 1,-0.2 4,-2.4 3,-0.2 5,-0.2 0.622 78.5 48.7 -17.2 -60.4 37.3 7.4 11.6 75 96 A V H 3> S+ 0 0 29 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.897 115.4 34.1 -64.1 -56.0 37.3 3.8 12.9 76 97 A T H <> S+ 0 0 8 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.919 121.7 49.8 -66.3 -43.0 37.6 1.5 9.8 77 98 A K H X S+ 0 0 50 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.862 110.5 49.6 -63.2 -38.6 39.7 4.0 8.0 78 99 A G H X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.4 -1,-0.2 0.835 106.9 55.7 -70.4 -33.0 42.0 4.3 10.9 79 100 A V H X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.882 108.5 49.4 -62.1 -36.7 42.2 0.6 11.1 80 101 A G H X S+ 0 0 6 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.859 111.6 45.9 -71.6 -38.2 43.4 0.8 7.4 81 102 A I H X S+ 0 0 83 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.809 109.6 56.6 -72.2 -30.5 46.0 3.4 8.1 82 103 A S H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.927 109.1 45.9 -63.3 -45.5 47.2 1.4 11.1 83 104 A Y H X S+ 0 0 22 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.852 112.5 50.5 -67.6 -36.8 47.7 -1.6 8.9 84 105 A A H X S+ 0 0 9 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.864 112.6 46.1 -68.4 -38.6 49.6 0.5 6.3 85 106 A F H X S+ 0 0 30 -4,-2.2 4,-3.3 2,-0.2 3,-0.4 0.949 107.9 54.2 -71.7 -48.9 51.9 2.1 8.8 86 107 A E H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.823 110.9 50.1 -52.1 -30.0 52.7 -1.2 10.6 87 108 A H H X S+ 0 0 15 -4,-1.0 4,-1.7 2,-0.2 -1,-0.3 0.812 106.3 52.6 -81.0 -30.3 53.6 -2.3 7.1 88 109 A L H X S+ 0 0 45 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.921 111.1 49.8 -60.0 -46.8 55.8 0.8 6.6 89 110 A E H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 5,-0.3 0.957 106.7 53.6 -58.3 -55.2 57.5 -0.2 9.8 90 111 A I H >X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 3,-1.2 0.951 109.4 47.2 -40.0 -73.4 58.0 -3.8 8.7 91 112 A A H 3X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.824 113.2 50.6 -38.8 -45.7 59.8 -2.8 5.5 92 113 A S H 3X S+ 0 0 15 -4,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.850 112.1 44.5 -68.8 -36.5 62.0 -0.3 7.5 93 114 A Y H S+ 0 0 0 -4,-3.6 5,-2.4 2,-0.2 4,-0.3 0.967 113.5 45.3 -58.1 -52.1 72.9 -3.9 10.8 101 122 A R H ><5S+ 0 0 113 -4,-1.7 3,-2.9 -5,-0.3 -2,-0.2 0.971 111.2 50.1 -60.1 -57.4 74.3 -7.1 9.3 102 123 A S H 3<5S+ 0 0 59 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.890 112.5 50.3 -44.5 -43.1 76.3 -5.4 6.6 103 124 A A T 3<5S- 0 0 19 -4,-1.9 -1,-0.3 -101,-0.2 -2,-0.2 0.462 114.1-120.0 -78.8 -1.6 77.8 -3.2 9.3 104 125 A G T < 5 + 0 0 55 -3,-2.9 2,-0.9 -4,-0.3 -3,-0.2 0.768 69.6 136.9 65.4 25.3 78.6 -6.2 11.5 105 126 A E >< + 0 0 45 -5,-2.4 4,-1.8 -6,-0.2 -1,-0.2 -0.737 20.7 167.5 -97.7 81.7 76.4 -5.0 14.3 106 127 A Q H > S+ 0 0 122 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.829 73.1 52.2 -68.8 -33.7 74.8 -8.4 15.2 107 128 A E H > S+ 0 0 135 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.854 108.7 50.0 -72.5 -35.5 73.3 -7.2 18.4 108 129 A V H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.874 108.9 55.2 -64.7 -37.3 71.7 -4.2 16.8 109 130 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.911 103.7 52.3 -62.8 -44.5 70.3 -6.7 14.2 110 131 A Q H X S+ 0 0 87 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.904 109.2 50.6 -59.8 -43.4 68.7 -8.9 16.8 111 132 A I H X S+ 0 0 36 -4,-1.6 4,-2.2 1,-0.2 3,-0.3 0.940 111.6 47.8 -55.5 -49.7 66.9 -5.8 18.3 112 133 A C H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.794 110.6 51.6 -65.1 -31.4 65.7 -4.9 14.8 113 134 A E H X S+ 0 0 57 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.778 109.2 51.1 -75.2 -28.6 64.5 -8.4 14.2 114 135 A D H X S+ 0 0 83 -4,-1.6 4,-1.0 -3,-0.3 -2,-0.2 0.869 111.5 45.4 -78.5 -38.0 62.6 -8.4 17.5 115 136 A I H X S+ 0 0 10 -4,-2.2 4,-1.7 1,-0.2 3,-0.2 0.848 108.7 58.9 -69.0 -34.0 60.8 -5.1 16.7 116 137 A L H X S+ 0 0 26 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.856 102.5 53.5 -59.0 -35.4 60.1 -6.5 13.2 117 138 A Q H X S+ 0 0 104 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.823 106.3 51.9 -71.4 -32.3 58.3 -9.5 14.8 118 139 A Q H X S+ 0 0 64 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.849 109.1 49.1 -72.0 -36.8 56.0 -7.1 16.8 119 140 A E H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.866 113.4 47.1 -72.2 -36.3 55.0 -5.1 13.7 120 141 A I H X S+ 0 0 64 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.918 114.0 47.8 -66.0 -44.3 54.2 -8.3 11.9 121 142 A E H X S+ 0 0 85 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.852 115.5 45.8 -64.0 -34.5 52.2 -9.6 14.9 122 143 A X H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.910 112.2 47.2 -78.8 -45.5 50.4 -6.3 15.1 123 144 A A H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.840 111.8 55.7 -59.5 -34.8 49.6 -5.9 11.4 124 145 A E H X S+ 0 0 80 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.887 105.5 50.3 -62.9 -42.4 48.5 -9.6 11.7 125 146 A W H X S+ 0 0 52 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.925 112.1 47.8 -63.9 -43.3 46.1 -8.7 14.6 126 147 A L H X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.927 111.4 45.6 -65.4 -48.0 44.5 -5.8 12.6 127 148 A I H X S+ 0 0 30 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.774 112.6 52.2 -75.4 -23.4 43.9 -7.5 9.3 128 149 A E H < S+ 0 0 121 -4,-1.4 3,-0.3 -5,-0.2 4,-0.2 0.933 118.6 35.8 -69.7 -48.1 42.4 -10.6 11.0 129 150 A H H X S+ 0 0 65 -4,-1.9 4,-1.5 -5,-0.2 3,-0.3 0.454 96.9 91.1 -85.0 -0.8 40.0 -8.5 13.0 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175.4-138.9 77.5 67.0 -2.0 -10.8 180 39 B P H > S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.810 86.2 51.3 -51.7 -34.5 65.5 -2.8 -14.2 181 40 B E H > S+ 0 0 93 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.983 111.3 46.1 -67.5 -56.6 63.2 -5.4 -12.6 182 41 B L H >> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 3,-0.8 0.954 117.9 42.3 -44.2 -67.1 61.9 -2.9 -10.0 183 42 B K H 3X S+ 0 0 75 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.879 112.1 54.5 -50.6 -48.8 61.4 -0.2 -12.5 184 43 B R H 3X S+ 0 0 160 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.3 0.881 110.2 49.3 -52.1 -40.9 60.0 -2.6 -15.1 185 44 B R H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 3,-1.0 0.943 103.4 56.0 -59.5 -52.1 46.3 1.4 -11.7 194 53 B Q H 3X S+ 0 0 63 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.880 110.5 47.5 -46.7 -39.4 44.9 3.5 -14.5 195 54 B Q H 3X S+ 0 0 150 -4,-1.5 4,-0.8 2,-0.2 -1,-0.3 0.730 106.8 59.3 -76.6 -23.7 42.6 0.6 -15.2 196 55 B Q H XX S+ 0 0 3 -4,-1.2 4,-2.5 -3,-1.0 3,-1.3 0.997 109.3 38.3 -64.5 -67.3 41.7 0.2 -11.5 197 56 B S H 3X S+ 0 0 0 -4,-1.7 4,-4.2 1,-0.3 5,-0.2 0.860 112.4 58.4 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109.6 46.8 -83.5 -41.2 65.0 4.2 -3.7 224 97 B T H <> S+ 0 0 2 -3,-0.9 4,-0.8 1,-0.2 -2,-0.2 0.908 119.1 43.2 -62.5 -41.2 65.3 1.9 -0.6 225 98 B K H X S+ 0 0 42 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.644 107.9 59.3 -83.9 -14.7 62.6 4.0 1.1 226 99 B G H > S+ 0 0 2 -4,-0.5 4,-2.8 -5,-0.3 -1,-0.2 0.861 103.4 51.4 -77.0 -38.3 60.5 4.2 -2.0 227 100 B V H X S+ 0 0 5 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.780 111.4 51.1 -66.0 -25.1 60.2 0.4 -2.0 228 101 B G H X S+ 0 0 5 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.900 114.1 39.1 -78.2 -45.5 59.2 0.9 1.7 229 102 B I H X S+ 0 0 86 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.884 113.0 59.0 -69.7 -36.8 56.5 3.4 1.1 230 103 B S H X S+ 0 0 16 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.904 108.7 44.9 -54.8 -44.1 55.5 1.5 -2.1 231 104 B Y H X S+ 0 0 19 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.886 112.5 50.0 -70.0 -41.4 54.8 -1.5 0.0 232 105 B A H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 3,-0.4 0.872 110.9 48.8 -66.8 -40.9 52.9 0.4 2.8 233 106 B F H X S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.888 105.9 57.5 -66.1 -38.0 50.6 2.1 0.3 234 107 B E H X S+ 0 0 7 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.706 110.2 46.1 -65.3 -19.7 49.9 -1.2 -1.4 235 108 B H H X S+ 0 0 16 -4,-0.6 4,-2.3 -3,-0.4 -2,-0.2 0.778 106.5 55.6 -90.9 -31.9 48.7 -2.3 2.0 236 109 B L H X S+ 0 0 39 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.959 111.4 47.6 -53.8 -49.3 46.7 0.8 2.5 237 110 B E H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.934 109.1 52.5 -60.1 -50.1 45.1 -0.2 -0.8 238 111 B I H X S+ 0 0 8 -4,-1.4 4,-3.0 1,-0.2 5,-0.3 0.977 110.3 46.8 -45.4 -68.5 44.6 -3.8 0.4 239 112 B A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 114.1 49.1 -43.7 -49.0 42.8 -2.8 3.6 240 113 B S H X S+ 0 0 18 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.916 112.8 45.2 -61.3 -45.0 40.6 -0.4 1.7 241 114 B Y H X S+ 0 0 0 -4,-2.9 4,-2.3 -3,-0.3 -1,-0.2 0.861 109.4 55.3 -71.7 -34.8 39.6 -2.8 -1.0 242 115 B R H X S+ 0 0 72 -4,-3.0 4,-0.9 -5,-0.3 -1,-0.2 0.953 110.7 46.4 -56.3 -48.0 38.9 -5.6 1.5 243 116 B A H X S+ 0 0 6 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.687 108.7 56.8 -72.0 -18.0 36.5 -3.2 3.2 244 117 B L H X S+ 0 0 2 -4,-1.1 4,-2.2 2,-0.2 5,-0.3 0.880 100.1 56.3 -74.1 -42.1 35.0 -2.2 -0.1 245 118 B V H X S+ 0 0 7 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.804 110.7 47.7 -56.3 -28.2 34.1 -5.9 -0.9 246 119 B V H X S+ 0 0 16 -4,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.864 110.4 47.9 -82.0 -40.1 32.2 -5.7 2.4 247 120 B A H X S+ 0 0 2 -4,-1.5 4,-0.6 2,-0.2 -96,-0.2 0.730 116.3 47.5 -71.4 -22.9 30.4 -2.4 1.7 248 121 B A H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.893 111.8 47.3 -80.6 -47.2 29.5 -3.9 -1.7 249 122 B R H ><5S+ 0 0 116 -4,-1.8 3,-2.6 -5,-0.3 -2,-0.2 0.977 112.6 49.4 -56.7 -55.8 28.3 -7.2 -0.3 250 123 B S H 3<5S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 111.2 51.1 -50.9 -34.1 26.2 -5.5 2.3 251 124 B A T 3<5S- 0 0 23 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.474 112.4-123.2 -84.1 -3.6 24.8 -3.3 -0.4 252 125 B G T < 5 + 0 0 29 -3,-2.6 2,-1.0 -4,-0.4 -3,-0.2 0.768 69.1 136.5 63.5 25.4 24.0 -6.3 -2.5 253 126 B E >< + 0 0 8 -5,-2.4 4,-1.8 1,-0.2 -1,-0.2 -0.772 22.3 168.9 -97.6 84.0 26.0 -4.9 -5.3 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