==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 01-MAY-13 4BL4 . COMPND 2 MOLECULE: COMPLEMENT REGULATOR-ACQUIRING SURFACE PROTEIN 1 . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA BURGDORFERI; . AUTHOR J.J.E.CAESAR,R.WALLICH,P.KRAICZY,P.F.ZIPFEL,S.M.LEA . 720 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 81.1 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 . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 488 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.9 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 0 0 0 0 4 0 0 0 0 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 4 0 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 70 A E 0 0 144 0, 0.0 120,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.0 -27.9 -7.9 -98.2 2 71 A T > + 0 0 99 0, 0.0 4,-1.7 0, 0.0 3,-0.1 -0.927 360.0 58.8 -88.6 21.1 -30.7 -8.0 -99.1 3 72 A I H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.853 103.3 58.1 -68.4 -33.9 -31.5 -7.0 -95.4 4 73 A A H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.796 107.1 46.1 -63.3 -33.0 -29.4 -3.9 -96.2 5 74 A S H > S+ 0 0 52 2,-0.2 4,-1.3 -3,-0.1 -1,-0.2 0.855 114.1 48.3 -75.2 -40.7 -31.8 -3.1 -99.2 6 75 A E H X S+ 0 0 102 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.891 112.7 48.3 -64.6 -46.9 -34.8 -3.7 -96.9 7 76 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.902 109.9 49.7 -63.8 -48.2 -33.4 -1.5 -94.0 8 77 A K H X S+ 0 0 109 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.829 114.7 47.0 -60.4 -35.0 -32.5 1.5 -96.3 9 78 A A H X S+ 0 0 61 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.888 113.0 46.2 -73.8 -43.7 -36.1 1.3 -97.8 10 79 A I H X S+ 0 0 21 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.758 112.6 53.5 -70.7 -24.5 -37.8 1.1 -94.3 11 80 A G H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.845 108.3 47.3 -75.0 -39.5 -35.5 4.0 -93.2 12 81 A K H X S+ 0 0 138 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.887 111.3 53.5 -66.1 -40.8 -36.6 6.1 -96.1 13 82 A E H X S+ 0 0 87 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.905 110.6 45.4 -58.2 -50.6 -40.3 5.2 -95.2 14 83 A L H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.817 110.6 53.9 -64.4 -37.5 -39.7 6.3 -91.5 15 84 A E H X S+ 0 0 48 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.795 109.0 48.9 -70.1 -28.5 -38.0 9.6 -92.7 16 85 A D H X S+ 0 0 73 -4,-1.5 4,-2.6 2,-0.2 3,-0.3 0.947 109.2 51.8 -71.7 -50.1 -41.1 10.3 -94.9 17 86 A Q H X S+ 0 0 45 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.833 112.5 48.2 -50.4 -41.5 -43.5 9.6 -91.9 18 87 A K H X S+ 0 0 38 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.814 110.7 49.2 -70.5 -39.6 -41.3 12.1 -89.9 19 88 A K H X S+ 0 0 114 -4,-1.4 4,-1.4 -3,-0.3 -2,-0.2 0.902 113.9 44.8 -70.2 -43.7 -41.3 14.8 -92.6 20 89 A E H X S+ 0 0 103 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.876 113.4 50.5 -68.7 -37.9 -45.2 14.7 -93.1 21 90 A E H X S+ 0 0 5 -4,-1.8 4,-2.7 -5,-0.3 5,-0.2 0.924 106.6 55.5 -68.5 -37.1 -45.8 14.7 -89.3 22 91 A N H X S+ 0 0 73 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.846 112.6 42.8 -58.5 -38.8 -43.4 17.7 -88.9 23 92 A I H X S+ 0 0 125 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.942 115.3 48.0 -71.1 -51.7 -45.6 19.6 -91.5 24 93 A Q H X S+ 0 0 60 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.802 112.9 48.9 -59.2 -36.1 -49.0 18.4 -90.0 25 94 A I H X S+ 0 0 11 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.889 106.7 56.8 -72.2 -40.3 -47.8 19.3 -86.4 26 95 A A H X S+ 0 0 56 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.843 106.1 49.7 -59.4 -39.0 -46.7 22.8 -87.6 27 96 A K H X S+ 0 0 91 -4,-1.6 4,-2.7 2,-0.2 3,-0.4 0.883 106.8 54.8 -68.9 -39.0 -50.2 23.6 -88.9 28 97 A I H <>S+ 0 0 0 -4,-1.2 5,-1.7 1,-0.2 6,-0.5 0.832 106.1 53.5 -61.6 -35.2 -51.8 22.5 -85.6 29 98 A A H <5S+ 0 0 40 -4,-1.6 3,-0.3 3,-0.2 -1,-0.2 0.803 113.8 41.3 -69.3 -32.8 -49.5 25.0 -83.8 30 99 A K H <5S+ 0 0 179 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.844 110.0 56.2 -80.4 -39.7 -50.7 27.8 -86.1 31 100 A E T <5S- 0 0 97 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.286 110.7-130.2 -75.7 7.0 -54.4 26.6 -85.9 32 101 A K T 5S+ 0 0 179 -3,-0.3 -3,-0.2 -5,-0.1 -4,-0.1 0.671 78.5 107.9 44.5 45.8 -53.9 27.0 -82.1 33 102 A F < + 0 0 8 -5,-1.7 2,-1.5 1,-0.0 3,-0.2 0.041 33.9 122.7-129.1 26.7 -55.2 23.6 -80.8 34 103 A D > + 0 0 20 -6,-0.5 3,-1.1 1,-0.2 4,-0.3 -0.649 29.6 167.1 -88.3 75.0 -51.7 22.2 -79.9 35 104 A F G >> + 0 0 15 -2,-1.5 3,-1.2 1,-0.2 4,-0.9 0.774 66.1 69.6 -63.4 -30.3 -52.7 21.5 -76.2 36 105 A L G 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.718 85.9 67.8 -63.8 -21.9 -49.6 19.3 -75.7 37 106 A S G <4 S+ 0 0 49 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.834 117.3 24.1 -64.2 -34.0 -47.4 22.4 -75.9 38 107 A T T <4 S+ 0 0 103 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.2 0.381 94.9 127.8-109.6 -5.2 -48.9 23.6 -72.6 39 108 A F < + 0 0 5 -4,-0.9 2,-0.3 13,-0.0 -3,-0.0 -0.447 30.8 178.9 -70.7 123.7 -50.0 20.2 -71.1 40 109 A K - 0 0 77 -2,-0.3 7,-0.1 1,-0.2 -2,-0.0 -0.935 21.6-159.0-119.1 140.0 -48.8 19.3 -67.5 41 110 A V S S+ 0 0 10 -2,-0.3 -1,-0.2 47,-0.0 47,-0.0 0.960 87.4 27.1 -79.6 -63.4 -49.7 16.0 -65.7 42 111 A G S S- 0 0 9 45,-0.1 3,-0.3 1,-0.1 39,-0.0 -0.191 94.9-108.4 -83.9-179.5 -49.0 17.4 -62.2 43 112 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.913 112.7 37.7 -82.7 -41.4 -49.4 21.2 -61.3 44 113 A Y S S+ 0 0 222 2,-0.0 2,-0.2 -4,-0.0 0, 0.0 0.100 85.7 139.3 -96.7 19.0 -45.7 22.2 -60.9 45 114 A D - 0 0 67 -3,-0.3 2,-0.2 1,-0.1 0, 0.0 -0.470 49.2-132.3 -71.0 131.8 -44.4 20.0 -63.7 46 115 A L - 0 0 160 -2,-0.2 2,-0.5 -6,-0.0 -1,-0.1 -0.579 17.2-136.8 -82.3 145.3 -41.7 21.4 -66.1 47 116 A I - 0 0 56 -2,-0.2 2,-0.5 -7,-0.1 -7,-0.1 -0.939 10.2-158.9-112.5 121.0 -42.2 21.1 -69.9 48 117 A D > - 0 0 76 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.875 12.0-146.7 -99.2 125.1 -39.3 20.0 -72.3 49 118 A E H > S+ 0 0 165 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.799 98.2 49.4 -58.0 -38.1 -39.9 21.0 -76.0 50 119 A D H > S+ 0 0 88 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.862 113.1 45.7 -70.7 -41.5 -38.0 17.9 -77.3 51 120 A I H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.906 114.5 49.0 -67.1 -45.2 -39.9 15.4 -75.1 52 121 A Q H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.869 105.2 58.8 -62.6 -40.3 -43.2 17.2 -76.0 53 122 A M H X S+ 0 0 43 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.918 107.3 46.2 -54.5 -49.3 -42.3 17.0 -79.8 54 123 A K H X S+ 0 0 6 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.880 112.8 49.8 -60.7 -41.5 -42.1 13.2 -79.6 55 124 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.928 111.1 49.6 -63.7 -45.5 -45.4 13.0 -77.6 56 125 A K H X S+ 0 0 21 -4,-2.9 4,-2.7 1,-0.2 5,-0.5 0.898 108.3 54.9 -57.3 -46.5 -47.1 15.3 -80.3 57 126 A R H X S+ 0 0 24 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.899 115.8 36.7 -54.4 -49.3 -45.7 13.0 -83.0 58 127 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 40,-0.2 -2,-0.2 0.954 122.8 40.5 -70.2 -55.8 -47.3 9.9 -81.5 59 128 A L H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -3,-0.2 0.915 117.7 44.7 -66.8 -45.4 -50.6 11.4 -80.2 60 129 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.3 6,-0.2 0.799 114.1 52.1 -70.9 -26.2 -51.4 13.7 -83.2 61 130 A S H ><5S+ 0 0 15 -4,-0.9 3,-1.8 -5,-0.5 -2,-0.2 0.930 107.9 50.1 -69.3 -50.3 -50.5 10.8 -85.7 62 131 A S H 3<5S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.735 113.1 47.6 -59.7 -27.4 -52.8 8.3 -83.9 63 132 A L T ><5S- 0 0 2 -4,-1.1 3,-1.9 -5,-0.1 -1,-0.3 0.228 112.5-120.1 -99.3 11.7 -55.7 10.9 -84.1 64 133 A D T < 5 - 0 0 73 -3,-1.8 -3,-0.2 1,-0.3 3,-0.1 0.743 58.2 -76.5 52.6 32.3 -55.0 11.7 -87.8 65 134 A Y T 3 - 0 0 104 -3,-1.9 4,-2.5 -6,-0.2 -1,-0.2 -0.589 39.9-147.2 -74.6 122.9 -58.1 15.8 -86.6 67 136 A K H > S+ 0 0 109 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.854 97.7 56.0 -55.5 -43.0 -59.0 18.9 -84.4 68 137 A E H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 113.0 39.3 -57.5 -51.0 -62.2 17.1 -83.1 69 138 A N H > S+ 0 0 20 -6,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.870 113.9 54.1 -68.8 -41.6 -60.2 14.1 -81.8 70 139 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.920 111.8 45.5 -60.6 -43.8 -57.3 16.2 -80.5 71 140 A E H X S+ 0 0 60 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.893 110.9 53.4 -65.6 -40.7 -59.8 18.3 -78.5 72 141 A K H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.875 107.7 50.3 -63.0 -37.8 -61.6 15.2 -77.2 73 142 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.908 108.0 53.6 -65.0 -42.5 -58.2 13.7 -76.0 74 143 A K H X S+ 0 0 77 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.930 110.1 48.1 -54.0 -48.9 -57.5 17.0 -74.1 75 144 A E H X S+ 0 0 71 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.865 111.1 50.1 -59.6 -44.5 -61.0 16.6 -72.4 76 145 A I H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.937 113.6 44.4 -60.5 -53.3 -60.3 12.9 -71.4 77 146 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.897 111.5 53.9 -60.5 -41.7 -56.9 13.8 -69.9 78 147 A E H X S+ 0 0 79 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.861 107.7 51.4 -59.3 -40.7 -58.4 16.9 -68.1 79 148 A I H >< S+ 0 0 24 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.932 114.3 41.7 -61.0 -51.7 -61.1 14.6 -66.5 80 149 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 6,-0.4 0.797 104.2 67.8 -67.6 -31.8 -58.5 12.1 -65.2 81 150 A K H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.698 85.0 73.1 -59.1 -28.2 -56.1 14.9 -64.1 82 151 A K T << S+ 0 0 151 -3,-0.9 2,-0.6 -4,-0.6 -1,-0.2 0.877 93.4 56.8 -57.2 -42.0 -58.7 15.9 -61.4 83 152 A N S X S- 0 0 51 -3,-0.9 3,-1.9 -4,-0.4 4,-0.2 -0.851 74.4-151.0 -98.7 121.8 -57.8 12.9 -59.2 84 153 A S G > S+ 0 0 82 -2,-0.6 3,-0.8 1,-0.3 4,-0.3 0.620 93.7 72.7 -62.2 -17.1 -54.1 12.6 -58.3 85 154 A E G 3 S+ 0 0 162 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.682 94.6 53.3 -69.5 -21.9 -54.6 8.8 -58.2 86 155 A H G <> S+ 0 0 25 -3,-1.9 4,-1.8 -6,-0.4 -1,-0.2 0.456 81.1 93.9 -92.7 -4.8 -54.7 8.9 -62.1 87 156 A Y H <> S+ 0 0 76 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.832 84.3 50.1 -56.9 -39.6 -51.4 10.8 -62.4 88 157 A N H > S+ 0 0 104 -3,-0.3 4,-1.6 -4,-0.3 -1,-0.2 0.932 110.4 47.0 -66.3 -50.3 -49.4 7.6 -62.8 89 158 A I H > S+ 0 0 4 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.805 109.7 54.4 -66.1 -30.0 -51.6 6.0 -65.6 90 159 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.936 109.4 49.3 -65.3 -45.3 -51.6 9.4 -67.6 91 160 A G H X>S+ 0 0 17 -4,-1.6 4,-2.5 2,-0.2 5,-1.2 0.804 103.7 59.4 -61.5 -35.1 -47.8 9.2 -67.4 92 161 A R H <>S+ 0 0 90 -4,-1.6 5,-1.8 3,-0.2 -1,-0.2 0.925 115.4 35.4 -60.4 -44.3 -47.8 5.6 -68.7 93 162 A L H <>S+ 0 0 0 -4,-1.5 5,-2.5 -3,-0.2 -2,-0.2 0.932 124.2 41.1 -73.0 -52.4 -49.6 6.8 -71.9 94 163 A I H <>S+ 0 0 0 -4,-3.0 5,-0.9 3,-0.2 -3,-0.2 0.909 132.6 13.5 -66.6 -48.7 -47.9 10.3 -72.2 95 164 A Y T X>S+ 0 0 70 -4,-2.5 5,-2.1 3,-0.2 4,-0.8 0.934 127.7 40.8 -97.4 -68.1 -44.3 9.3 -71.4 96 165 A H T 4< - 0 0 6 -4,-0.8 3,-0.9 -3,-0.4 -2,-0.1 0.127 19.5-136.1 125.6 119.8 -24.6 2.9 -92.1 116 185 A V G > S+ 0 0 8 -4,-0.4 3,-1.2 1,-0.2 8,-0.1 0.731 105.8 67.8 -65.3 -25.3 -26.1 -0.5 -92.5 117 186 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.2 -113,-0.1 -2,-0.1 0.771 90.0 62.1 -63.7 -31.9 -22.6 -1.7 -93.6 118 187 A N G < S+ 0 0 105 -3,-0.9 2,-0.4 -7,-0.2 -1,-0.3 0.196 94.7 84.9 -81.4 13.6 -21.2 -1.0 -90.1 119 188 A L S < S- 0 0 26 -3,-1.2 2,-0.0 2,-0.0 -3,-0.0 -0.962 77.4-126.2-122.9 136.8 -23.7 -3.7 -88.8 120 189 A S > - 0 0 59 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.243 35.4-101.1 -71.5 164.6 -23.2 -7.5 -88.6 121 190 A Q H > S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.848 126.3 48.3 -57.3 -31.5 -25.7 -10.0 -90.2 122 191 A E H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 111.9 46.8 -76.2 -41.8 -27.1 -10.6 -86.7 123 192 A E H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.855 112.3 51.8 -67.2 -39.2 -27.4 -6.8 -85.8 124 193 A S H X S+ 0 0 10 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.876 109.9 49.3 -63.7 -42.8 -29.0 -6.2 -89.2 125 194 A K H X S+ 0 0 87 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.906 113.0 46.5 -62.2 -47.6 -31.6 -8.9 -88.6 126 195 A S H X S+ 0 0 62 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.867 109.8 53.3 -65.3 -41.5 -32.4 -7.5 -85.1 127 196 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 109.8 47.6 -61.9 -45.0 -32.7 -3.9 -86.3 128 197 A L H X S+ 0 0 16 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 114.1 47.7 -61.2 -43.4 -35.3 -4.9 -89.0 129 198 A M H X S+ 0 0 119 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.920 112.1 49.7 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F < + 0 0 6 -4,-0.9 2,-0.3 13,-0.0 -3,-0.0 -0.448 30.6 178.6 -70.4 121.7 -81.0 31.7 -72.2 221 109 B K - 0 0 77 -2,-0.3 7,-0.1 1,-0.2 -2,-0.0 -0.932 21.7-159.0-117.5 139.3 -82.9 30.7 -75.4 222 110 B V S S+ 0 0 10 -2,-0.3 -1,-0.2 47,-0.0 47,-0.0 0.961 87.3 27.3 -79.4 -63.2 -84.6 27.2 -75.9 223 111 B G S S- 0 0 8 1,-0.1 3,-0.3 45,-0.1 39,-0.0 -0.187 95.0-108.5 -83.6-179.4 -84.6 27.4 -79.7 224 112 B P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.913 112.8 37.7 -82.8 -41.0 -82.0 29.5 -81.7 225 113 B Y S S+ 0 0 224 2,-0.0 2,-0.2 -4,-0.0 0, 0.0 0.096 86.0 139.6 -96.6 18.3 -84.1 32.5 -83.0 226 114 B D - 0 0 63 -3,-0.3 2,-0.2 1,-0.1 0, 0.0 -0.471 48.7-133.1 -71.1 132.2 -86.2 32.7 -79.8 227 115 B L - 0 0 162 -2,-0.2 2,-0.5 -6,-0.0 -1,-0.1 -0.586 17.6-137.0 -82.5 144.8 -87.0 36.2 -78.5 228 116 B I - 0 0 56 -2,-0.2 2,-0.5 -7,-0.1 -7,-0.1 -0.938 9.1-156.8-112.4 122.2 -86.5 36.9 -74.7 229 117 B D > - 0 0 77 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.870 10.9-147.1 -98.1 124.9 -89.0 38.8 -72.5 230 118 B E H > S+ 0 0 171 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.799 98.0 49.2 -57.1 -38.8 -87.6 40.5 -69.3 231 119 B D H > S+ 0 0 91 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.863 113.1 45.8 -70.9 -41.5 -90.8 40.0 -67.3 232 120 B I H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.907 114.5 49.0 -66.8 -45.1 -91.2 36.3 -68.2 233 121 B Q H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.868 105.2 58.7 -62.6 -40.5 -87.5 35.7 -67.5 234 122 B M H X S+ 0 0 45 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.920 107.3 46.2 -54.6 -49.4 -87.8 37.5 -64.1 235 123 B K H X S+ 0 0 7 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.878 112.9 49.9 -60.6 -41.3 -90.4 34.9 -63.0 236 124 B I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.928 111.0 49.5 -63.6 -45.7 -88.3 32.0 -64.3 237 125 B K H X S+ 0 0 28 -4,-2.9 4,-2.7 1,-0.2 5,-0.5 0.898 108.3 54.9 -57.4 -46.5 -85.2 33.4 -62.4 238 126 B R H X S+ 0 0 23 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.899 116.0 36.7 -54.3 -49.3 -87.4 33.7 -59.2 239 127 B T H X S+ 0 0 1 -4,-1.9 4,-2.1 40,-0.2 -2,-0.2 0.954 122.8 40.4 -70.1 -56.2 -88.4 30.0 -59.4 240 128 B L H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 -3,-0.2 0.909 117.7 44.8 -67.0 -45.0 -85.1 28.4 -60.6 241 129 B Y H <>S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.3 6,-0.2 0.805 114.2 51.9 -71.0 -26.7 -82.6 30.5 -58.5 242 130 B S H ><5S+ 0 0 16 -4,-1.0 3,-1.7 -5,-0.5 -2,-0.2 0.930 108.4 49.8 -68.8 -49.3 -84.8 30.0 -55.4 243 131 B S H 3<5S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.757 112.8 47.7 -60.2 -30.3 -84.9 26.2 -55.8 244 132 B L T ><5S- 0 0 2 -4,-1.2 3,-1.6 -5,-0.1 -1,-0.3 0.282 113.0-119.5 -95.5 8.5 -81.1 26.2 -56.2 245 133 B D T < 5 - 0 0 70 -3,-1.7 -3,-0.2 1,-0.3 3,-0.1 0.740 57.9 -76.7 56.5 31.7 -80.6 28.4 -53.1 246 134 B Y T 3 - 0 0 106 -3,-1.6 4,-2.5 -6,-0.2 -1,-0.2 -0.587 40.1-147.0 -74.8 123.1 -75.7 28.8 -55.3 248 136 B K H > S+ 0 0 108 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.851 97.7 55.8 -55.6 -42.9 -73.4 29.6 -58.2 249 137 B E H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 113.1 39.5 -57.9 -50.8 -72.3 25.9 -58.4 250 138 B N H > S+ 0 0 21 -6,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.870 114.0 53.9 -68.3 -41.8 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