==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 21-JAN-12 3VOE . COMPND 2 MOLECULE: MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN MARR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.LOU,R.ZHU,Z.HAO . 271 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 72.7 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 . 16 5.9 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 . 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 54.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 3 0 0 0 2 4 1 0 0 0 1 1 0 0 1 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 . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A N 0 0 199 0, 0.0 2,-0.3 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 31.5 -7.3 -13.6 -12.6 2 10 A E - 0 0 151 2,-0.0 2,-1.4 0, 0.0 0, 0.0 -0.860 360.0-105.6-111.1 146.9 -9.5 -14.3 -15.6 3 11 A I + 0 0 151 -2,-0.3 261,-0.0 0, 0.0 0, 0.0 -0.547 42.5 179.6 -74.0 91.7 -9.6 -12.3 -18.8 4 12 A I - 0 0 47 -2,-1.4 264,-0.1 260,-0.1 5,-0.0 -0.834 30.4-114.8 -91.8 130.9 -12.9 -10.3 -18.6 5 13 A P > - 0 0 47 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.282 19.7-114.0 -68.0 150.9 -13.5 -8.0 -21.6 6 14 A L H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.869 114.3 58.4 -47.6 -45.6 -13.6 -4.2 -21.3 7 15 A G H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 112.0 38.2 -54.6 -48.7 -17.3 -4.2 -22.2 8 16 A R H > S+ 0 0 131 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.846 114.3 56.1 -73.2 -35.7 -18.3 -6.4 -19.3 9 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.944 106.7 48.7 -59.8 -51.1 -15.8 -4.8 -17.0 10 18 A I H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.886 111.4 52.2 -58.3 -38.0 -17.2 -1.3 -17.6 11 19 A H H X S+ 0 0 46 -4,-1.4 4,-3.3 -5,-0.3 5,-0.2 0.963 110.8 45.1 -61.2 -53.6 -20.7 -2.7 -16.9 12 20 A M H X S+ 0 0 82 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.910 115.8 46.5 -57.7 -46.1 -19.8 -4.3 -13.6 13 21 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.839 113.9 49.5 -68.1 -33.5 -17.9 -1.2 -12.4 14 22 A N H X S+ 0 0 11 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.941 110.1 49.7 -65.6 -48.8 -20.8 1.0 -13.6 15 23 A Q H X S+ 0 0 41 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.894 110.6 50.4 -59.6 -41.8 -23.4 -1.2 -11.8 16 24 A K H X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.919 109.4 51.9 -58.8 -45.4 -21.3 -1.1 -8.6 17 25 A K H X S+ 0 0 10 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.907 108.7 50.8 -56.2 -44.6 -21.1 2.7 -9.0 18 26 A D H X S+ 0 0 29 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.877 110.6 48.6 -63.1 -39.3 -24.9 2.8 -9.3 19 27 A R H X S+ 0 0 124 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 111.1 48.5 -68.8 -45.3 -25.4 0.7 -6.1 20 28 A L H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.848 108.0 57.8 -60.3 -34.6 -23.0 2.9 -4.1 21 29 A L H < S+ 0 0 8 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.908 105.7 48.6 -62.6 -43.0 -24.9 5.9 -5.4 22 30 A N H >X S+ 0 0 70 -4,-1.7 4,-1.2 1,-0.2 3,-1.0 0.913 110.8 50.9 -63.0 -44.3 -28.2 4.5 -4.0 23 31 A E H >< S+ 0 0 125 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.952 109.8 48.0 -56.5 -53.3 -26.6 3.8 -0.6 24 32 A Y T 3< S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.477 112.6 52.2 -72.3 -0.9 -25.1 7.3 -0.2 25 33 A L T X4>S+ 0 0 0 -3,-1.0 3,-1.4 -4,-0.3 5,-0.8 0.631 83.2 81.7-111.6 -20.6 -28.4 8.9 -1.2 26 34 A S G X<5S+ 0 0 81 -4,-1.2 3,-2.4 -3,-0.8 -2,-0.1 0.911 86.8 60.7 -49.8 -49.4 -30.9 7.2 1.2 27 35 A P G 3 5S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.735 106.5 47.6 -51.0 -26.2 -29.9 9.7 4.0 28 36 A L G < 5S- 0 0 42 -3,-1.4 -2,-0.2 2,-0.2 3,-0.1 0.445 111.4-122.5 -95.5 -1.5 -31.2 12.5 1.8 29 37 A D T < 5S+ 0 0 129 -3,-2.4 2,-0.3 -4,-0.4 -3,-0.2 0.973 73.1 114.1 53.4 60.3 -34.5 10.8 0.9 30 38 A I < - 0 0 8 -5,-0.8 -2,-0.2 -8,-0.1 -1,-0.2 -0.905 59.6-128.8-158.2 129.1 -33.9 10.8 -2.9 31 39 A T > - 0 0 64 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.169 25.7-110.4 -76.8 169.1 -33.4 7.8 -5.3 32 40 A A H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.916 119.9 49.5 -64.4 -42.8 -30.5 7.4 -7.8 33 41 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.959 110.2 49.6 -59.8 -52.5 -33.0 7.8 -10.7 34 42 A Q H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.871 110.6 52.6 -53.9 -38.0 -34.5 11.0 -9.2 35 43 A F H X S+ 0 0 15 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.890 106.5 50.5 -67.9 -42.2 -30.9 12.3 -8.7 36 44 A K H X S+ 0 0 59 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 108.4 54.3 -63.6 -40.6 -29.9 11.7 -12.4 37 45 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.930 107.1 50.0 -56.6 -48.3 -33.0 13.6 -13.5 38 46 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.875 110.8 50.5 -59.2 -37.9 -32.1 16.6 -11.4 39 47 A C H X S+ 0 0 27 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.840 110.6 47.8 -71.5 -35.9 -28.6 16.6 -12.8 40 48 A S H X S+ 0 0 24 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.931 112.7 47.8 -71.6 -45.4 -29.8 16.5 -16.5 41 49 A I H < S+ 0 0 1 -4,-2.5 51,-0.2 1,-0.2 -2,-0.2 0.880 112.2 52.8 -58.4 -38.0 -32.4 19.3 -15.9 42 50 A R H < S+ 0 0 113 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.937 107.6 50.0 -60.7 -47.1 -29.5 21.2 -14.2 43 51 A C H < S+ 0 0 117 -4,-2.2 2,-0.8 1,-0.2 -2,-0.2 0.885 115.9 41.8 -65.6 -45.6 -27.2 20.7 -17.2 44 52 A A S < S- 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 3,-0.0 -0.912 86.1-147.5 -99.7 103.9 -29.8 21.9 -19.7 45 53 A A S S+ 0 0 80 -2,-0.8 47,-0.4 1,-0.1 2,-0.4 0.799 84.5 18.8 -43.0 -40.9 -31.3 24.9 -17.9 46 54 A C S S+ 0 0 58 45,-0.1 2,-0.3 -3,-0.1 45,-0.2 -0.999 77.3 169.1-135.8 136.4 -34.6 24.2 -19.6 47 55 A I B -A 90 0A 5 43,-1.7 43,-1.9 -2,-0.4 -6,-0.0 -0.995 31.5-118.1-150.0 145.8 -35.7 20.9 -21.2 48 56 A T > - 0 0 32 -2,-0.3 4,-2.4 41,-0.2 5,-0.2 -0.558 29.4-121.9 -75.2 146.3 -38.8 19.1 -22.6 49 57 A P H > S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.941 116.7 51.0 -48.2 -48.5 -39.9 15.9 -21.0 50 58 A V H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.962 110.7 45.7 -55.1 -57.6 -39.4 14.3 -24.5 51 59 A E H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 114.0 51.6 -53.6 -34.8 -35.9 15.7 -24.9 52 60 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.886 103.6 55.5 -74.5 -40.0 -35.2 14.5 -21.3 53 61 A K H X>S+ 0 0 90 -4,-2.9 4,-1.5 1,-0.2 5,-1.1 0.901 109.8 49.4 -52.3 -42.3 -36.5 11.0 -22.0 54 62 A K H <5S+ 0 0 132 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.918 110.4 47.7 -65.7 -46.9 -33.9 10.9 -24.8 55 63 A V H <5S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 122.5 35.7 -63.3 -34.5 -31.0 12.2 -22.6 56 64 A L H <5S- 0 0 32 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.596 95.5-141.3 -94.7 -14.0 -31.9 9.6 -19.9 57 65 A S T <5 + 0 0 102 -4,-1.5 2,-0.2 -5,-0.2 -3,-0.2 0.893 56.5 132.9 48.4 44.8 -33.0 6.8 -22.3 58 66 A V < - 0 0 55 -5,-1.1 2,-0.3 -6,-0.2 -1,-0.2 -0.594 66.2 -76.6-111.3 176.5 -35.8 5.9 -19.9 59 67 A D > - 0 0 56 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.583 30.1-139.3 -73.5 135.2 -39.5 5.2 -20.3 60 68 A L H > S+ 0 0 69 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.793 105.7 55.6 -65.0 -29.2 -41.6 8.4 -20.8 61 69 A G H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.1 5,-0.2 0.980 110.0 42.8 -61.2 -58.5 -44.2 6.8 -18.5 62 70 A A H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.891 116.0 50.3 -55.2 -42.4 -41.7 6.3 -15.7 63 71 A L H X S+ 0 0 0 -4,-2.6 4,-3.8 2,-0.2 5,-0.2 0.911 107.0 51.1 -66.3 -46.7 -40.3 9.8 -16.3 64 72 A T H X S+ 0 0 53 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.890 115.2 44.5 -60.9 -39.9 -43.6 11.7 -16.3 65 73 A R H X S+ 0 0 178 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.947 114.4 49.0 -62.0 -50.8 -44.4 10.0 -13.0 66 74 A M H X S+ 0 0 25 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.880 109.7 52.0 -59.9 -39.9 -40.9 10.7 -11.7 67 75 A L H X S+ 0 0 0 -4,-3.8 4,-1.7 2,-0.2 -1,-0.2 0.896 108.4 52.1 -60.9 -40.6 -41.3 14.3 -12.8 68 76 A D H X S+ 0 0 88 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.913 107.7 51.0 -61.8 -45.2 -44.6 14.5 -10.8 69 77 A R H X S+ 0 0 156 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.881 111.1 48.3 -58.1 -41.5 -42.9 13.1 -7.7 70 78 A L H X>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 6,-0.9 0.782 106.6 56.5 -74.8 -28.2 -40.2 15.8 -7.9 71 79 A V H ><5S+ 0 0 59 -4,-1.7 3,-0.7 2,-0.2 -2,-0.2 0.935 105.3 52.2 -64.1 -46.8 -42.8 18.5 -8.5 72 80 A C H 3<5S+ 0 0 117 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 107.7 52.0 -49.2 -49.6 -44.4 17.4 -5.1 73 81 A K H 3<5S- 0 0 95 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.741 112.8-123.7 -62.9 -24.4 -40.9 17.7 -3.5 74 82 A G T <<5S+ 0 0 34 -4,-0.9 22,-0.5 -3,-0.7 21,-0.2 0.801 82.3 111.9 81.4 31.8 -40.6 21.3 -4.9 75 83 A W S - 0 0 16 6,-2.0 4,-0.5 1,-0.2 3,-0.2 -0.617 23.0-162.2 -74.8 116.9 -43.5 25.9 -23.7 82 90 A P T 4 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.781 95.3 47.4 -65.8 -25.8 -43.5 29.3 -25.6 83 91 A N T 4 S+ 0 0 154 -3,-0.0 -2,-0.1 2,-0.0 0, 0.0 0.699 128.1 18.4 -83.6 -24.6 -42.5 27.3 -28.7 84 92 A D T 4 - 0 0 81 -3,-0.2 4,-0.1 3,-0.1 0, 0.0 0.812 59.4-162.8-114.3 -69.9 -45.1 24.6 -28.4 85 93 A K S < S+ 0 0 192 -4,-0.5 3,-0.0 2,-0.5 -1,-0.0 0.229 92.6 65.8 86.0 -13.5 -48.2 25.1 -26.2 86 94 A R S S+ 0 0 232 -5,-0.1 2,-0.2 2,-0.0 -3,-0.0 0.451 103.4 52.9-105.4 -9.3 -48.7 21.3 -26.3 87 95 A G S S- 0 0 20 -6,-0.2 -6,-2.0 -38,-0.0 -2,-0.5 -0.713 71.3-138.8-120.3 168.7 -45.4 20.8 -24.4 88 96 A V E - B 0 80A 35 -8,-0.2 2,-0.6 -2,-0.2 -10,-0.0 -0.879 9.6-136.8-121.7 158.7 -43.8 22.0 -21.1 89 97 A L E - B 0 79A 33 -10,-3.8 -10,-2.5 -2,-0.3 -41,-0.2 -0.944 22.0-157.6-113.0 107.2 -40.4 23.0 -20.1 90 98 A V E +AB 47 78A 0 -43,-1.9 -43,-1.7 -2,-0.6 2,-0.3 -0.573 19.4 166.6 -77.2 145.2 -39.3 21.6 -16.8 91 99 A K E - B 0 77A 68 -14,-2.0 -14,-2.4 -2,-0.2 2,-0.2 -0.940 35.6 -87.6-148.4 171.6 -36.6 23.3 -14.8 92 100 A L E - B 0 76A 25 -47,-0.4 -16,-0.3 -2,-0.3 2,-0.2 -0.561 29.5-136.3 -84.3 144.9 -35.1 23.3 -11.3 93 101 A T > - 0 0 43 -18,-1.6 4,-3.2 -2,-0.2 5,-0.2 -0.531 34.9-104.6 -78.6 161.7 -36.3 25.3 -8.3 94 102 A T H > S+ 0 0 122 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.927 128.0 52.7 -47.3 -46.7 -33.8 27.0 -6.1 95 103 A G H > S+ 0 0 29 -21,-0.2 4,-3.0 1,-0.2 5,-0.2 0.959 111.7 42.6 -53.9 -55.6 -34.7 24.2 -3.7 96 104 A G H > S+ 0 0 0 -22,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.815 112.9 54.0 -63.9 -33.7 -34.0 21.5 -6.3 97 105 A A H X S+ 0 0 32 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.930 112.1 44.9 -63.1 -46.1 -30.9 23.3 -7.5 98 106 A A H X S+ 0 0 48 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.947 113.2 49.2 -61.9 -50.9 -29.6 23.3 -3.9 99 107 A I H X S+ 0 0 29 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.877 111.0 50.9 -57.7 -40.3 -30.6 19.6 -3.3 100 108 A C H X S+ 0 0 2 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.909 112.9 44.6 -66.9 -44.2 -28.8 18.6 -6.5 101 109 A E H X S+ 0 0 101 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.918 112.5 53.5 -60.9 -43.7 -25.6 20.4 -5.6 102 110 A Q H X S+ 0 0 88 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.820 109.2 47.6 -64.9 -34.4 -25.8 19.0 -2.1 103 111 A C H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.798 107.0 57.5 -74.5 -30.0 -26.1 15.4 -3.4 104 112 A H H < S+ 0 0 96 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.756 113.3 39.8 -74.9 -26.6 -23.2 16.0 -5.7 105 113 A Q H X S+ 0 0 132 -4,-1.4 4,-1.8 3,-0.2 5,-0.4 0.933 114.3 51.2 -75.6 -59.4 -21.0 16.9 -2.8 106 114 A L H < S+ 0 0 75 -4,-2.4 4,-0.5 1,-0.3 -2,-0.2 0.787 127.7 25.3 -52.5 -35.1 -22.3 14.3 -0.3 107 115 A V T X S+ 0 0 5 -4,-2.0 4,-1.3 3,-0.1 5,-0.4 0.529 110.0 76.6-106.0 -12.2 -21.8 11.5 -2.9 108 116 A G H > S+ 0 0 37 -5,-0.3 4,-1.0 -3,-0.2 -2,-0.2 0.971 105.5 30.4 -59.4 -56.2 -19.0 13.4 -4.8 109 117 A Q H X S+ 0 0 127 -4,-1.8 4,-2.3 2,-0.1 -2,-0.1 0.957 124.3 43.2 -67.8 -52.7 -16.3 12.7 -2.2 110 118 A D H > S+ 0 0 57 -4,-0.5 4,-2.8 -5,-0.4 5,-0.2 0.834 107.5 55.8 -77.5 -38.0 -17.4 9.4 -0.8 111 119 A L H X S+ 0 0 18 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.954 113.6 44.9 -52.4 -50.0 -18.4 7.5 -4.0 112 120 A H H X S+ 0 0 56 -4,-1.0 4,-2.7 -5,-0.4 -2,-0.2 0.932 112.3 51.4 -58.6 -48.1 -14.9 8.3 -5.2 113 121 A Q H < S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 114.3 43.1 -59.3 -40.9 -13.3 7.3 -1.9 114 122 A E H >< S+ 0 0 57 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.882 114.3 49.4 -75.0 -40.8 -15.2 4.0 -1.9 115 123 A L H 3< S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.910 114.9 43.7 -62.9 -43.8 -14.5 3.2 -5.6 116 124 A T T >< S+ 0 0 20 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.066 79.3 117.8 -94.0 24.8 -10.8 3.9 -5.4 117 125 A K T < S+ 0 0 113 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.876 81.0 37.4 -59.7 -42.2 -10.4 2.0 -2.1 118 126 A N T 3 S+ 0 0 66 -3,-0.5 2,-0.4 151,-0.2 -1,-0.3 0.253 105.1 93.6 -95.7 12.5 -8.0 -0.6 -3.5 119 127 A L < - 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0 0 25 -2,-0.3 4,-3.0 41,-0.2 5,-0.2 -0.702 28.5-116.2 -94.6 151.7 -38.1 -13.6 -10.9 185 57 B P H > S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.865 118.8 52.0 -49.5 -40.9 -39.0 -10.2 -12.4 186 58 B V H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 10,-0.0 0.935 113.3 42.2 -62.2 -48.4 -38.3 -8.7 -8.9 187 59 B E H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.822 114.4 53.1 -67.2 -31.9 -34.9 -10.4 -8.7 188 60 B L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.803 104.3 55.9 -72.8 -31.8 -34.3 -9.4 -12.3 189 61 B K H X>S+ 0 0 89 -4,-2.2 4,-2.3 -5,-0.2 5,-0.9 0.897 107.2 49.5 -64.1 -42.4 -35.2 -5.8 -11.6 190 62 B K H <5S+ 0 0 122 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.1 0.954 112.5 44.9 -64.3 -52.1 -32.5 -5.6 -8.9 191 63 B V H <5S+ 0 0 62 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.924 122.2 37.4 -58.5 -47.8 -29.7 -7.1 -11.0 192 64 B L H <5S- 0 0 27 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.789 96.2-142.7 -76.4 -29.8 -30.5 -4.9 -14.0 193 65 B S T <5 + 0 0 60 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.926 52.4 131.1 63.5 48.1 -31.4 -1.8 -12.0 194 66 B V < - 0 0 73 -5,-0.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.887 66.5 -73.1-127.2 161.1 -34.3 -0.7 -14.3 195 67 B D > - 0 0 78 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.193 36.5-134.7 -54.8 138.4 -37.9 0.3 -13.7 196 68 B L H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.848 101.8 48.0 -63.6 -38.1 -40.2 -2.6 -12.8 197 69 B G H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.941 112.1 46.1 -72.4 -49.6 -43.0 -1.5 -15.2 198 70 B A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 113.5 52.1 -58.7 -38.5 -40.8 -1.0 -18.3 199 71 B L H X S+ 0 0 4 -4,-1.9 4,-3.3 2,-0.2 -1,-0.2 0.870 107.6 51.5 -65.1 -37.9 -39.2 -4.3 -17.5 200 72 B T H X S+ 0 0 49 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.878 110.7 47.5 -70.1 -39.0 -42.5 -6.1 -17.2 201 73 B R H X S+ 0 0 149 -4,-2.2 4,-2.0 2,-0.2 3,-0.4 0.933 114.2 48.5 -62.5 -46.7 -43.6 -4.7 -20.6 202 74 B M H X S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.942 105.1 56.7 -58.1 -51.9 -40.2 -5.8 -22.0 203 75 B L H X S+ 0 0 0 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.822 109.3 49.0 -48.9 -33.4 -40.5 -9.3 -20.5 204 76 B D H X S+ 0 0 82 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.874 107.2 52.5 -78.7 -40.3 -43.8 -9.6 -22.5 205 77 B R H X S+ 0 0 138 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.971 110.7 49.0 -50.3 -54.1 -42.2 -8.4 -25.8 206 78 B L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.3 6,-1.4 0.742 107.5 55.3 -64.8 -24.5 -39.6 -11.1 -25.3 207 79 B V H ><5S+ 0 0 55 -4,-0.8 3,-1.0 -5,-0.3 -1,-0.3 0.888 106.6 49.6 -72.2 -42.2 -42.3 -13.6 -24.6 208 80 B C H 3<5S+ 0 0 117 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.850 106.6 57.3 -60.9 -35.2 -44.0 -12.8 -27.9 209 81 B K T 3<5S- 0 0 87 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.618 115.1-120.5 -71.7 -13.2 -40.6 -13.2 -29.6 210 82 B G T < 5S+ 0 0 37 -3,-1.0 22,-0.5 2,-0.2 21,-0.3 0.728 86.3 109.0 78.1 24.3 -40.4 -16.7 -28.2 211 83 B W S - 0 0 22 6,-2.1 4,-1.9 -2,-0.3 6,-0.1 -0.437 19.1-151.6 -64.6 120.0 -42.5 -20.5 -8.9 218 90 B P T 4 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.849 99.6 39.6 -56.3 -35.1 -42.4 -23.8 -7.0 219 91 B N T 4 S+ 0 0 152 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.935 127.0 29.3 -79.0 -51.4 -41.8 -21.7 -3.9 220 92 B D T 4 - 0 0 76 3,-0.1 4,-0.1 1,-0.1 -1,-0.1 0.922 69.9-167.4 -81.0 -47.8 -44.0 -18.7 -4.4 221 93 B K S < S+ 0 0 194 -4,-1.9 -1,-0.1 2,-0.3 3,-0.1 0.527 87.6 56.3 63.6 4.7 -46.9 -20.1 -6.4 222 94 B R S S+ 0 0 229 1,-0.1 2,-0.2 -5,-0.1 -1,-0.1 0.502 100.0 60.0-128.2 -32.3 -47.9 -16.5 -7.0 223 95 B G S S- 0 0 18 -6,-0.1 -6,-2.1 -39,-0.0 2,-0.4 -0.533 79.9-130.8 -87.8 164.8 -44.7 -15.2 -8.5 224 96 B V E - D 0 216B 43 -8,-0.2 2,-0.7 -2,-0.2 -10,-0.0 -0.924 2.1-136.0-121.7 142.7 -43.2 -16.5 -11.7 225 97 B L E - D 0 215B 33 -10,-3.2 -10,-3.0 -2,-0.4 2,-0.4 -0.889 22.6-154.9 -91.5 113.7 -39.7 -17.7 -12.7 226 98 B V E +CD 183 214B 0 -43,-3.0 -43,-1.8 -2,-0.7 2,-0.3 -0.743 21.3 167.7 -83.1 135.2 -38.7 -16.3 -16.1 227 99 B K E - D 0 213B 71 -14,-2.1 -14,-2.4 -2,-0.4 2,-0.2 -0.943 36.6 -91.8-139.6 166.1 -36.2 -18.3 -18.1 228 100 B L E - D 0 212B 22 -47,-0.4 -16,-0.2 -51,-0.3 2,-0.1 -0.511 34.1-135.4 -76.8 143.8 -34.8 -18.4 -21.6 229 101 B T > - 0 0 41 -18,-2.8 4,-3.4 -2,-0.2 5,-0.3 -0.427 34.8 -97.8 -82.1 168.4 -36.3 -20.7 -24.3 230 102 B T H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.913 132.7 47.3 -48.8 -45.1 -34.2 -22.8 -26.7 231 103 B G H > S+ 0 0 35 -21,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.898 111.9 49.9 -62.6 -42.6 -34.8 -19.9 -29.1 232 104 B G H > S+ 0 0 0 -22,-0.5 4,-2.3 -21,-0.3 -2,-0.2 0.912 110.4 48.6 -64.3 -45.5 -33.9 -17.4 -26.4 233 105 B A H X S+ 0 0 41 -4,-3.4 4,-1.9 2,-0.2 -1,-0.2 0.903 116.2 44.2 -60.9 -42.3 -30.7 -19.2 -25.5 234 106 B A H X S+ 0 0 44 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.957 113.5 48.6 -68.2 -50.6 -29.7 -19.4 -29.2 235 107 B I H X S+ 0 0 25 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.864 112.6 51.3 -57.9 -35.0 -30.6 -15.8 -30.0 236 108 B C H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.897 110.2 47.5 -67.4 -42.5 -28.7 -14.8 -26.9 237 109 B E H X S+ 0 0 106 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.854 109.8 52.4 -71.3 -37.3 -25.6 -16.7 -28.0 238 110 B Q H X S+ 0 0 103 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.944 106.0 55.5 -56.5 -50.8 -25.7 -15.4 -31.5 239 111 B C H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.881 109.0 47.3 -49.7 -45.4 -25.8 -11.8 -30.0 240 112 B H H X S+ 0 0 47 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.917 112.8 48.1 -60.8 -46.7 -22.6 -12.6 -28.1 241 113 B Q H < S+ 0 0 158 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.822 118.2 41.4 -66.1 -32.5 -20.9 -14.0 -31.2 242 114 B L H < S+ 0 0 62 -4,-2.6 4,-0.5 -5,-0.1 -2,-0.2 0.941 123.8 33.3 -79.9 -51.7 -21.9 -11.0 -33.3 243 115 B V H X S+ 0 0 8 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.859 102.3 75.2 -71.4 -40.0 -21.3 -8.2 -30.9 244 116 B G H X S+ 0 0 36 -4,-2.2 4,-1.7 -5,-0.3 5,-0.2 0.830 96.3 35.2 -58.5 -59.2 -18.3 -9.4 -28.9 245 117 B Q H > S+ 0 0 158 -4,-0.4 4,-1.9 -5,-0.2 -1,-0.2 0.902 121.0 47.0 -64.2 -41.6 -15.1 -9.0 -30.9 246 118 B D H > S+ 0 0 82 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.908 108.6 52.5 -69.9 -47.2 -16.2 -5.8 -32.8 247 119 B L H X S+ 0 0 12 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.926 112.1 46.4 -55.8 -49.0 -17.4 -3.9 -29.7 248 120 B H H X S+ 0 0 53 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.927 113.2 50.0 -55.9 -46.0 -14.1 -4.5 -27.9 249 121 B Q H < S+ 0 0 119 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.835 114.2 44.5 -67.0 -32.9 -12.2 -3.6 -31.0 250 122 B E H >< S+ 0 0 56 -4,-2.6 3,-1.6 2,-0.2 4,-0.2 0.939 112.4 49.6 -76.0 -49.6 -14.2 -0.3 -31.4 251 123 B L H 3< S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.852 117.5 43.0 -53.4 -36.5 -14.0 0.7 -27.8 252 124 B T T >< S+ 0 0 8 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.3 0.041 78.5 106.7-105.1 24.7 -10.3 0.2 -27.8 253 125 B K T < S+ 0 0 109 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.747 81.2 51.7 -74.5 -21.9 -9.4 1.7 -31.1 254 126 B N T 3 S+ 0 0 62 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.2 0.362 105.9 71.5 -92.3 4.2 -7.8 4.8 -29.4 255 127 B L S < S- 0 0 19 -3,-0.9 2,-0.1 -121,-0.1 -3,-0.0 -0.911 78.0-119.5-127.7 145.5 -5.6 2.6 -27.2 256 128 B T > - 0 0 83 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.450 32.1-117.9 -67.5 152.2 -2.6 0.3 -27.4 257 129 B A H > S+ 0 0 84 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.757 122.0 60.0 -60.6 -24.9 -3.0 -3.3 -26.5 258 130 B D H > S+ 0 0 128 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.945 109.4 38.5 -61.6 -51.6 -0.5 -2.3 -23.9 259 131 B E H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.827 109.6 62.0 -72.6 -33.8 -2.9 0.3 -22.5 260 132 B V H X S+ 0 0 13 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.895 104.5 49.1 -56.4 -40.7 -5.9 -1.9 -23.0 261 133 B A H X S+ 0 0 52 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.924 110.1 49.3 -68.5 -45.0 -4.3 -4.4 -20.5 262 134 B T H X S+ 0 0 56 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.933 111.7 50.3 -56.6 -48.5 -3.5 -1.7 -17.9 263 135 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.932 112.3 45.6 -57.7 -50.2 -7.1 -0.5 -18.2 264 136 B E H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.921 113.3 52.0 -58.1 -44.2 -8.6 -4.0 -17.7 265 137 B Y H X S+ 0 0 122 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.904 112.8 42.6 -57.5 -47.2 -6.2 -4.6 -14.8 266 138 B L H X S+ 0 0 5 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.795 110.6 55.0 -78.8 -30.0 -7.1 -1.4 -13.0 267 139 B L H >< S+ 0 0 0 -4,-2.2 3,-0.6 -5,-0.2 4,-0.5 0.854 105.4 54.7 -66.0 -36.9 -10.9 -1.8 -13.6 268 140 B K H >< S+ 0 0 63 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.837 101.4 60.0 -60.0 -34.4 -10.6 -5.2 -12.0 269 141 B K H 3< S+ 0 0 67 -4,-1.0 -151,-0.2 1,-0.2 -1,-0.2 0.742 100.0 55.2 -68.6 -24.4 -9.0 -3.5 -8.9 270 142 B V T << S+ 0 0 0 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.677 97.4 68.0 -80.8 -15.7 -12.1 -1.4 -8.3 271 143 B L < 0 0 42 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.910 360.0 360.0 -82.2 -50.4 -14.5 -4.4 -8.2 272 144 B P 0 0 124 0, 0.0 -154,-0.1 0, 0.0 0, 0.0 0.108 360.0 360.0 -71.1 360.0 -13.8 -6.5 -5.0