==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BACTERIAL ANTIBIOTIC RESISTANCE 28-JUL-03 1OKR . COMPND 2 MOLECULE: METHICILLIN RESISTANCE REGULATORY PROTEIN MECI; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.GARCIA-CASTELLANOS,A.MARRERO,G.MALLORQUI-FERNANDEZ, . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 73.1 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 . 19 7.9 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 . 2 0.8 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 . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 5 1 2 2 0 2 0 0 0 0 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 1 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 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 4 A K 0 0 175 0, 0.0 2,-1.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -90.6 10.7 47.5 41.1 2 5 A T - 0 0 18 1,-0.2 51,-0.0 72,-0.1 68,-0.0 -0.733 360.0-150.8 -81.8 80.2 7.9 45.1 40.3 3 6 A Y - 0 0 130 -2,-1.6 -1,-0.2 49,-0.1 2,-0.2 0.860 24.7 -19.4 -57.2-123.3 10.8 43.0 41.5 4 7 A E - 0 0 146 -3,-0.1 2,-0.3 75,-0.0 -1,-0.0 -0.555 53.6-178.9 -89.9 154.1 12.0 39.3 40.9 5 8 A I - 0 0 8 -2,-0.2 2,-0.0 74,-0.0 -3,-0.0 -0.917 15.4-138.1-161.6 124.1 9.8 36.5 39.5 6 9 A S > - 0 0 54 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.240 31.5-101.2 -88.3 169.3 10.5 32.9 38.8 7 10 A S H > S+ 0 0 71 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.906 121.6 46.8 -54.8 -46.8 9.6 30.7 35.9 8 11 A A H > S+ 0 0 21 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.807 109.6 54.4 -72.9 -30.8 6.7 29.0 37.8 9 12 A E H > S+ 0 0 6 -3,-0.3 4,-3.3 2,-0.2 5,-0.3 0.842 99.8 61.0 -63.5 -38.9 5.3 32.3 39.0 10 13 A W H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.890 104.0 51.9 -57.2 -33.1 5.2 33.6 35.5 11 14 A E H X S+ 0 0 42 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.867 110.7 44.0 -72.5 -40.7 2.8 30.8 34.8 12 15 A V H >X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 3,-0.7 0.943 114.8 50.8 -65.6 -48.1 0.5 31.6 37.6 13 16 A M H 3X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.3 5,-0.3 0.913 107.0 53.8 -59.7 -39.5 0.7 35.3 36.8 14 17 A N H 3X S+ 0 0 27 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.3 0.824 108.3 49.7 -63.1 -31.0 -0.2 34.6 33.1 15 18 A I H -A 65 0A 10 -2,-0.3 4,-2.2 42,-0.3 42,-0.2 -0.142 35.2-103.7 -71.4 171.2 -9.5 31.0 42.5 24 27 A A H > S+ 0 0 11 40,-0.5 4,-2.6 2,-0.2 5,-0.2 0.970 122.6 51.3 -56.7 -54.3 -6.8 28.6 43.8 25 28 A N H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.836 108.3 52.2 -61.1 -31.0 -8.6 25.6 42.2 26 29 A N H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.973 110.3 47.6 -63.2 -52.2 -8.9 27.4 38.9 27 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.883 111.6 50.7 -60.2 -38.8 -5.1 28.1 38.9 28 31 A I H X S+ 0 0 14 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.920 109.8 51.6 -62.8 -46.9 -4.4 24.4 39.9 29 32 A E H X S+ 0 0 117 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.931 114.7 39.4 -56.6 -51.7 -6.6 23.2 37.0 30 33 A E H >X S+ 0 0 71 -4,-2.2 3,-1.3 1,-0.2 4,-0.6 0.919 114.9 51.9 -67.7 -48.2 -5.0 25.3 34.3 31 34 A I H >X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 3,-1.2 0.914 106.7 56.2 -51.9 -39.6 -1.4 24.8 35.5 32 35 A Q H 3< S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.586 88.4 74.5 -79.3 -9.1 -2.1 21.1 35.6 33 36 A M H << S+ 0 0 145 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.843 119.3 15.0 -65.2 -32.9 -3.0 21.0 31.9 34 37 A Q H << S+ 0 0 139 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.2 0.474 123.7 60.9-118.7 -6.1 0.7 21.4 31.1 35 38 A K < - 0 0 70 -4,-1.5 2,-1.2 -5,-0.2 -1,-0.1 -0.983 62.6-143.2-134.2 139.1 2.5 20.6 34.4 36 39 A D + 0 0 169 -2,-0.4 2,-0.4 -3,-0.1 -4,-0.1 -0.325 54.8 141.2 -89.4 51.7 2.7 17.7 36.7 37 40 A W - 0 0 70 -2,-1.2 -2,-0.1 -9,-0.1 -5,-0.0 -0.775 50.2-124.1 -98.0 141.2 2.8 19.9 39.8 38 41 A S > - 0 0 52 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.336 27.4-106.8 -75.6 162.3 0.9 18.9 42.9 39 42 A P H > S+ 0 0 67 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.867 119.4 54.3 -56.7 -40.5 -1.7 21.2 44.4 40 43 A K H > S+ 0 0 165 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.939 106.1 50.5 -63.9 -48.8 0.6 22.1 47.3 41 44 A T H > S+ 0 0 68 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.868 116.2 44.3 -51.8 -38.0 3.4 23.2 45.0 42 45 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.5 0.952 110.0 52.3 -76.5 -41.9 0.8 25.3 43.2 43 46 A R H X S+ 0 0 109 -4,-3.1 4,-1.9 1,-0.3 -1,-0.2 0.781 107.5 54.7 -64.4 -28.5 -0.8 26.7 46.3 44 47 A T H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -1,-0.3 0.798 103.7 53.9 -75.8 -35.1 2.6 27.8 47.5 45 48 A L H X S+ 0 0 23 -4,-1.1 4,-2.1 -3,-0.5 -2,-0.2 0.922 110.8 46.9 -59.9 -43.4 3.3 29.7 44.3 46 49 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.932 111.8 52.1 -63.0 -42.6 -0.1 31.6 45.0 47 50 A T H X S+ 0 0 61 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.910 110.6 45.4 -62.1 -50.4 0.9 32.2 48.6 48 51 A R H X S+ 0 0 134 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.931 113.2 49.9 -59.7 -47.6 4.4 33.7 47.8 49 52 A L H X>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 6,-1.2 0.862 111.8 49.0 -65.2 -34.3 3.0 35.9 45.0 50 53 A Y H ><5S+ 0 0 60 -4,-2.1 3,-0.9 4,-0.2 -2,-0.2 0.966 115.7 43.1 -62.8 -50.9 0.3 37.1 47.4 51 54 A K H 3<5S+ 0 0 167 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.837 109.8 55.9 -62.2 -35.0 2.9 37.8 50.2 52 55 A K H 3<5S- 0 0 69 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.642 118.4-114.5 -77.7 -14.9 5.4 39.4 47.7 53 56 A G T <<5S+ 0 0 38 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.507 83.0 120.0 99.0 7.5 2.6 41.9 46.8 54 57 A F S S-B 63 0A 114 3,-1.1 3,-1.0 -2,-0.9 2,-0.4 -0.791 75.7 -11.9 -84.2 124.3 -16.7 35.8 46.4 61 64 A N T 3 S- 0 0 131 -2,-0.5 -2,-0.1 1,-0.2 3,-0.0 -0.791 124.9 -56.2 79.1-134.6 -18.8 32.9 47.9 62 65 A K T 3 S+ 0 0 145 -2,-0.4 2,-0.6 2,-0.1 -1,-0.2 -0.045 121.3 111.7-104.2 24.9 -16.5 31.8 50.8 63 66 A I E < - B 0 60A 81 -3,-1.0 -3,-1.1 -4,-0.0 2,-0.2 -0.825 69.1-132.1-109.6 120.6 -14.0 31.4 47.9 64 67 A F E - B 0 59A 69 -2,-0.6 -40,-0.5 -5,-0.2 2,-0.4 -0.485 18.1-162.4 -69.2 134.5 -11.0 33.6 47.5 65 68 A Q E -AB 23 58A 42 -7,-2.8 -7,-1.8 -2,-0.2 -42,-0.3 -0.985 10.8-146.5-120.9 118.4 -10.5 35.0 43.9 66 69 A Y E +AB 22 57A 21 -44,-2.6 -44,-1.9 -2,-0.4 2,-0.3 -0.580 18.5 177.2 -92.1 145.4 -7.0 36.4 43.1 67 70 A Y E - B 0 56A 50 -11,-1.8 -11,-2.8 -2,-0.2 -46,-0.1 -0.966 32.8 -93.5-143.5 156.5 -6.2 39.3 40.8 68 71 A S E - B 0 55A 29 -48,-0.3 -13,-0.3 -2,-0.3 -14,-0.1 -0.366 20.5-174.8 -72.8 142.9 -3.0 41.1 39.8 69 72 A L S S+ 0 0 99 -15,-2.6 2,-0.4 -2,-0.1 -14,-0.2 0.229 72.0 79.7-110.5 0.8 -1.7 44.3 41.5 70 73 A V S S- 0 0 16 -16,-0.7 2,-0.5 -68,-0.0 -2,-0.1 -0.925 87.1-117.9-108.5 135.4 1.0 44.5 38.8 71 74 A E > - 0 0 128 -2,-0.4 4,-2.0 1,-0.2 3,-0.3 -0.624 23.0-144.2 -68.5 120.6 0.5 46.0 35.3 72 75 A E H > S+ 0 0 68 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.875 95.8 48.4 -52.7 -48.6 1.2 43.1 32.9 73 76 A S H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.815 110.9 51.5 -68.3 -33.5 2.8 45.2 30.2 74 77 A D H > S+ 0 0 65 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.874 112.2 42.6 -69.2 -45.3 5.1 47.0 32.7 75 78 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.859 115.4 51.3 -74.5 -29.6 6.5 43.9 34.3 76 79 A K H X S+ 0 0 9 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.915 111.2 46.4 -71.2 -43.4 6.9 42.2 31.0 77 80 A Y H X S+ 0 0 42 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.894 114.2 48.0 -61.9 -44.8 8.8 45.1 29.4 78 81 A K H X S+ 0 0 53 -4,-1.9 4,-2.2 2,-0.2 3,-0.4 0.967 112.7 48.9 -63.4 -49.2 11.1 45.5 32.4 79 82 A T H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.941 109.9 51.4 -51.4 -50.5 11.7 41.7 32.4 80 83 A S H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.826 108.6 53.2 -57.3 -31.9 12.5 41.8 28.7 81 84 A K H X S+ 0 0 66 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.2 0.911 108.1 47.4 -75.8 -39.8 15.0 44.6 29.3 82 85 A N H X S+ 0 0 98 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.924 113.8 50.2 -63.2 -42.7 16.9 42.7 32.0 83 86 A F H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.879 109.6 48.5 -57.8 -49.0 17.0 39.7 29.7 84 87 A I H X S+ 0 0 5 -4,-2.2 6,-1.5 1,-0.2 4,-1.4 0.863 113.6 48.0 -65.2 -35.0 18.3 41.6 26.6 85 88 A N H < S+ 0 0 95 -4,-1.9 4,-0.3 5,-0.2 -2,-0.2 0.891 114.0 48.1 -70.4 -37.7 21.0 43.2 28.8 86 89 A K H < S+ 0 0 74 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.900 127.4 19.8 -68.1 -46.7 21.9 39.8 30.2 87 90 A V H < S+ 0 0 0 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.855 125.6 40.3 -93.8 -43.3 22.1 37.9 26.9 88 91 A Y S >< S- 0 0 5 -4,-1.4 3,-1.6 -5,-0.4 6,-0.2 -0.192 104.9-101.4-111.9 39.6 22.6 40.3 24.0 89 92 A K T 3 S- 0 0 148 -4,-0.3 -4,-0.2 1,-0.3 -3,-0.1 0.712 81.2 -58.2 52.4 24.2 25.0 43.0 25.2 90 93 A G T 3 S+ 0 0 45 -6,-1.5 2,-0.5 1,-0.1 -1,-0.3 0.697 105.2 124.9 79.9 22.6 22.1 45.5 25.8 91 94 A G <> - 0 0 16 -3,-1.6 4,-1.3 -7,-0.5 3,-0.3 -0.913 40.9-173.9-121.8 105.7 20.7 45.5 22.1 92 95 A F H > S+ 0 0 9 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.804 93.6 60.1 -51.3 -32.9 17.1 44.7 21.2 93 96 A N H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 100.7 52.7 -72.3 -38.7 18.2 44.8 17.6 94 97 A S H > S+ 0 0 36 -3,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.843 108.2 53.1 -56.6 -39.9 20.7 42.0 18.2 95 98 A L H X S+ 0 0 1 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.927 111.6 43.6 -63.9 -48.3 17.8 40.0 19.6 96 99 A V H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.878 111.8 52.5 -68.8 -36.4 15.6 40.5 16.6 97 100 A L H X S+ 0 0 88 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.913 111.9 48.7 -63.2 -42.3 18.5 39.8 14.1 98 101 A N H X S+ 0 0 11 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.951 113.5 45.2 -61.7 -47.0 19.1 36.6 16.0 99 102 A F H >X S+ 0 0 1 -4,-2.3 4,-3.4 1,-0.2 3,-1.3 0.973 116.9 42.9 -65.5 -59.4 15.5 35.5 15.9 100 103 A V H 3< S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.857 109.1 57.7 -48.7 -44.4 14.9 36.4 12.3 101 104 A E H 3< S+ 0 0 121 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.767 121.1 31.4 -62.3 -17.4 18.2 34.9 11.1 102 105 A K H << S+ 0 0 69 -3,-1.3 2,-0.3 -4,-0.9 -2,-0.2 0.760 103.4 71.0-117.5 -37.0 17.0 31.6 12.7 103 106 A E S < S- 0 0 54 -4,-3.4 2,-1.3 -5,-0.2 98,-0.0 -0.632 72.2-132.4 -85.2 148.8 13.2 31.2 12.6 104 107 A D - 0 0 161 -2,-0.3 -4,-0.1 -3,-0.0 -1,-0.1 -0.615 35.9-159.1 -94.2 69.4 11.5 30.5 9.3 105 108 A L - 0 0 26 -2,-1.3 2,-0.0 -5,-0.2 -5,-0.0 -0.274 10.7-125.3 -62.0 133.9 8.8 33.2 9.9 106 109 A S > - 0 0 48 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.274 24.8-107.1 -74.4 162.8 5.7 32.8 7.9 107 110 A Q H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.845 120.4 53.8 -61.9 -33.4 4.4 35.7 5.6 108 111 A D H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 110.8 46.5 -67.0 -38.9 1.6 36.5 8.1 109 112 A E H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.963 110.9 51.4 -71.2 -48.7 4.0 36.8 10.9 110 113 A I H X S+ 0 0 35 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.901 113.2 46.6 -48.7 -44.2 6.4 38.9 8.8 111 114 A E H X S+ 0 0 72 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.870 108.4 53.7 -72.5 -43.9 3.4 41.3 8.0 112 115 A E H X S+ 0 0 98 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.889 109.1 49.6 -50.6 -46.6 2.1 41.5 11.6 113 116 A L H X S+ 0 0 5 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.854 109.6 51.2 -69.3 -33.4 5.5 42.6 12.7 114 117 A R H X S+ 0 0 62 -4,-1.5 4,-2.4 -5,-0.3 3,-0.5 0.975 108.8 51.5 -62.8 -50.8 5.6 45.2 10.0 115 118 A N H < S+ 0 0 80 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.737 107.0 55.9 -52.5 -27.0 2.2 46.4 11.2 116 119 A I H >< S+ 0 0 13 -4,-1.3 3,-0.6 2,-0.2 -1,-0.2 0.870 110.7 41.0 -77.6 -42.6 3.6 46.6 14.7 117 120 A L H 3< S+ 0 0 9 -4,-1.6 3,-0.3 -3,-0.5 -2,-0.2 0.957 108.3 61.0 -67.2 -53.7 6.5 49.0 13.8 118 121 A N T 3< S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.398 84.4 82.4 -55.3 0.1 4.3 51.0 11.4 119 122 A K < 0 0 149 -3,-0.6 -1,-0.3 1,-0.4 -2,-0.1 -0.169 360.0 360.0 -97.0 40.0 2.1 51.9 14.5 120 123 A K 0 0 225 -3,-0.3 -1,-0.4 111,-0.0 109,-0.1 -0.239 360.0 360.0 54.3 360.0 4.5 54.7 15.5 121 !* 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 0.0 122 1 B M 0 0 243 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -4.0 21.3 10.3 25.7 123 2 B D - 0 0 159 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.386 360.0 -78.6 -68.7 160.3 22.5 13.9 24.8 124 3 B N - 0 0 144 1,-0.1 -1,-0.2 -2,-0.1 52,-0.0 -0.149 62.9 -76.0 -60.2 157.0 24.2 15.7 27.7 125 4 B K - 0 0 150 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.260 48.0-118.6 -51.7 129.2 22.0 17.3 30.5 126 5 B T - 0 0 101 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.598 36.7-172.2 -73.6 132.9 20.3 20.6 29.5 127 6 B Y - 0 0 88 -2,-0.3 2,-0.2 49,-0.1 49,-0.0 -0.953 22.8-129.3-129.6 150.6 21.3 23.6 31.6 128 7 B E - 0 0 127 -2,-0.4 2,-0.5 75,-0.0 75,-0.0 -0.498 25.7-134.0 -82.4 158.9 20.4 27.2 32.1 129 8 B I - 0 0 11 -2,-0.2 2,-0.1 4,-0.0 5,-0.0 -0.984 16.9-135.0-122.1 127.1 23.1 29.9 32.0 130 9 B S > - 0 0 49 -2,-0.5 4,-2.0 1,-0.1 3,-0.5 -0.401 27.5-103.8 -81.3 161.7 23.2 32.5 34.7 131 10 B S H > S+ 0 0 60 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.837 122.6 49.2 -49.6 -41.5 23.8 36.2 34.1 132 11 B A H > S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.834 107.2 54.7 -76.8 -29.7 27.4 36.0 35.2 133 12 B E H > S+ 0 0 2 -3,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.836 103.7 57.1 -66.4 -31.3 28.0 32.9 33.1 134 13 B W H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.873 101.3 55.8 -67.0 -34.3 26.8 34.9 30.1 135 14 B E H X S+ 0 0 68 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.902 111.4 44.6 -62.5 -39.5 29.5 37.6 30.9 136 15 B V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.893 113.5 48.6 -70.6 -39.3 32.1 34.8 30.6 137 16 B M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.895 107.2 55.1 -74.8 -38.9 30.7 33.2 27.5 138 17 B N H X S+ 0 0 25 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.792 108.8 49.3 -63.9 -26.2 30.4 36.5 25.7 139 18 B I H X S+ 0 0 13 -4,-0.9 4,-2.6 -5,-0.2 5,-0.3 0.937 110.3 50.7 -75.2 -46.9 34.1 37.1 26.4 140 19 B I H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.906 112.2 46.4 -52.4 -48.4 35.0 33.6 25.1 141 20 B W H < S+ 0 0 40 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.850 112.8 50.6 -61.6 -40.2 33.0 34.3 21.8 142 21 B M H < S+ 0 0 138 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.901 122.2 31.5 -65.5 -40.9 34.6 37.7 21.4 143 22 B K H < S- 0 0 69 -4,-2.6 2,-2.1 1,-0.1 -2,-0.2 0.624 88.1-150.1 -93.1 -12.5 38.1 36.3 21.8 144 23 B K S < S+ 0 0 145 -4,-1.8 48,-0.4 -5,-0.3 2,-0.4 -0.404 84.9 32.7 65.9 -60.2 37.6 32.8 20.3 145 24 B Y S S+ 0 0 91 -2,-2.1 2,-0.4 46,-0.1 46,-0.2 -0.996 76.2 168.6-123.1 126.1 40.3 31.4 22.7 146 25 B A B -C 190 0B 0 44,-2.4 44,-3.2 -2,-0.4 2,-0.1 -0.994 24.5-137.9-141.2 136.5 40.9 32.8 26.2 147 26 B S > - 0 0 14 -2,-0.4 4,-1.7 42,-0.3 5,-0.2 -0.355 37.1-103.2 -79.3 165.5 42.9 31.7 29.2 148 27 B A H > S+ 0 0 12 40,-0.4 4,-2.8 2,-0.2 3,-0.3 0.928 126.4 49.8 -48.7 -47.5 41.6 32.0 32.8 149 28 B N H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.917 106.4 53.8 -64.8 -43.1 43.8 35.1 33.2 150 29 B N H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.851 114.7 43.4 -52.7 -35.9 42.5 36.7 29.9 151 30 B I H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.3 5,-0.2 0.919 109.3 53.8 -81.8 -47.6 38.9 36.2 31.3 152 31 B I H X S+ 0 0 14 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.973 112.6 45.7 -45.5 -59.7 39.6 37.4 34.8 153 32 B E H X S+ 0 0 116 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.890 112.8 48.4 -58.1 -45.4 41.1 40.6 33.5 154 33 B E H >X S+ 0 0 48 -4,-1.7 4,-0.6 -5,-0.2 3,-0.5 0.915 113.5 47.7 -62.5 -42.3 38.3 41.3 31.0 155 34 B I H >X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 3,-1.3 0.899 105.6 57.6 -64.8 -43.1 35.6 40.7 33.5 156 35 B Q H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.658 92.7 69.9 -65.3 -22.9 37.3 42.9 36.2 157 36 B M H << S+ 0 0 126 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.868 120.0 16.9 -58.7 -40.7 37.2 45.9 33.8 158 37 B Q H << S+ 0 0 158 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.653 127.7 46.1-102.6 -26.3 33.3 45.9 34.2 159 38 B K < - 0 0 77 -4,-2.4 2,-1.0 -5,-0.1 -1,-0.1 -0.904 66.0-134.0-130.9 146.8 32.7 43.8 37.4 160 39 B D + 0 0 157 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.1 -0.634 57.1 135.6 -98.2 71.8 34.1 43.5 41.0 161 40 B W - 0 0 51 -2,-1.0 -2,-0.1 -9,-0.1 -5,-0.0 -0.922 52.5-116.8-116.5 148.4 34.3 39.8 41.1 162 41 B S > - 0 0 50 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.290 23.1-110.5 -78.4 160.1 37.3 38.0 42.5 163 42 B P H > S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.911 122.2 51.1 -49.3 -49.7 39.7 35.6 40.6 164 43 B K H > S+ 0 0 166 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.922 110.2 50.4 -54.1 -45.6 38.2 32.7 42.6 165 44 B T H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.953 112.3 45.5 -62.6 -47.1 34.8 33.8 41.6 166 45 B I H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.882 111.1 51.5 -64.9 -39.3 35.6 34.1 38.0 167 46 B R H X S+ 0 0 114 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.818 105.9 58.0 -68.1 -31.4 37.4 30.7 37.9 168 47 B T H X S+ 0 0 59 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.906 106.7 47.1 -62.7 -39.7 34.3 29.2 39.6 169 48 B L H X S+ 0 0 9 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.914 111.8 50.2 -69.9 -40.7 32.3 30.4 36.7 170 49 B I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.972 113.0 46.7 -60.6 -51.8 34.8 29.0 34.2 171 50 B T H X S+ 0 0 69 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.882 110.4 52.2 -52.9 -46.5 34.7 25.7 36.0 172 51 B R H X S+ 0 0 108 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.957 111.6 46.8 -58.8 -48.4 30.9 25.6 36.1 173 52 B L H X>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 6,-0.8 0.851 113.1 49.0 -61.9 -42.2 30.6 26.2 32.3 174 53 B Y H ><5S+ 0 0 81 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 0.944 112.1 47.8 -60.2 -50.6 33.3 23.6 31.6 175 54 B K H 3<5S+ 0 0 168 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 110.2 54.6 -58.5 -32.6 31.5 21.0 33.8 176 55 B K H 3<5S- 0 0 41 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.638 115.1-116.9 -79.8 -17.0 28.3 21.9 32.0 177 56 B G T <<5S+ 0 0 27 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.449 83.4 116.3 97.4 2.7 29.7 21.3 28.6 178 57 B F S S-D 187 0B 103 3,-1.4 3,-1.9 -2,-1.0 2,-0.2 -0.819 72.7 -14.2 -93.9 139.6 48.8 26.1 24.1 185 64 B N T 3 S- 0 0 140 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.492 127.3 -50.3 58.3-134.3 52.3 26.8 25.7 186 65 B K T 3 S+ 0 0 178 -2,-0.2 2,-0.4 2,-0.1 -1,-0.2 -0.279 119.6 102.9-113.6 48.5 51.8 25.4 29.2 187 66 B I E < S- D 0 184B 77 -3,-1.9 -3,-1.4 -5,-0.0 -5,-0.1 -0.974 73.1-124.0-141.8 114.5 48.5 27.4 29.6 188 67 B F E - D 0 183B 77 -2,-0.4 2,-0.4 -5,-0.2 -40,-0.4 -0.321 25.7-164.3 -53.6 131.2 44.9 26.3 29.4 189 68 B Q E - D 0 182B 39 -7,-2.0 -7,-1.9 -42,-0.2 -42,-0.3 -0.991 10.5-142.5-124.9 126.5 43.0 28.2 26.7 190 69 B Y E +CD 146 181B 20 -44,-3.2 -44,-2.4 -2,-0.4 2,-0.3 -0.603 22.1 173.1 -95.2 145.2 39.1 28.1 26.8 191 70 B Y E - D 0 180B 48 -11,-2.3 -11,-3.0 -2,-0.2 2,-0.2 -0.966 34.2 -93.3-145.9 155.1 36.8 28.0 23.8 192 71 B S E - D 0 179B 29 -48,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.451 18.1-169.8 -71.3 140.7 33.1 27.5 23.2 193 72 B L S S+ 0 0 93 -15,-2.6 2,-0.4 -2,-0.2 -14,-0.2 0.298 75.1 69.7-101.4 2.4 31.5 24.1 22.4 194 73 B V S S- 0 0 43 -16,-0.6 2,-0.4 4,-0.0 -2,-0.1 -0.956 88.5-116.3-129.1 135.4 28.3 25.8 21.6 195 74 B E > - 0 0 110 -2,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.632 27.2-135.7 -72.1 128.2 27.5 27.9 18.5 196 75 B E H > S+ 0 0 65 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.778 98.4 45.3 -55.5 -42.6 26.7 31.4 19.8 197 76 B S H > S+ 0 0 15 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.780 112.0 52.3 -79.6 -33.1 23.6 32.2 17.7 198 77 B D H > S+ 0 0 85 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.946 112.6 43.8 -64.8 -48.4 22.1 28.8 18.3 199 78 B I H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.897 114.5 48.6 -68.5 -41.1 22.3 29.0 22.1 200 79 B K H X S+ 0 0 8 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.816 112.1 50.8 -66.8 -32.9 21.1 32.6 22.3 201 80 B Y H X S+ 0 0 44 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.972 111.2 46.2 -67.9 -53.6 18.1 31.8 20.0 202 81 B K H X S+ 0 0 95 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.893 113.1 50.7 -51.4 -47.0 17.1 28.8 22.1 203 82 B T H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.928 111.1 49.0 -61.8 -43.6 17.5 30.9 25.2 204 83 B S H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.928 110.1 51.2 -59.7 -46.1 15.3 33.6 23.6 205 84 B K H X S+ 0 0 54 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.926 110.6 47.2 -60.2 -47.2 12.7 31.0 22.6 206 85 B N H X S+ 0 0 73 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.901 113.3 49.7 -56.4 -40.9 12.4 29.6 26.1 207 86 B F H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 5,-0.4 0.839 111.1 48.6 -71.0 -36.5 12.2 33.1 27.6 208 87 B I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 6,-1.4 0.895 112.2 48.9 -68.5 -43.1 9.4 34.1 25.1 209 88 B N H < S+ 0 0 96 -4,-2.6 4,-0.4 4,-0.2 -2,-0.2 0.828 114.4 46.7 -64.3 -27.5 7.5 30.9 26.0 210 89 B K H < S+ 0 0 64 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.944 129.3 19.1 -79.8 -44.6 7.9 31.6 29.7 211 90 B V H < S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.872 130.0 37.9 -97.1 -40.1 6.9 35.3 29.6 212 91 B Y S >< S- 0 0 7 -4,-2.0 3,-1.3 -5,-0.4 -3,-0.2 0.218 101.3-110.2-106.7 14.6 5.0 35.9 26.4 213 92 B K T 3 S- 0 0 140 -4,-0.4 -4,-0.2 1,-0.2 3,-0.1 0.402 79.8 -59.4 65.7 2.7 2.9 32.7 25.9 214 93 B G T 3 S+ 0 0 26 -6,-1.4 2,-1.0 1,-0.2 -1,-0.2 0.364 101.9 131.7 107.7 -4.4 5.2 32.0 23.0 215 94 B G <> - 0 0 9 -3,-1.3 4,-1.5 -7,-0.3 -1,-0.2 -0.750 31.4-179.5 -87.1 101.8 4.6 35.1 20.8 216 95 B F H > S+ 0 0 7 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.872 91.0 60.7 -52.1 -42.4 7.7 36.7 19.6 217 96 B N H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 101.0 54.1 -53.6 -38.4 5.3 39.2 18.1 218 97 B S H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 107.2 49.0 -66.3 -39.2 4.1 39.9 21.6 219 98 B L H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.943 112.6 47.1 -64.1 -48.7 7.6 40.7 22.8 220 99 B V H X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.951 113.8 50.0 -59.5 -47.0 8.2 43.0 19.9 221 100 B L H X S+ 0 0 68 -4,-2.8 4,-2.6 1,-0.2 3,-0.3 0.937 110.1 47.0 -55.6 -53.4 4.8 44.7 20.5 222 101 B N H X S+ 0 0 11 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.901 112.9 52.3 -60.0 -36.6 5.2 45.3 24.2 223 102 B F H X S+ 0 0 6 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.814 111.0 44.8 -71.9 -32.1 8.7 46.7 23.5 224 103 B V H < S+ 0 0 12 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.833 109.4 56.3 -77.1 -36.8 7.5 49.2 20.8 225 104 B E H < S+ 0 0 125 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.789 120.2 31.7 -59.2 -26.8 4.5 50.3 23.0 226 105 B K H < S+ 0 0 78 -4,-1.0 -2,-0.2 -5,-0.2 2,-0.2 0.698 99.9 76.0-115.9 -32.8 7.1 51.2 25.8 227 106 B E S < S- 0 0 46 -4,-1.9 0, 0.0 -5,-0.1 0, 0.0 -0.567 76.2-125.9 -83.2 160.5 10.5 52.4 24.3 228 107 B D - 0 0 166 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.1 0.007 39.2-172.3 -94.2 29.2 10.7 55.9 22.9 229 108 B L - 0 0 17 -5,-0.1 5,-0.0 -109,-0.1 -2,-0.0 0.075 16.4-148.9 -57.4 107.0 12.1 54.8 19.6 230 109 B S >> - 0 0 63 1,-0.1 4,-1.6 3,-0.0 3,-1.1 -0.242 37.6-103.1 -50.6 159.3 13.3 57.5 17.2 231 110 B Q H 3> S+ 0 0 133 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.498 116.9 64.5 -81.4 -4.1 12.7 56.4 13.7 232 111 B D H 3> S+ 0 0 133 2,-0.2 4,-1.0 3,-0.1 -1,-0.3 0.654 104.3 47.6 -89.5 -21.6 16.4 55.5 12.9 233 112 B E H <> S+ 0 0 77 -3,-1.1 4,-0.8 2,-0.1 -2,-0.2 0.879 113.2 50.7 -69.8 -47.3 16.2 52.8 15.6 234 113 B I H X S+ 0 0 6 -4,-1.6 4,-2.0 1,-0.2 3,-0.3 0.839 106.4 54.6 -56.4 -36.1 12.9 51.8 13.9 235 114 B E H X S+ 0 0 80 -4,-1.2 4,-2.9 1,-0.3 5,-0.3 0.939 100.2 55.5 -74.1 -47.7 14.5 51.6 10.4 236 115 B E H X S+ 0 0 113 -4,-1.0 4,-0.6 1,-0.2 -1,-0.3 0.757 110.2 51.3 -53.0 -25.6 17.3 49.2 11.2 237 116 B L H X S+ 0 0 7 -4,-0.8 4,-1.8 -3,-0.3 3,-0.3 0.896 106.8 51.0 -76.0 -47.1 14.5 47.0 12.4 238 117 B R H X S+ 0 0 56 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.913 112.4 47.9 -49.2 -44.8 12.5 47.4 9.2 239 118 B N H X S+ 0 0 70 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.721 105.3 57.6 -77.4 -20.6 15.7 46.4 7.4 240 119 B I H < S+ 0 0 16 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.843 113.5 42.5 -72.5 -32.0 16.2 43.4 9.7 241 120 B L H < S+ 0 0 22 -4,-1.8 -2,-0.2 -3,-0.1 -3,-0.1 0.978 122.4 33.5 -72.8 -57.1 12.8 42.3 8.5 242 121 B N H < 0 0 86 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.866 360.0 360.0 -75.8 -40.5 12.9 43.0 4.8 243 122 B K < 0 0 204 -4,-1.3 -3,-0.1 -5,-0.3 -4,-0.0 0.236 360.0 360.0 -82.6 360.0 16.6 42.3 4.1