==== 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 3VOD . 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) . 15582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 73.8 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 . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 55.7 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 2 0 0 0 2 2 2 0 0 0 1 1 0 0 2 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 0 196 0, 0.0 2,-0.4 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 16.5 13.2 -7.1 20.2 2 10 A E - 0 0 155 2,-0.0 2,-1.2 0, 0.0 0, 0.0 -0.898 360.0-106.8-109.9 140.4 14.1 -9.5 17.3 3 11 A I - 0 0 151 -2,-0.4 261,-0.0 1,-0.0 0, 0.0 -0.503 41.5-179.9 -69.8 95.5 12.1 -9.7 14.1 4 12 A I - 0 0 49 -2,-1.2 264,-0.1 260,-0.1 2,-0.0 -0.872 31.4-115.3 -93.2 128.9 10.2 -13.0 14.3 5 13 A P >> - 0 0 51 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.326 21.2-112.6 -66.4 148.7 8.0 -13.6 11.2 6 14 A L H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.822 113.6 60.0 -45.5 -43.8 4.2 -13.6 11.5 7 15 A G H 3> S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.910 110.1 39.0 -54.9 -49.4 4.1 -17.3 10.7 8 16 A R H <> S+ 0 0 128 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.844 112.6 56.8 -73.7 -35.9 6.2 -18.4 13.6 9 17 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.931 106.4 49.9 -58.1 -49.2 4.7 -15.9 16.0 10 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.873 110.3 51.8 -59.3 -38.3 1.2 -17.4 15.4 11 19 A H H X S+ 0 0 47 -4,-1.3 4,-2.9 -5,-0.2 -2,-0.2 0.942 111.6 45.4 -62.5 -48.1 2.6 -20.9 16.0 12 20 A M H X S+ 0 0 84 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 115.2 46.2 -61.9 -45.7 4.1 -19.9 19.4 13 21 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.850 114.6 48.9 -67.4 -36.2 1.0 -18.0 20.6 14 22 A N H X S+ 0 0 10 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.927 110.8 49.6 -65.7 -46.1 -1.2 -20.9 19.4 15 23 A Q H X S+ 0 0 39 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.895 110.8 50.2 -61.0 -41.0 1.1 -23.4 21.2 16 24 A K H X S+ 0 0 21 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.920 109.8 51.6 -59.7 -45.5 0.9 -21.3 24.3 17 25 A K H X S+ 0 0 9 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.905 108.9 50.3 -55.6 -46.1 -2.9 -21.3 23.9 18 26 A D H X S+ 0 0 27 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.856 110.9 48.9 -64.7 -37.0 -3.0 -25.1 23.6 19 27 A R H X S+ 0 0 126 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.902 111.5 48.1 -68.6 -44.2 -0.9 -25.5 26.8 20 28 A L H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.830 108.2 57.5 -63.2 -33.0 -3.1 -23.1 28.8 21 29 A L H < S+ 0 0 10 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.898 104.1 50.7 -64.7 -43.1 -6.1 -25.0 27.5 22 30 A N H >X S+ 0 0 70 -4,-1.6 4,-0.9 2,-0.2 3,-0.6 0.865 110.5 51.6 -62.1 -38.0 -4.8 -28.3 29.0 23 31 A E H >< S+ 0 0 124 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.985 108.3 47.4 -60.0 -61.5 -4.2 -26.5 32.3 24 32 A Y T 3< S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.430 113.4 52.4 -66.5 2.8 -7.8 -25.1 32.7 25 33 A L T X4>S+ 0 0 0 -3,-0.6 3,-1.4 -4,-0.3 5,-0.8 0.595 84.0 80.7-114.1 -17.8 -9.2 -28.5 31.7 26 34 A S G X<5S+ 0 0 81 -3,-1.4 3,-2.3 -4,-0.9 -2,-0.1 0.907 84.8 62.9 -53.7 -48.8 -7.5 -30.9 34.2 27 35 A P G 3 5S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.617 107.5 45.0 -52.0 -15.7 -9.9 -30.0 37.1 28 36 A L G < 5S- 0 0 41 -3,-1.4 -2,-0.2 2,-0.2 3,-0.1 0.301 110.9-119.7-113.5 7.0 -12.8 -31.4 34.9 29 37 A D T < 5S+ 0 0 131 -3,-2.3 2,-0.3 -4,-0.2 -3,-0.2 0.958 73.6 114.3 49.3 63.7 -11.0 -34.7 33.8 30 38 A I < - 0 0 8 -5,-0.8 -2,-0.2 -8,-0.1 -1,-0.2 -0.910 58.4-129.7-158.2 131.1 -11.1 -34.0 30.0 31 39 A T > - 0 0 64 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.237 24.3-111.0 -82.1 170.0 -8.2 -33.4 27.7 32 40 A A H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.857 120.1 49.4 -68.0 -36.3 -7.7 -30.6 25.1 33 41 A A H > S+ 0 0 49 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 111.1 49.3 -67.7 -46.3 -8.0 -33.1 22.2 34 42 A Q H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.884 111.0 51.6 -57.0 -41.5 -11.2 -34.5 23.8 35 43 A F H X S+ 0 0 16 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.886 106.9 51.3 -65.0 -42.0 -12.5 -31.0 24.2 36 44 A K H X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.897 108.3 53.9 -63.1 -42.0 -11.9 -30.0 20.5 37 45 A V H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.937 107.5 49.0 -54.1 -52.7 -13.8 -33.1 19.4 38 46 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.856 111.1 51.3 -58.4 -36.6 -16.9 -32.3 21.5 39 47 A C H X S+ 0 0 25 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.885 110.4 47.3 -70.4 -40.7 -16.8 -28.7 20.0 40 48 A S H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 113.6 47.8 -66.6 -43.4 -16.6 -29.9 16.4 41 49 A I H < S+ 0 0 1 -4,-2.6 51,-0.2 1,-0.2 -2,-0.2 0.860 111.9 52.3 -62.7 -36.6 -19.5 -32.4 17.0 42 50 A R H < S+ 0 0 116 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.928 108.7 49.2 -62.6 -45.6 -21.4 -29.6 18.7 43 51 A C H < S+ 0 0 114 -4,-2.3 2,-0.6 1,-0.1 -2,-0.2 0.888 114.3 44.3 -66.4 -47.9 -21.0 -27.2 15.7 44 52 A A S < S- 0 0 38 -4,-2.1 -1,-0.1 1,-0.2 3,-0.1 -0.928 88.9-144.1 -92.4 118.7 -22.1 -29.8 13.1 45 53 A A S S+ 0 0 81 -2,-0.6 47,-0.4 1,-0.2 2,-0.4 0.933 83.9 13.6 -52.9 -52.2 -25.1 -31.3 14.8 46 54 A C S S+ 0 0 59 45,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.982 78.9 176.1-126.0 138.2 -24.4 -34.7 13.4 47 55 A I B -A 90 0A 6 43,-1.9 43,-2.3 -2,-0.4 -6,-0.0 -0.998 28.7-121.2-147.6 143.1 -21.1 -35.8 11.8 48 56 A T > - 0 0 30 -2,-0.3 4,-2.2 41,-0.2 5,-0.2 -0.531 28.4-123.3 -72.2 144.3 -19.4 -38.8 10.3 49 57 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.915 116.8 53.3 -49.6 -44.5 -16.1 -39.9 11.9 50 58 A V H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.957 110.8 44.0 -54.4 -55.2 -14.6 -39.5 8.4 51 59 A E H > S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.799 113.7 52.3 -61.6 -30.4 -15.9 -36.0 8.1 52 60 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.842 103.0 56.8 -76.1 -35.5 -14.7 -35.3 11.7 53 61 A K H X>S+ 0 0 94 -4,-2.6 4,-1.2 1,-0.2 5,-1.0 0.882 108.1 49.8 -58.2 -40.6 -11.2 -36.5 10.9 54 62 A K H <5S+ 0 0 139 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.902 110.2 48.4 -65.3 -44.7 -11.1 -33.9 8.1 55 63 A V H <5S+ 0 0 76 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.829 121.8 34.9 -67.3 -34.9 -12.3 -31.0 10.4 56 64 A L H <5S- 0 0 31 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.548 94.7-140.2 -94.3 -10.7 -9.7 -31.9 13.1 57 65 A S T <5 + 0 0 106 -4,-1.2 2,-0.2 -5,-0.2 -3,-0.2 0.889 56.8 135.9 43.9 46.1 -6.9 -33.0 10.8 58 66 A V < - 0 0 54 -5,-1.0 2,-0.3 -6,-0.2 -1,-0.2 -0.604 65.1 -80.3-109.0 173.7 -6.2 -35.8 13.3 59 67 A D > - 0 0 61 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.622 30.2-139.0 -76.1 132.4 -5.4 -39.5 12.8 60 68 A L H > S+ 0 0 69 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.799 104.0 55.7 -60.6 -31.2 -8.5 -41.6 12.2 61 69 A G H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.963 110.8 41.9 -64.2 -53.9 -7.0 -44.3 14.5 62 70 A A H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.844 116.0 51.8 -61.2 -36.2 -6.5 -41.9 17.4 63 71 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.906 106.5 51.0 -69.5 -44.0 -10.0 -40.4 16.7 64 72 A T H X S+ 0 0 54 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.867 114.9 44.6 -62.1 -37.4 -11.8 -43.7 16.7 65 73 A R H X S+ 0 0 177 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.901 114.0 49.0 -69.0 -43.7 -10.2 -44.6 20.1 66 74 A M H X S+ 0 0 23 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.834 110.5 51.3 -65.9 -34.1 -10.9 -41.0 21.3 67 75 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.860 108.3 52.1 -68.5 -37.0 -14.5 -41.4 20.2 68 76 A D H X S+ 0 0 95 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.874 108.3 51.1 -63.3 -41.0 -14.7 -44.7 22.0 69 77 A R H X S+ 0 0 158 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.876 110.9 48.0 -62.4 -41.0 -13.5 -43.0 25.2 70 78 A L H <>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 6,-1.2 0.749 107.6 55.0 -76.1 -26.2 -16.1 -40.3 24.9 71 79 A V H ><5S+ 0 0 58 -4,-1.5 3,-0.9 4,-0.2 -2,-0.2 0.906 106.7 52.1 -67.6 -43.7 -18.9 -42.9 24.3 72 80 A S H 3<5S+ 0 0 107 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.919 107.0 52.3 -54.2 -47.9 -17.8 -44.5 27.6 73 81 A K T 3<5S- 0 0 101 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.637 113.9-121.7 -65.8 -16.0 -18.1 -41.1 29.4 74 82 A G T < 5S+ 0 0 36 -3,-0.9 22,-0.4 -4,-0.4 21,-0.3 0.786 84.0 111.2 77.8 29.9 -21.6 -40.9 28.0 75 83 A W S - 0 0 17 6,-1.4 4,-0.7 -2,-0.2 3,-0.3 -0.525 21.0-160.3 -68.2 119.9 -26.2 -43.5 9.2 82 90 A P T 4 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.787 95.3 47.8 -68.8 -26.1 -29.5 -43.5 7.2 83 91 A N T 4 S+ 0 0 155 -3,-0.0 -2,-0.1 1,-0.0 0, 0.0 0.581 128.2 16.7 -86.6 -14.3 -27.5 -42.6 4.1 84 92 A D T 4 - 0 0 90 -3,-0.3 4,-0.1 3,-0.1 -1,-0.0 0.754 59.1-161.8-125.2 -61.3 -24.8 -45.2 4.5 85 93 A K S < S+ 0 0 190 -4,-0.7 3,-0.1 2,-0.3 -2,-0.0 0.399 90.7 67.6 80.4 -15.5 -25.3 -48.2 6.8 86 94 A R S S+ 0 0 244 -5,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.483 102.8 47.7-102.2 -15.6 -21.4 -48.8 6.7 87 95 A G S S- 0 0 23 -6,-0.1 -6,-1.4 -38,-0.0 -2,-0.3 -0.573 74.0-134.2-114.5 178.9 -20.8 -45.5 8.7 88 96 A V E - B 0 80A 34 -8,-0.2 2,-0.5 -2,-0.2 -10,-0.0 -0.909 8.2-135.4-129.6 159.3 -22.1 -43.8 11.8 89 97 A L E - B 0 79A 33 -10,-3.2 -10,-2.6 -2,-0.3 2,-0.3 -0.969 22.8-158.0-112.0 110.9 -23.2 -40.4 12.8 90 98 A V E +AB 47 78A 0 -43,-2.3 -43,-1.9 -2,-0.5 2,-0.3 -0.677 19.1 166.3 -82.6 144.0 -21.9 -39.3 16.2 91 99 A K E - B 0 77A 69 -14,-1.9 -14,-2.3 -2,-0.3 2,-0.2 -0.903 36.2 -88.6-144.0 173.1 -23.6 -36.6 18.1 92 100 A L E - B 0 76A 28 -47,-0.4 -16,-0.2 -2,-0.3 2,-0.2 -0.593 29.5-136.3 -87.1 147.9 -23.6 -35.2 21.6 93 101 A T > - 0 0 43 -18,-2.1 4,-2.8 -2,-0.2 5,-0.2 -0.542 35.0-103.4 -84.8 163.0 -25.7 -36.4 24.5 94 102 A T H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.906 128.8 50.6 -47.9 -45.5 -27.4 -33.9 26.8 95 103 A G H > S+ 0 0 31 -21,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.934 111.7 45.3 -59.0 -50.0 -24.6 -34.8 29.2 96 104 A G H > S+ 0 0 0 -22,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.784 112.0 52.4 -65.3 -31.0 -22.0 -34.2 26.6 97 105 A A H X S+ 0 0 33 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.905 110.6 47.8 -70.6 -43.3 -23.7 -30.9 25.5 98 106 A A H X S+ 0 0 49 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.951 113.2 47.3 -59.3 -52.2 -23.6 -29.7 29.1 99 107 A I H X S+ 0 0 31 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.873 111.1 51.5 -60.4 -41.3 -19.9 -30.6 29.6 100 108 A C H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.912 113.8 44.2 -62.1 -43.6 -18.9 -29.0 26.3 101 109 A E H X S+ 0 0 101 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.931 112.6 52.4 -63.5 -46.3 -20.7 -25.8 27.4 102 110 A Q H X S+ 0 0 97 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.801 109.5 48.9 -62.5 -34.2 -19.3 -26.0 30.9 103 111 A C H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.829 108.8 53.5 -72.3 -35.0 -15.7 -26.3 29.5 104 112 A H H X S+ 0 0 92 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.801 113.8 43.0 -70.4 -30.9 -16.3 -23.3 27.2 105 113 A Q H X S+ 0 0 143 -4,-1.8 4,-1.2 2,-0.2 5,-0.3 0.922 113.8 49.6 -75.2 -49.4 -17.4 -21.3 30.2 106 114 A L H < S+ 0 0 72 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.821 127.4 25.7 -60.4 -35.3 -14.6 -22.5 32.5 107 115 A V H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.1 5,-0.5 0.619 106.3 78.7-103.8 -19.3 -11.9 -21.8 30.0 108 116 A G H X S+ 0 0 42 -4,-0.9 4,-0.6 -5,-0.3 -3,-0.2 0.896 106.3 29.6 -57.1 -45.3 -13.7 -19.0 28.0 109 117 A Q H X S+ 0 0 131 -4,-1.2 4,-2.3 2,-0.1 -1,-0.2 0.925 123.2 46.0 -79.8 -49.0 -12.9 -16.3 30.6 110 118 A D H > S+ 0 0 54 -4,-0.5 4,-2.3 -5,-0.3 5,-0.2 0.828 107.4 53.5 -73.4 -38.7 -9.6 -17.6 32.0 111 119 A L H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.940 113.6 46.8 -56.9 -46.9 -7.7 -18.4 28.8 112 120 A H H X S+ 0 0 55 -4,-0.6 4,-2.3 -5,-0.5 -2,-0.2 0.925 111.3 49.7 -60.7 -49.0 -8.5 -14.9 27.6 113 121 A Q H < S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.6 45.7 -58.4 -40.1 -7.5 -13.3 30.9 114 122 A E H >< S+ 0 0 56 -4,-2.3 3,-0.8 1,-0.2 4,-0.2 0.865 113.4 47.5 -74.0 -39.6 -4.2 -15.2 30.9 115 123 A L H 3< S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.874 116.7 43.2 -68.0 -37.4 -3.4 -14.6 27.2 116 124 A T T >< S+ 0 0 18 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.105 79.2 115.4 -98.8 20.2 -4.1 -10.8 27.5 117 125 A K T < S+ 0 0 117 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.884 81.4 39.5 -57.2 -45.5 -2.3 -10.4 30.8 118 126 A N T 3 S+ 0 0 69 -3,-0.4 2,-0.4 151,-0.3 -1,-0.3 0.246 105.6 92.2 -91.3 11.5 0.4 -8.1 29.5 119 127 A L S < S- 0 0 18 -3,-1.5 -3,-0.0 151,-0.1 2,-0.0 -0.902 70.1-129.5-119.2 136.9 -2.0 -6.2 27.2 120 128 A T > - 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0 0 7 -5,-0.8 -2,-0.2 -8,-0.2 -1,-0.2 -0.979 53.5-135.8-148.3 129.0 6.5 -32.7 2.2 167 39 B T > - 0 0 58 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.308 27.8-112.3 -78.5 165.1 3.5 -31.9 4.4 168 40 B A H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.893 120.1 53.3 -62.7 -40.9 3.3 -29.1 7.0 169 41 B A H > S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 110.2 46.2 -57.3 -50.0 3.1 -31.7 9.7 170 42 B Q H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 112.6 52.2 -61.5 -36.6 6.2 -33.4 8.4 171 43 B F H X S+ 0 0 16 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 104.4 53.2 -67.1 -48.3 8.0 -30.1 8.2 172 44 B K H X S+ 0 0 39 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.843 108.0 54.0 -54.3 -37.7 7.2 -29.0 11.7 173 45 B V H X S+ 0 0 3 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.964 107.3 48.6 -60.2 -55.4 8.8 -32.3 12.9 174 46 B L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.895 112.8 49.3 -52.9 -47.0 12.0 -31.6 11.0 175 47 B C H X S+ 0 0 23 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.898 109.8 49.7 -58.2 -47.6 12.2 -28.1 12.4 176 48 B S H X S+ 0 0 23 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.933 113.4 46.3 -60.6 -46.7 11.7 -29.2 16.0 177 49 B I H < S+ 0 0 1 -4,-2.6 51,-0.3 1,-0.2 -1,-0.2 0.836 111.4 54.3 -60.6 -36.2 14.4 -31.9 15.6 178 50 B R H < S+ 0 0 110 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.776 102.3 56.3 -70.6 -30.2 16.6 -29.2 14.0 179 51 B C H < S+ 0 0 117 -4,-1.8 2,-0.5 -3,-0.3 -1,-0.2 0.866 110.9 45.7 -72.1 -40.4 16.3 -26.8 17.0 180 52 B A S < S- 0 0 35 -4,-1.4 -1,-0.1 1,-0.1 3,-0.1 -0.929 87.1-136.1 -97.9 127.3 17.5 -29.4 19.4 181 53 B A S S+ 0 0 86 -2,-0.5 47,-0.5 1,-0.1 2,-0.3 0.923 92.2 4.8 -45.6 -49.2 20.6 -31.2 18.1 182 54 B C S S+ 0 0 48 45,-0.1 2,-0.3 -3,-0.1 45,-0.2 -0.930 74.4 176.9-134.0 155.7 19.0 -34.4 19.3 183 55 B I B -C 226 0B 18 43,-1.8 43,-2.8 -2,-0.3 -6,-0.0 -0.982 25.7-120.7-158.8 148.9 15.6 -35.2 20.8 184 56 B T > - 0 0 27 -2,-0.3 4,-2.9 41,-0.2 5,-0.3 -0.690 30.6-114.6 -92.2 150.5 13.5 -38.2 22.0 185 57 B P H > S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.842 119.3 50.9 -48.8 -39.2 10.1 -39.0 20.6 186 58 B V H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.950 111.9 44.4 -62.5 -52.3 8.6 -38.3 24.0 187 59 B E H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.831 114.7 51.0 -63.4 -33.5 10.3 -34.8 24.2 188 60 B L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.802 105.4 56.2 -71.4 -33.9 9.3 -34.2 20.6 189 61 B K H X>S+ 0 0 92 -4,-1.9 4,-2.0 -5,-0.3 5,-0.8 0.863 107.7 48.6 -64.2 -39.2 5.6 -35.2 21.4 190 62 B K H <5S+ 0 0 122 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.948 113.2 45.9 -67.1 -50.3 5.5 -32.5 24.1 191 63 B V H <5S+ 0 0 62 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.919 121.2 37.6 -57.6 -48.3 7.0 -29.7 21.9 192 64 B L H <5S- 0 0 22 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.778 94.2-140.9 -78.6 -29.8 4.7 -30.6 18.9 193 65 B S T <5 + 0 0 60 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.919 55.5 127.0 64.1 47.6 1.5 -31.4 20.8 194 66 B V < - 0 0 72 -5,-0.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.898 68.7 -75.3-128.8 162.0 0.5 -34.3 18.6 195 67 B D > - 0 0 79 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.260 34.0-137.0 -59.5 137.8 -0.4 -38.0 19.2 196 68 B L H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.827 100.3 52.1 -65.3 -37.5 2.6 -40.3 20.0 197 69 B G H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.942 112.3 43.1 -66.3 -51.3 1.4 -43.2 17.8 198 70 B A H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.859 114.6 52.8 -62.0 -37.6 0.9 -41.0 14.6 199 71 B L H X S+ 0 0 4 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.859 106.5 52.3 -66.4 -36.9 4.3 -39.3 15.4 200 72 B T H X S+ 0 0 49 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.843 111.0 47.1 -68.1 -36.0 6.1 -42.7 15.7 201 73 B R H X S+ 0 0 157 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.923 113.5 48.8 -68.7 -45.2 4.7 -43.7 12.3 202 74 B M H X S+ 0 0 36 -4,-2.4 4,-2.6 1,-0.2 3,-0.3 0.914 106.1 56.2 -58.8 -46.8 5.8 -40.3 10.9 203 75 B L H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.849 109.0 48.3 -54.6 -35.3 9.2 -40.6 12.4 204 76 B D H X S+ 0 0 84 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.778 107.7 54.0 -76.2 -30.4 9.6 -43.9 10.5 205 77 B R H X S+ 0 0 143 -4,-1.6 4,-1.7 -3,-0.3 3,-0.3 0.955 109.4 48.6 -61.5 -51.1 8.4 -42.3 7.2 206 78 B L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 6,-1.4 0.725 107.3 56.1 -64.8 -25.6 11.1 -39.7 7.6 207 79 B V H ><5S+ 0 0 53 -4,-0.9 3,-0.9 -5,-0.2 -1,-0.2 0.871 106.0 50.2 -70.8 -40.8 13.7 -42.4 8.3 208 80 B S H 3<5S+ 0 0 111 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.861 106.9 55.1 -63.2 -37.4 12.8 -44.1 5.0 209 81 B K T 3<5S- 0 0 89 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.566 116.0-119.5 -69.7 -12.2 13.2 -40.7 3.2 210 82 B G T < 5S+ 0 0 39 -3,-0.9 22,-0.5 2,-0.2 21,-0.3 0.761 85.6 111.1 75.1 27.5 16.7 -40.6 4.7 211 83 B W S - 0 0 23 6,-1.7 4,-1.2 -2,-0.3 6,-0.1 -0.469 17.6-151.0 -65.5 120.4 20.4 -42.5 23.9 218 90 B P T 4 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.781 100.2 39.5 -58.8 -26.7 23.7 -42.3 25.9 219 91 B N T 4 S+ 0 0 156 4,-0.0 -2,-0.0 2,-0.0 0, 0.0 0.924 128.0 25.4 -86.1 -54.8 21.4 -41.6 29.0 220 92 B D T 4 - 0 0 77 3,-0.1 4,-0.1 1,-0.1 -1,-0.0 0.925 67.7-169.1 -80.5 -48.4 18.4 -43.9 28.5 221 93 B K S < S+ 0 0 189 -4,-1.2 -1,-0.1 2,-0.4 3,-0.1 0.443 86.5 59.0 62.7 1.2 19.8 -46.8 26.3 222 94 B R S S+ 0 0 228 1,-0.1 2,-0.2 -5,-0.0 -1,-0.1 0.558 100.2 57.9-119.7 -32.3 16.1 -47.9 26.0 223 95 B G S S- 0 0 20 -6,-0.1 -6,-1.7 -39,-0.0 -2,-0.4 -0.600 82.7-130.9 -89.7 159.5 14.8 -44.7 24.4 224 96 B V E - D 0 216B 43 -2,-0.2 2,-0.7 -8,-0.2 -10,-0.0 -0.833 3.0-134.3-112.8 151.3 16.3 -43.3 21.2 225 97 B L E - D 0 215B 31 -10,-3.6 -10,-2.8 -2,-0.3 2,-0.4 -0.932 20.9-153.8-101.1 113.6 17.5 -39.9 20.2 226 98 B V E +CD 183 214B 0 -43,-2.8 -43,-1.8 -2,-0.7 2,-0.3 -0.715 21.9 168.2 -81.8 136.5 16.2 -38.8 16.8 227 99 B K E - D 0 213B 70 -14,-2.0 -14,-2.1 -2,-0.4 2,-0.2 -0.932 36.7 -92.0-139.2 166.6 18.3 -36.3 14.9 228 100 B L E - D 0 212B 22 -47,-0.5 -16,-0.2 -2,-0.3 2,-0.1 -0.544 33.6-137.1 -77.9 144.4 18.4 -34.8 11.4 229 101 B T > - 0 0 40 -18,-2.5 4,-3.4 -2,-0.2 5,-0.2 -0.448 34.3 -99.4 -84.4 168.7 20.7 -36.4 8.7 230 102 B T H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.907 131.3 47.4 -50.3 -44.6 22.8 -34.3 6.3 231 103 B G H > S+ 0 0 35 -21,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.907 112.0 49.1 -63.9 -45.3 19.9 -34.9 3.9 232 104 B G H > S+ 0 0 0 -22,-0.5 4,-2.6 -21,-0.2 -2,-0.2 0.920 111.3 48.4 -60.0 -48.9 17.3 -34.0 6.5 233 105 B A H X S+ 0 0 38 -4,-3.4 4,-1.9 2,-0.2 -1,-0.2 0.903 115.2 45.8 -59.0 -43.1 19.1 -30.8 7.5 234 106 B A H X S+ 0 0 46 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.933 113.5 47.7 -66.5 -46.8 19.4 -29.8 3.8 235 107 B I H X S+ 0 0 25 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.872 111.7 52.3 -61.3 -37.3 15.8 -30.7 2.9 236 108 B C H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.873 109.8 47.4 -65.9 -41.1 14.7 -28.7 6.0 237 109 B E H X S+ 0 0 110 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.847 110.0 53.1 -69.8 -35.7 16.6 -25.6 4.9 238 110 B Q H X S+ 0 0 103 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 107.0 53.0 -60.1 -47.3 15.3 -25.9 1.4 239 111 B C H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.904 110.2 47.7 -53.4 -48.1 11.8 -26.0 2.9 240 112 B H H X S+ 0 0 50 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.912 112.3 48.8 -57.4 -47.7 12.5 -22.8 4.8 241 113 B Q H < S+ 0 0 157 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.809 116.9 42.3 -64.6 -33.5 14.0 -21.1 1.7 242 114 B L H < S+ 0 0 63 -4,-2.3 4,-0.4 -5,-0.1 -2,-0.2 0.931 124.3 32.6 -77.7 -51.2 10.9 -22.1 -0.4 243 115 B V H X S+ 0 0 7 -4,-2.8 4,-2.3 -5,-0.2 5,-0.3 0.888 98.7 79.7 -73.2 -44.9 8.2 -21.3 2.1 244 116 B G H X S+ 0 0 36 -4,-2.4 4,-1.7 -5,-0.3 5,-0.2 0.786 97.9 30.4 -44.5 -66.5 9.4 -18.4 4.2 245 117 B Q H > S+ 0 0 157 -4,-0.3 4,-2.4 -5,-0.2 -1,-0.2 0.884 120.2 49.9 -64.5 -44.2 8.8 -15.2 2.1 246 118 B D H > S+ 0 0 84 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.891 108.6 51.2 -66.4 -45.3 5.7 -16.3 0.2 247 119 B L H X S+ 0 0 13 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.918 112.7 46.3 -57.6 -48.6 3.7 -17.5 3.2 248 120 B H H X S+ 0 0 46 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.940 113.0 50.8 -57.5 -47.3 4.4 -14.2 5.0 249 121 B Q H < S+ 0 0 120 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.828 113.8 44.2 -63.0 -34.9 3.4 -12.3 1.9 250 122 B E H >< S+ 0 0 61 -4,-2.4 3,-1.5 2,-0.2 4,-0.3 0.941 112.6 49.9 -74.8 -49.8 0.2 -14.3 1.5 251 123 B L H 3< S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.845 117.5 42.3 -53.6 -36.2 -0.8 -14.1 5.2 252 124 B T T >< S+ 0 0 8 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.3 0.084 78.7 106.1-103.3 21.0 -0.3 -10.3 5.2 253 125 B K T < S+ 0 0 110 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.778 81.4 51.7 -71.6 -26.0 -1.9 -9.4 1.8 254 126 B N T 3 S+ 0 0 66 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.2 0.344 106.0 72.2 -89.0 4.0 -4.9 -7.8 3.5 255 127 B L S < S- 0 0 17 -3,-1.0 2,-0.1 -121,-0.1 -3,-0.0 -0.918 78.6-119.9-127.7 146.1 -2.7 -5.7 5.7 256 128 B T > - 0 0 82 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.432 32.2-116.7 -70.7 154.2 -0.5 -2.7 5.4 257 129 B A H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.734 122.7 59.2 -61.6 -23.2 3.2 -3.1 6.4 258 130 B D H > S+ 0 0 125 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.935 108.8 39.7 -64.7 -51.9 2.1 -0.6 9.0 259 131 B E H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.789 109.9 61.0 -71.4 -31.2 -0.5 -3.0 10.4 260 132 B V H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.902 104.7 49.2 -58.9 -43.1 1.9 -5.9 9.9 261 133 B A H X S+ 0 0 55 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.921 111.3 47.9 -64.9 -46.3 4.3 -4.3 12.4 262 134 B T H X S+ 0 0 56 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.915 111.8 50.8 -60.6 -45.8 1.6 -3.6 15.0 263 135 B L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.924 112.1 45.9 -58.5 -48.9 0.3 -7.2 14.7 264 136 B E H X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.917 113.1 52.0 -60.2 -44.2 3.8 -8.7 15.2 265 137 B Y H X S+ 0 0 118 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.890 112.3 43.0 -57.2 -47.1 4.4 -6.3 18.1 266 138 B L H X S+ 0 0 4 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.805 111.0 54.3 -77.0 -31.4 1.2 -7.2 20.0 267 139 B L H >X S+ 0 0 0 -4,-2.1 3,-0.8 -5,-0.2 4,-0.6 0.871 105.0 55.5 -65.7 -38.4 1.6 -10.9 19.4 268 140 B K H >< S+ 0 0 56 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.848 101.7 59.0 -56.7 -36.4 5.1 -10.6 20.9 269 141 B K H 3< S+ 0 0 64 -4,-1.0 -151,-0.3 1,-0.2 -1,-0.2 0.696 99.9 55.8 -69.3 -22.4 3.3 -9.1 24.0 270 142 B V H << S+ 0 0 0 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.685 98.2 68.2 -80.3 -19.1 1.2 -12.2 24.5 271 143 B L << 0 0 40 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.1 0.888 360.0 360.0 -79.3 -48.4 4.3 -14.5 24.7 272 144 B P 0 0 127 0, 0.0 -154,-0.1 0, 0.0 -3,-0.0 0.126 360.0 360.0 -75.1 360.0 6.4 -13.8 27.9