==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 13-FEB-04 1SD7 . COMPND 2 MOLECULE: METHICILLIN RESISTANCE REGULATORY PROTEIN MECI; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.K.SAFO,Q.ZHAO,F.N.MUSAYEV,H.ROBINSON,N.SCARSDALE, . 237 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 74.3 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 . 17 7.2 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 . 1 0.4 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 51.1 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 1 1 1 2 3 2 0 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 1 0 1 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 5 A T 0 0 177 0, 0.0 2,-0.1 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 22.5 10.5 43.6 45.7 2 6 A Y - 0 0 199 49,-0.1 2,-0.3 0, 0.0 49,-0.0 -0.490 360.0 -69.3-163.8-126.3 12.4 41.0 43.6 3 7 A E - 0 0 113 -2,-0.1 71,-0.0 75,-0.0 0, 0.0 -0.927 37.5-100.1-165.7 138.2 11.6 38.8 40.6 4 8 A I - 0 0 12 -2,-0.3 2,-0.1 1,-0.1 44,-0.0 -0.087 23.7-141.4 -57.8 143.4 9.6 35.6 39.4 5 9 A S > - 0 0 55 1,-0.0 4,-2.1 0, 0.0 3,-0.4 -0.443 38.6 -92.3 -96.3 173.8 10.6 32.0 38.9 6 10 A S H > S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.819 124.1 46.9 -57.5 -35.6 9.5 29.6 36.2 7 11 A A H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.779 109.5 51.9 -80.8 -27.3 6.6 28.2 38.3 8 12 A E H > S+ 0 0 14 -3,-0.4 4,-3.7 2,-0.2 5,-0.2 0.842 106.5 55.5 -74.6 -33.5 5.3 31.6 39.5 9 13 A W H X S+ 0 0 2 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.947 108.8 49.5 -61.0 -43.5 5.3 32.7 35.8 10 14 A E H X S+ 0 0 28 -4,-1.4 4,-1.4 -5,-0.2 5,-0.2 0.991 114.6 41.4 -55.7 -68.5 3.1 29.6 35.2 11 15 A V H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.8 0.911 116.0 51.9 -44.5 -52.3 0.7 30.4 38.0 12 16 A X H 3X S+ 0 0 0 -4,-3.7 4,-2.3 1,-0.2 5,-0.3 0.917 102.0 58.0 -54.6 -48.7 0.7 34.1 37.1 13 17 A N H 3< S+ 0 0 17 -4,-3.2 4,-0.3 1,-0.3 -1,-0.2 0.823 107.7 48.2 -54.7 -31.2 -0.1 33.5 33.5 14 18 A I H XX S+ 0 0 18 -4,-1.4 4,-2.5 -3,-0.8 3,-0.6 0.867 110.1 51.5 -75.6 -37.1 -3.3 31.7 34.4 15 19 A I H 3< S+ 0 0 1 -4,-1.7 4,-0.4 -3,-0.3 52,-0.3 0.810 108.8 50.9 -68.7 -31.2 -4.2 34.5 36.9 16 20 A W T 3< S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.561 114.7 45.3 -81.6 -9.8 -3.8 37.1 34.1 17 21 A X T <4 S+ 0 0 124 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.833 115.7 40.4 -97.7 -43.6 -6.0 35.1 31.8 18 22 A K S < S- 0 0 66 -4,-2.5 2,-4.0 1,-0.1 -2,-0.2 0.440 89.5-150.0 -83.9 -0.9 -8.9 34.2 34.0 19 23 A K S S+ 0 0 161 -4,-0.4 48,-0.4 -5,-0.2 2,-0.3 -0.024 84.7 30.5 57.7 -39.6 -8.7 37.7 35.6 20 24 A Y S S+ 0 0 106 -2,-4.0 2,-0.3 46,-0.1 46,-0.2 -0.961 80.8 170.7-145.1 124.2 -10.1 36.1 38.8 21 25 A A B -A 65 0A 0 44,-2.5 44,-4.5 -2,-0.3 2,-0.1 -0.986 24.7-130.4-142.1 152.0 -9.2 32.5 39.7 22 26 A S > - 0 0 13 -2,-0.3 4,-2.5 42,-0.3 5,-0.2 -0.474 32.9-109.3 -93.3 165.6 -9.5 30.0 42.6 23 27 A A H > S+ 0 0 17 40,-0.5 4,-1.4 1,-0.2 5,-0.1 0.909 124.5 42.8 -61.5 -37.4 -6.8 27.8 44.2 24 28 A N H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 109.8 54.3 -76.1 -36.7 -8.7 24.9 42.6 25 29 A N H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 111.1 49.2 -59.4 -40.5 -9.3 26.6 39.3 26 30 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.824 108.6 50.6 -68.7 -37.0 -5.5 27.2 39.2 27 31 A I H X S+ 0 0 10 -4,-1.4 4,-2.8 -5,-0.2 -1,-0.2 0.886 110.3 51.0 -69.2 -39.9 -4.6 23.7 40.0 28 32 A E H X S+ 0 0 118 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.952 114.1 42.2 -61.9 -53.0 -6.9 22.3 37.2 29 33 A E H >< S+ 0 0 65 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.889 117.8 46.6 -63.7 -40.6 -5.5 24.6 34.6 30 34 A I H >X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 3,-1.3 0.882 108.5 55.8 -70.3 -37.0 -1.9 24.1 35.7 31 35 A Q H 3< S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.602 91.1 70.9 -72.6 -11.7 -2.3 20.3 35.9 32 36 A X T << S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.706 119.2 20.9 -73.5 -17.3 -3.5 20.1 32.3 33 37 A Q T <4 S+ 0 0 140 -3,-1.3 2,-0.4 -4,-0.3 -2,-0.2 0.727 124.1 45.0-118.9 -35.9 0.2 20.9 31.5 34 38 A K < - 0 0 57 -4,-2.9 2,-1.1 2,-0.1 -1,-0.3 -0.898 65.0-136.4-119.4 145.2 2.3 20.0 34.6 35 39 A D + 0 0 167 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.369 57.3 139.3 -89.8 52.9 2.4 16.9 36.8 36 40 A W - 0 0 69 -2,-1.1 -2,-0.1 -9,-0.1 -3,-0.1 -0.800 51.9-118.3 -99.6 143.0 2.7 19.1 40.0 37 41 A S > - 0 0 49 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.088 24.1-111.0 -71.2 171.2 0.8 18.2 43.2 38 42 A P H > S+ 0 0 57 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.910 117.0 56.7 -73.7 -36.5 -1.8 20.5 44.8 39 43 A K H >> S+ 0 0 166 1,-0.2 4,-3.2 2,-0.2 3,-0.8 0.979 108.3 47.2 -49.8 -69.6 0.4 21.2 47.8 40 44 A T H 3> S+ 0 0 67 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.821 114.8 47.3 -36.2 -49.9 3.2 22.4 45.5 41 45 A I H 3X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.864 112.2 47.3 -69.6 -37.5 0.7 24.6 43.6 42 46 A R H S+ 0 0 0 -4,-2.0 5,-1.0 1,-0.2 6,-0.9 0.861 113.3 48.0 -61.2 -34.9 2.9 34.8 45.2 49 53 A Y H ><5S+ 0 0 60 -4,-1.5 3,-1.5 4,-0.2 -2,-0.2 0.937 107.9 52.8 -70.3 -48.2 0.4 36.2 47.7 50 54 A K H 3<5S+ 0 0 142 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.742 110.7 47.2 -61.3 -27.2 3.0 36.8 50.5 51 55 A K T 3<5S- 0 0 77 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.436 119.1-112.1 -94.0 -1.0 5.3 38.8 48.1 52 56 A G T < 5S+ 0 0 32 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.264 79.7 125.0 95.8 -13.4 2.4 40.8 46.9 53 57 A F S > - 0 0 130 -2,-0.4 4,-2.0 1,-0.2 3,-0.6 -0.609 19.8-145.8 -73.4 122.4 0.6 44.9 35.4 71 75 A E H 3> S+ 0 0 57 -2,-0.5 4,-1.7 1,-0.2 5,-0.3 0.934 96.6 55.1 -51.1 -52.2 1.2 42.0 33.0 72 76 A S H 3> S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.784 111.7 41.0 -53.6 -36.4 2.6 44.3 30.4 73 77 A D H <> S+ 0 0 72 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.835 111.6 48.8 -90.5 -32.3 5.3 45.8 32.6 74 78 A I H X S+ 0 0 23 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.791 116.0 47.9 -77.1 -24.7 6.6 42.9 34.6 75 79 A K H X S+ 0 0 10 -4,-1.7 4,-2.5 -5,-0.4 5,-0.2 0.912 112.9 47.7 -78.0 -38.0 7.0 41.1 31.3 76 80 A Y H X S+ 0 0 39 -4,-1.2 4,-2.6 -5,-0.3 -2,-0.2 0.983 114.3 45.9 -61.4 -56.4 8.6 44.1 29.7 77 81 A K H X S+ 0 0 126 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.831 111.9 52.6 -55.5 -35.3 11.0 44.5 32.6 78 82 A T H X S+ 0 0 15 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.937 109.5 47.9 -69.4 -42.2 11.7 40.7 32.6 79 83 A S H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.898 108.5 55.7 -62.7 -39.4 12.6 40.7 28.8 80 84 A K H X S+ 0 0 75 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.958 111.1 44.1 -56.5 -50.7 14.8 43.7 29.4 81 85 A N H X S+ 0 0 56 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.913 113.6 50.4 -58.9 -47.1 16.8 41.7 32.1 82 86 A F H X S+ 0 0 11 -4,-2.9 4,-2.1 1,-0.2 5,-0.4 0.932 113.2 45.4 -58.0 -47.2 16.9 38.6 29.9 83 87 A I H X S+ 0 0 7 -4,-2.9 4,-1.0 1,-0.2 7,-0.3 0.889 110.5 54.4 -63.6 -39.6 18.2 40.6 26.9 84 88 A N H < S+ 0 0 126 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.833 113.7 42.7 -66.1 -29.3 20.7 42.3 29.2 85 89 A K H < S+ 0 0 70 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.793 124.6 26.7 -87.4 -32.5 22.1 39.0 30.4 86 90 A V H < S+ 0 0 0 -4,-2.1 2,-0.2 -5,-0.2 -3,-0.2 0.877 111.3 53.0-100.1 -49.7 22.3 36.9 27.2 87 91 A Y < - 0 0 16 -4,-1.0 3,-0.3 -5,-0.4 -1,-0.1 -0.617 53.8-157.5 -94.1 149.9 22.7 39.2 24.2 88 92 A K S S+ 0 0 133 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.1 -0.025 89.3 55.8-113.5 31.8 25.4 41.8 23.6 89 93 A G S > S- 0 0 39 1,-0.3 4,-0.8 -6,-0.2 3,-0.5 0.135 101.5-123.6-143.5 15.5 23.5 43.9 21.0 90 94 A G H >> - 0 0 33 -3,-0.3 4,-1.2 -7,-0.3 3,-1.2 -0.107 64.9 -29.1 66.3-170.4 20.3 44.6 22.8 91 95 A F H 3> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.786 134.9 62.7 -44.2 -41.0 16.9 43.7 21.5 92 96 A N H 3> S+ 0 0 16 -3,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.917 101.1 52.5 -57.0 -44.1 18.1 43.9 17.9 93 97 A S H - 0 0 39 1,-0.1 4,-3.4 0, 0.0 5,-0.3 -0.586 20.4-113.0 -95.2 161.1 6.3 31.4 8.3 106 110 A Q H > S+ 0 0 119 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.855 122.6 48.9 -58.2 -36.7 5.0 34.0 5.8 107 111 A D H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.802 113.0 47.0 -73.4 -31.2 2.1 34.6 8.1 108 112 A E H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.6 49.4 -75.6 -44.0 4.4 34.9 11.1 109 113 A I H X S+ 0 0 37 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.847 112.2 51.2 -61.3 -35.6 6.7 37.3 9.3 110 114 A E H X S+ 0 0 74 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.857 106.5 50.5 -74.0 -35.2 3.7 39.3 8.3 111 115 A E H X S+ 0 0 97 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.920 108.7 57.0 -67.0 -38.4 2.2 39.6 11.8 112 116 A L H >X S+ 0 0 4 -4,-2.3 4,-1.3 1,-0.2 3,-0.6 0.949 105.0 47.3 -52.4 -59.0 5.6 40.7 12.8 113 117 A R H 3X S+ 0 0 57 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.851 107.1 58.8 -53.9 -38.0 5.7 43.6 10.3 114 118 A N H 3X S+ 0 0 73 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.910 103.8 52.1 -57.6 -42.7 2.2 44.7 11.4 115 119 A I H << S+ 0 0 22 -4,-1.8 -1,-0.2 -3,-0.6 -2,-0.2 0.793 111.2 46.0 -63.7 -32.4 3.5 45.1 15.0 116 120 A L H < S+ 0 0 4 -4,-1.3 3,-0.3 -3,-0.3 -1,-0.2 0.798 110.7 55.0 -80.6 -27.8 6.4 47.3 13.8 117 121 A N H < S+ 0 0 87 -4,-2.1 2,-0.7 1,-0.2 -2,-0.2 0.653 90.6 76.3 -77.9 -18.3 3.9 49.3 11.6 118 122 A K < 0 0 165 -4,-1.1 -1,-0.2 1,-0.2 -3,-0.1 -0.270 360.0 360.0 -93.4 49.2 1.5 50.2 14.4 119 123 A K 0 0 109 -2,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.305 360.0 360.0 175.3 360.0 3.6 52.9 16.1 120 !* 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 0.0 121 5 B T 0 0 78 0, 0.0 73,-0.0 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 145.5 22.5 23.1 26.8 122 6 B Y - 0 0 198 0, 0.0 49,-0.0 0, 0.0 0, 0.0 -0.108 360.0 -85.7-176.4 56.1 21.3 23.0 30.5 123 7 B E - 0 0 109 1,-0.1 2,-0.2 2,-0.0 0, 0.0 0.830 52.4-155.0 25.0 101.4 20.2 26.4 31.4 124 8 B I - 0 0 14 1,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.571 12.0-110.6 -95.5 158.4 23.2 28.5 32.6 125 9 B S > - 0 0 48 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.280 31.1-100.0 -85.6 170.3 23.3 31.5 35.0 126 10 B S H > S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.825 124.2 49.9 -60.6 -32.7 24.1 35.2 34.4 127 11 B A H >> S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.958 110.2 49.0 -71.8 -49.0 27.6 34.7 35.7 128 12 B E H 3> S+ 0 0 4 1,-0.3 4,-3.0 2,-0.2 3,-0.3 0.931 109.6 54.1 -53.8 -41.7 28.1 31.7 33.5 129 13 B W H 3X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -1,-0.3 0.834 103.9 55.1 -59.7 -36.4 26.8 33.9 30.6 130 14 B E H << S+ 0 0 53 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.862 112.0 44.2 -63.7 -39.2 29.4 36.6 31.4 131 15 B V H >X S+ 0 0 0 -4,-1.8 3,-1.8 -3,-0.3 4,-1.7 0.939 111.7 51.0 -73.1 -50.3 32.1 34.0 31.0 132 16 B X H 3X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.3 5,-0.2 0.887 103.1 60.2 -56.4 -41.4 30.8 32.3 27.9 133 17 B N H 3X S+ 0 0 16 -4,-2.2 4,-0.7 1,-0.2 -1,-0.3 0.634 107.9 46.6 -63.0 -11.4 30.5 35.7 26.1 134 18 B I H <4 S+ 0 0 9 -3,-1.8 4,-0.3 -4,-0.2 -1,-0.2 0.781 109.6 50.3 -97.2 -35.5 34.2 36.1 26.6 135 19 B I H >X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 3,-0.7 0.867 113.6 48.4 -67.7 -36.3 35.2 32.6 25.4 136 20 B W H >< S+ 0 0 37 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.900 107.4 54.3 -69.3 -42.5 33.0 33.2 22.3 137 21 B X T 3< S+ 0 0 107 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.487 123.2 28.0 -69.5 -4.9 34.6 36.6 21.7 138 22 B K T <4 S- 0 0 71 -3,-0.7 2,-5.1 -4,-0.3 -1,-0.2 0.339 81.0-147.4-142.0 11.5 38.1 35.0 21.8 139 23 B K S << S+ 0 0 137 -4,-0.7 48,-0.4 -3,-0.6 2,-0.4 -0.062 87.8 32.3 50.4 -53.3 37.8 31.4 20.6 140 24 B Y S S+ 0 0 92 -2,-5.1 2,-0.3 46,-0.2 46,-0.2 -0.999 71.4 153.6-133.0 134.5 40.8 30.5 23.0 141 25 B A E -C 185 0B 0 44,-1.8 44,-3.2 -2,-0.4 2,-0.2 -0.965 32.6-129.3-159.5 140.3 41.6 32.1 26.3 142 26 B S E > -C 184 0B 10 -2,-0.3 4,-2.9 42,-0.3 3,-0.4 -0.524 35.7-102.6 -91.4 164.6 43.3 31.0 29.5 143 27 B A H > S+ 0 0 12 40,-0.5 4,-3.4 1,-0.3 5,-0.3 0.958 123.9 53.1 -44.5 -61.9 41.9 31.4 33.0 144 28 B N H > S+ 0 0 103 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.841 109.4 48.1 -46.1 -41.4 44.1 34.3 33.6 145 29 B N H >> S+ 0 0 66 -3,-0.4 4,-2.0 2,-0.2 3,-1.1 0.991 114.5 46.5 -61.9 -56.5 42.9 36.0 30.4 146 30 B I H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 5,-0.3 0.915 106.9 58.5 -49.1 -52.8 39.3 35.2 31.4 147 31 B I H 3X S+ 0 0 11 -4,-3.4 4,-1.9 1,-0.2 -1,-0.3 0.791 111.8 40.5 -49.3 -35.4 39.9 36.5 35.0 148 32 B E H << S+ 0 0 125 -4,-1.3 -1,-0.2 -3,-1.1 4,-0.2 0.812 109.1 54.7 -90.7 -27.8 40.9 39.9 33.8 149 33 B E H >< S+ 0 0 41 -4,-2.0 3,-0.6 -3,-0.2 -2,-0.2 0.899 117.4 43.4 -66.2 -34.8 38.4 40.4 31.0 150 34 B I H >X S+ 0 0 1 -4,-2.4 3,-1.8 -5,-0.3 4,-1.7 0.921 103.9 60.8 -72.3 -50.0 35.9 39.7 33.8 151 35 B Q T 3< S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.419 91.8 74.0 -64.6 6.8 37.5 41.8 36.6 152 36 B X T <4 S+ 0 0 119 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.657 116.4 11.2 -93.9 -18.8 37.0 44.9 34.4 153 37 B Q T <4 S+ 0 0 132 -3,-1.8 2,-0.4 -4,-0.2 -2,-0.2 0.367 124.4 64.1-134.8 -4.2 33.2 45.2 34.8 154 38 B K < - 0 0 70 -4,-1.7 2,-1.6 2,-0.1 -1,-0.2 -0.977 69.0-139.2-129.5 137.2 32.7 42.7 37.7 155 39 B D + 0 0 164 -2,-0.4 2,-0.4 -3,-0.1 -4,-0.1 -0.496 55.9 140.0 -89.6 66.4 33.9 42.7 41.3 156 40 B W - 0 0 52 -2,-1.6 -2,-0.1 -9,-0.1 -6,-0.0 -0.887 47.2-126.6-112.1 143.4 34.6 39.0 41.2 157 41 B S > - 0 0 53 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.178 27.8-104.6 -79.5 174.9 37.6 37.3 42.9 158 42 B P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.924 120.6 47.6 -67.1 -43.0 40.0 34.9 41.2 159 43 B K H > S+ 0 0 160 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.830 107.9 56.0 -68.8 -30.6 38.6 31.8 42.8 160 44 B T H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.980 112.0 42.7 -63.5 -51.7 35.0 32.8 41.9 161 45 B I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.832 110.9 54.7 -63.4 -35.9 35.9 33.1 38.3 162 46 B R H X S+ 0 0 108 -4,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.823 108.2 51.7 -68.0 -27.3 37.9 29.8 38.4 163 47 B T H X S+ 0 0 62 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.877 108.9 48.8 -76.1 -36.4 34.8 28.2 39.8 164 48 B L H X S+ 0 0 10 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.935 113.0 47.8 -67.0 -45.8 32.7 29.5 37.0 165 49 B I H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.965 113.1 48.4 -58.2 -51.3 35.2 28.3 34.4 166 50 B T H X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.849 110.1 53.0 -58.6 -33.7 35.4 24.9 36.1 167 51 B R H X S+ 0 0 101 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.896 110.4 44.6 -70.6 -42.2 31.6 24.7 36.2 168 52 B L H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 6,-0.9 0.848 111.6 56.0 -70.1 -32.0 31.1 25.3 32.5 169 53 B Y H ><5S+ 0 0 73 -4,-2.2 3,-1.4 -5,-0.3 -2,-0.2 0.957 109.6 44.1 -64.5 -49.4 33.9 22.9 31.8 170 54 B K H 3<5S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.788 108.4 59.8 -68.8 -22.5 32.2 20.1 33.7 171 55 B K T 3<5S- 0 0 88 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.481 115.4-111.8 -84.0 0.6 28.9 21.0 32.0 172 56 B G T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.706 87.4 114.6 80.6 20.7 30.2 20.3 28.5 173 57 B F S S-D 182 0B 81 3,-1.8 3,-1.3 -2,-1.0 2,-0.2 -0.955 76.9 -14.8-105.2 124.3 49.4 25.2 24.8 180 64 B N T 3 S- 0 0 142 -2,-0.6 0, 0.0 1,-0.2 0, 0.0 -0.581 124.4 -55.3 72.9-150.4 52.7 25.6 26.7 181 65 B K T 3 S+ 0 0 168 -2,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.074 119.5 100.9-107.4 26.0 51.9 23.9 30.0 182 66 B I E < S- D 0 179B 94 -3,-1.3 -3,-1.8 -5,-0.0 2,-0.2 -0.933 75.4-117.8-117.4 132.1 48.9 26.3 30.4 183 67 B F E - D 0 178B 74 -2,-0.4 -40,-0.5 -5,-0.2 2,-0.5 -0.404 23.3-164.8 -66.4 130.6 45.2 25.5 29.7 184 68 B Q E -CD 142 177B 48 -7,-1.8 -7,-1.9 -42,-0.2 2,-0.3 -0.984 14.2-145.1-120.6 117.2 43.5 27.6 27.0 185 69 B Y E +CD 141 176B 19 -44,-3.2 -44,-1.8 -2,-0.5 2,-0.3 -0.632 22.8 168.8 -90.8 143.4 39.7 27.3 27.1 186 70 B Y E - D 0 175B 59 -11,-1.9 -11,-2.5 -2,-0.3 -46,-0.2 -0.959 36.8 -86.3-146.2 159.1 37.5 27.4 24.1 187 71 B S E - D 0 174B 31 -48,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.382 19.7-172.0 -75.1 142.6 33.8 26.7 23.4 188 72 B L S S+ 0 0 80 -15,-2.3 2,-0.3 -2,-0.1 -14,-0.2 0.384 71.6 71.0-106.0 -1.0 32.3 23.3 22.7 189 73 B V S S- 0 0 33 -16,-0.7 2,-1.1 4,-0.0 -2,-0.1 -0.885 85.9-110.7-126.0 151.9 29.0 24.9 21.8 190 74 B E >> - 0 0 127 -2,-0.3 3,-2.2 1,-0.2 4,-2.1 -0.624 25.8-149.6 -82.7 97.1 27.5 27.0 19.0 191 75 B E H 3> S+ 0 0 67 -2,-1.1 4,-2.9 1,-0.3 5,-0.3 0.769 95.2 41.1 -27.0 -66.0 26.8 30.5 20.5 192 76 B S H 3> S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.741 115.0 54.4 -64.1 -22.9 23.8 31.4 18.2 193 77 B D H <> S+ 0 0 84 -3,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.895 113.5 40.4 -74.3 -39.7 22.5 27.9 18.7 194 78 B I H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.844 116.0 49.0 -78.0 -38.0 22.6 28.1 22.4 195 79 B K H X S+ 0 0 13 -4,-2.9 4,-2.7 -5,-0.3 -3,-0.2 0.901 112.2 50.5 -70.3 -37.7 21.4 31.7 22.6 196 80 B Y H X S+ 0 0 40 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.976 112.1 46.0 -59.5 -55.3 18.5 30.7 20.3 197 81 B K H X S+ 0 0 98 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.919 112.8 50.9 -52.4 -48.9 17.6 27.7 22.4 198 82 B T H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.918 108.8 52.0 -56.4 -46.6 17.8 29.9 25.5 199 83 B S H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.872 107.3 51.9 -59.4 -39.4 15.5 32.5 23.9 200 84 B K H X S+ 0 0 79 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.900 110.8 48.8 -64.3 -39.8 12.9 29.8 23.0 201 85 B N H X S+ 0 0 52 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.866 110.4 49.5 -67.9 -37.1 12.9 28.7 26.6 202 86 B F H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.915 112.2 48.4 -67.7 -42.8 12.5 32.3 28.0 203 87 B I H X S+ 0 0 12 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.836 110.5 50.6 -66.0 -37.7 9.6 32.9 25.7 204 88 B N H < S+ 0 0 130 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.801 113.1 47.6 -71.3 -29.2 7.9 29.7 26.6 205 89 B K H < S+ 0 0 60 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.891 127.1 21.3 -77.5 -43.3 8.3 30.5 30.3 206 90 B V H < S+ 0 0 0 -4,-2.3 2,-0.3 -5,-0.1 -3,-0.2 0.858 115.4 57.1 -96.9 -42.3 7.0 34.1 30.2 207 91 B Y < - 0 0 12 -4,-1.6 4,-0.1 -5,-0.3 -1,-0.1 -0.693 48.7-166.7-101.1 147.5 4.9 34.6 27.1 208 92 B K S S+ 0 0 86 -2,-0.3 -1,-0.1 2,-0.1 -5,-0.0 0.833 88.7 50.8 -94.4 -38.9 1.8 32.7 26.0 209 93 B G S S- 0 0 58 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.995 103.5-123.0 -59.8 -75.3 1.8 34.0 22.4 210 94 B G >> - 0 0 20 1,-0.1 4,-1.3 -7,-0.1 3,-1.1 -0.962 58.5 -28.9 157.5-160.7 5.3 33.3 21.3 211 95 B F H 3> S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.3 3,-0.2 0.844 132.5 68.3 -47.5 -35.7 8.2 35.4 19.9 212 96 B N H 3> S+ 0 0 48 1,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.872 98.6 44.1 -46.7 -55.9 5.3 37.4 18.6 213 97 B S H <> S+ 0 0 32 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.732 109.8 55.3 -71.7 -26.4 4.2 38.7 22.0 214 98 B L H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.2 5,-0.2 0.952 114.0 40.4 -73.2 -46.0 7.6 39.5 23.1 215 99 B V H X S+ 0 0 3 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.971 116.8 50.4 -64.6 -49.5 8.2 41.7 20.1 216 100 B L H < S+ 0 0 72 -4,-3.3 4,-0.3 1,-0.2 -2,-0.2 0.952 115.3 43.5 -47.0 -57.1 4.7 43.1 20.4 217 101 B N H X S+ 0 0 20 -4,-2.7 4,-0.5 1,-0.2 3,-0.4 0.821 116.9 45.4 -58.8 -38.5 5.3 43.8 24.1 218 102 B F H >X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 3,-1.0 0.918 109.2 53.9 -75.4 -43.3 8.7 45.2 23.6 219 103 B V H 3< S+ 0 0 2 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.545 112.9 49.7 -67.5 -2.8 7.7 47.4 20.6 220 104 B E H 34 S+ 0 0 134 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.555 114.8 34.4-114.5 -8.5 5.0 48.8 23.0 221 105 B K H << S+ 0 0 67 -3,-1.0 2,-0.6 -4,-0.5 -2,-0.2 0.347 105.7 70.9-124.3 -0.4 6.8 49.7 26.1 222 106 B E S < S- 0 0 44 -4,-1.3 -1,-0.2 -5,-0.1 -4,-0.0 -0.925 79.2-142.2-118.1 101.8 10.0 50.9 24.7 223 107 B D - 0 0 153 -2,-0.6 -1,-0.1 -3,-0.1 -4,-0.0 0.720 33.4-165.5 -33.9 -31.8 9.3 54.2 22.9 224 108 B L - 0 0 15 -6,-0.1 5,-0.0 4,-0.1 -2,-0.0 0.831 22.2-105.9 40.5 115.8 11.8 53.0 20.2 225 109 B S > - 0 0 65 1,-0.1 4,-1.1 3,-0.0 5,-0.1 -0.002 32.8-105.8 -53.6 171.6 12.9 55.7 17.8 226 110 B Q H > S+ 0 0 169 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.649 121.2 51.9 -79.5 -13.8 11.4 55.6 14.3 227 111 B D H > S+ 0 0 106 2,-0.2 4,-4.1 3,-0.1 5,-0.3 0.851 99.8 59.9 -86.1 -40.9 14.8 54.3 13.0 228 112 B E H > S+ 0 0 62 1,-0.3 4,-3.2 2,-0.3 5,-0.2 0.926 107.1 49.3 -49.9 -42.7 15.0 51.4 15.5 229 113 B I H X S+ 0 0 5 -4,-1.1 4,-1.6 1,-0.2 -1,-0.3 0.904 111.2 49.9 -62.0 -40.2 11.7 50.4 13.9 230 114 B E H X S+ 0 0 101 -4,-0.8 4,-1.8 2,-0.2 -2,-0.3 0.928 112.0 46.1 -64.1 -46.3 13.4 50.8 10.5 231 115 B E H X S+ 0 0 87 -4,-4.1 4,-1.5 1,-0.2 3,-0.2 0.937 109.6 53.8 -63.0 -44.1 16.4 48.7 11.6 232 116 B L H X S+ 0 0 5 -4,-3.2 4,-1.7 -5,-0.3 -1,-0.2 0.848 107.2 54.2 -56.7 -32.6 14.1 46.0 13.1 233 117 B R H X S+ 0 0 53 -4,-1.6 4,-3.1 -5,-0.2 -1,-0.3 0.884 99.7 61.2 -67.0 -41.3 12.5 46.0 9.7 234 118 B N H X S+ 0 0 72 -4,-1.8 4,-0.8 -3,-0.2 -2,-0.2 0.964 105.7 45.9 -45.5 -65.0 16.0 45.4 8.1 235 119 B I H < S+ 0 0 22 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.921 115.6 45.0 -43.5 -65.8 16.4 42.1 9.9 236 120 B L H < S+ 0 0 14 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.853 127.7 29.0 -49.8 -42.0 12.8 40.9 9.2 237 121 B N H < 0 0 80 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.952 360.0 360.0 -85.9 -81.5 13.2 42.0 5.6 238 122 B K < 0 0 208 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.558 360.0 360.0 -73.9 360.0 16.6 41.9 4.0