==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 22-MAR-06 2GFP . COMPND 2 MOLECULE: MULTIDRUG RESISTANCE PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.YIN,X.HE,P.SZEWCZYK,T.NGUYEN,G.CHANG . 750 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 90.4 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 . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 510 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 6.4 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 4 0 0 0 0 0 0 0 2 0 2 2 0 2 2 0 0 6 0 0 0 4 0 2 0 2 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 9 A L >> 0 0 137 0, 0.0 4,-1.7 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0-106.8 -22.7 -25.8 37.7 2 10 A L H 3> + 0 0 114 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.813 360.0 45.3 -36.5 -59.4 -20.0 -27.9 36.1 3 11 A L H 3> S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.814 105.9 60.4 -61.8 -33.4 -21.8 -28.5 32.8 4 12 A M H <> S+ 0 0 41 -3,-1.1 4,-2.3 2,-0.2 5,-0.3 0.941 108.5 46.8 -59.5 -42.6 -22.7 -24.8 32.5 5 13 A L H X S+ 0 0 39 -4,-1.7 4,-3.2 -3,-0.3 5,-0.4 0.977 107.9 53.7 -61.7 -57.4 -19.0 -24.2 32.6 6 14 A V H X S+ 0 0 42 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.824 113.3 44.5 -48.5 -38.5 -18.1 -26.8 30.0 7 15 A L H X S+ 0 0 31 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.982 116.0 42.2 -72.2 -57.9 -20.6 -25.3 27.5 8 16 A L H X S+ 0 0 13 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.875 119.6 45.4 -58.2 -40.5 -19.8 -21.6 27.9 9 17 A V H X S+ 0 0 4 -4,-3.2 4,-2.8 -5,-0.3 5,-0.3 0.881 106.5 61.0 -71.8 -35.2 -16.1 -22.4 27.9 10 18 A A H X S+ 0 0 3 -4,-1.5 4,-2.9 -5,-0.4 -2,-0.2 0.965 110.2 39.0 -54.4 -58.1 -16.5 -24.7 25.0 11 19 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.909 112.1 63.4 -58.1 -39.0 -17.8 -22.0 22.7 12 20 A G H X S+ 0 0 1 -4,-1.8 4,-1.8 -5,-0.3 91,-0.4 0.909 112.2 31.2 -50.5 -54.0 -15.2 -19.8 24.4 13 21 A Q H X>S+ 0 0 6 -4,-2.8 4,-1.8 2,-0.2 5,-0.8 0.854 114.3 62.2 -75.6 -36.3 -12.2 -21.7 23.2 14 22 A M H X5S+ 0 0 1 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.973 114.1 34.0 -52.6 -57.7 -13.9 -22.7 19.9 15 23 A A H X5S+ 0 0 15 -4,-2.9 4,-1.4 84,-0.2 -1,-0.2 0.903 120.5 55.2 -64.2 -40.8 -14.2 -19.1 18.9 16 24 A Q H >X5S+ 0 0 24 -4,-1.8 3,-1.3 83,-0.5 4,-0.9 0.984 116.9 27.4 -55.7 -80.8 -10.9 -18.3 20.6 17 25 A T H ><5S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.889 119.4 58.8 -54.9 -38.5 -8.4 -20.7 19.0 18 26 A I H 3X S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -2,-0.2 0.988 118.1 58.6 -65.4 -48.1 -6.4 -19.4 12.2 22 30 A A H X S+ 0 0 29 -4,-2.6 4,-2.0 1,-0.2 5,-0.5 0.818 108.8 47.2 -44.0 -38.9 -9.5 -17.4 11.1 23 31 A I H X>S+ 0 0 7 -4,-3.0 4,-3.6 2,-0.2 5,-0.7 0.995 110.6 50.2 -64.5 -63.0 -7.3 -14.3 11.7 24 32 A A H X5S+ 0 0 1 -4,-2.2 4,-1.4 -5,-0.3 202,-0.3 0.859 115.1 47.6 -38.7 -47.2 -4.4 -15.8 9.8 25 33 A D H <5S+ 0 0 9 -4,-3.2 3,-0.3 200,-0.5 201,-0.2 0.993 124.6 23.0 -60.8 -79.7 -6.9 -16.5 7.0 26 34 A M H ><5S+ 0 0 47 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.826 122.2 57.1 -62.2 -35.6 -8.8 -13.3 6.5 27 35 A A H ><5S+ 0 0 0 -4,-3.6 3,-1.2 -5,-0.5 -1,-0.2 0.875 107.9 47.0 -65.9 -37.1 -6.0 -11.1 8.0 28 36 A R T 3< S- 0 0 80 56,-0.1 4,-1.1 2,-0.1 5,-0.2 -0.674 85.2-154.0 -90.8 86.6 -2.4 -4.9 6.6 33 41 A R T 4 - 0 0 145 -2,-1.2 2,-2.9 -3,-0.3 -5,-0.2 -0.307 64.1 -22.7 -63.4 142.3 -0.9 -8.4 5.9 34 42 A E T > S+ 0 0 14 1,-0.2 4,-1.2 -10,-0.2 -1,-0.2 0.100 122.7 78.5 41.7 -17.3 0.9 -10.2 8.7 35 43 A G H > S+ 0 0 36 -2,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.951 95.7 51.0 -74.7 -40.9 1.6 -7.1 10.8 36 44 A A H X S+ 0 0 16 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.842 102.5 56.3 -60.7 -43.0 -2.0 -7.3 11.8 37 45 A V H > S+ 0 0 7 -5,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.926 106.8 50.9 -60.5 -41.4 -1.9 -10.9 12.9 38 46 A Q H >X S+ 0 0 33 -4,-1.2 4,-1.4 1,-0.2 3,-0.7 0.958 110.3 50.3 -57.3 -45.6 0.9 -10.1 15.3 39 47 A S H 3X S+ 0 0 51 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.842 101.9 62.4 -59.8 -34.6 -1.3 -7.2 16.5 40 48 A V H 3X S+ 0 0 21 -4,-2.2 4,-1.4 1,-0.2 -1,-0.3 0.881 99.8 52.8 -60.2 -39.4 -4.2 -9.8 16.9 41 49 A M H S+ 0 0 70 -4,-2.0 5,-1.9 -5,-0.3 4,-0.5 0.780 118.6 59.6 -60.7 -24.7 -8.9 -5.9 31.0 51 59 A S H X>S+ 0 0 7 -4,-2.3 4,-1.5 -5,-0.3 5,-1.1 0.990 106.9 36.9 -66.9 -79.9 -11.0 -8.9 31.7 52 60 A Q H <5S+ 0 0 16 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.1 0.872 129.6 40.8 -39.6 -44.8 -9.4 -10.5 34.8 53 61 A L T ><5S+ 0 0 28 -4,-2.0 3,-1.3 -5,-0.4 -3,-0.2 0.951 133.5 12.0 -68.3 -93.2 -8.8 -6.9 35.9 54 62 A F T 3>5S+ 0 0 87 -4,-0.5 4,-1.7 1,-0.3 -3,-0.2 0.823 127.0 56.8 -59.1 -36.9 -11.8 -4.7 35.2 55 63 A Y H 3X4 S+ 0 0 10 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.873 114.4 54.6 -53.8 -33.9 -15.2 -5.8 39.3 58 66 A I H 3X S+ 0 0 75 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.861 99.1 61.5 -65.9 -34.9 -17.8 -6.7 36.6 59 67 A S H << S+ 0 0 17 -4,-2.8 2,-1.1 -3,-0.7 -1,-0.2 0.800 95.7 67.4 -61.0 -29.8 -17.8 -10.2 38.0 60 68 A D T << S+ 0 0 29 -4,-1.1 -1,-0.2 -3,-0.5 118,-0.1 -0.689 104.2 30.7 -96.6 82.8 -19.0 -8.8 41.3 61 69 A R T 4 S- 0 0 124 -2,-1.1 2,-0.2 116,-0.3 -2,-0.1 -0.328 108.4 -73.7 176.3 -80.1 -22.5 -7.5 40.5 62 70 A V S < S+ 0 0 66 -4,-0.8 110,-0.1 109,-0.1 -2,-0.1 -0.833 73.1 111.6 167.5 162.1 -24.5 -9.4 37.8 63 71 A G > + 0 0 10 108,-0.4 5,-2.5 -2,-0.2 4,-0.1 0.386 38.6 120.8 134.1 -2.2 -24.4 -9.7 34.0 64 72 A R I >S+ 0 0 62 107,-1.1 5,-1.8 3,-0.2 6,-0.3 0.978 87.4 27.1 -54.4 -74.8 -23.2 -13.2 33.2 65 73 A R I >S+ 0 0 133 105,-0.5 5,-2.9 106,-0.4 6,-0.4 0.965 129.3 42.1 -56.8 -52.2 -26.2 -14.4 31.2 66 74 A P I >S+ 0 0 53 0, 0.0 5,-2.5 0, 0.0 4,-0.2 0.950 130.1 14.7 -58.1 -86.1 -27.3 -11.0 29.9 67 75 A V I >S+ 0 0 103 3,-0.2 5,-1.3 4,-0.1 -3,-0.2 0.948 129.5 47.9 -57.0 -57.1 -24.2 -9.0 28.9 68 76 A I I >X S+ 0 0 11 -4,-1.9 4,-0.7 -5,-0.3 3,-0.5 0.954 105.5 48.5 -68.2 -51.0 -23.4 -13.8 21.0 74 82 A I H >X S+ 0 0 99 -4,-2.2 3,-1.5 1,-0.3 4,-1.2 0.900 108.0 57.1 -58.2 -35.0 -25.8 -11.4 19.3 75 83 A F H 3X S+ 0 0 121 -4,-2.0 4,-1.0 1,-0.3 -1,-0.3 0.896 98.4 62.1 -62.1 -34.6 -22.8 -9.3 18.3 76 84 A M H S+ 0 0 55 -4,-1.2 4,-1.7 -3,-0.3 5,-0.7 0.844 98.6 91.1 -56.6 -26.3 -23.3 -9.1 13.0 79 87 A T H X5S+ 0 0 14 -4,-1.0 4,-3.2 1,-0.2 -2,-0.2 0.854 86.3 26.4 -40.4 -91.5 -20.1 -11.3 12.7 80 88 A L H <5S+ 0 0 45 -4,-0.6 -1,-0.2 2,-0.2 7,-0.1 0.841 122.7 50.9 -53.1 -38.6 -19.9 -13.0 9.2 81 89 A V H >X5S+ 0 0 113 -4,-0.7 3,-1.6 1,-0.2 4,-0.9 0.988 122.8 27.3 -59.1 -67.5 -22.0 -10.4 7.3 82 90 A A H 3X5S+ 0 0 38 -4,-1.7 4,-1.9 1,-0.3 5,-0.3 0.894 116.2 65.6 -61.5 -38.0 -20.1 -7.2 8.4 83 91 A V H 3< S+ 0 0 71 -3,-1.6 4,-0.9 -5,-0.2 3,-0.4 0.734 121.3 21.3-100.7 -70.1 -16.6 -10.0 5.3 85 93 A T H X S+ 0 0 113 -4,-0.9 4,-0.9 1,-0.3 3,-0.5 0.979 140.2 35.2 -60.1 -51.8 -16.6 -6.6 3.6 86 94 A S H <>S+ 0 0 34 -4,-1.9 5,-2.2 -5,-0.3 6,-0.7 0.540 92.1 99.2 -79.3 -2.6 -15.6 -5.1 6.9 87 95 A S H >>S+ 0 0 10 -3,-0.4 5,-2.3 -5,-0.3 4,-0.8 0.957 97.7 33.1 -42.2 -62.3 -13.5 -8.3 7.5 88 96 A L H X5S+ 0 0 90 -4,-0.9 4,-0.8 -3,-0.5 3,-0.4 0.951 108.5 76.7 -54.6 -70.1 -10.7 -6.1 6.3 89 97 A T H <5S- 0 0 77 -4,-0.9 -1,-0.1 1,-0.3 -5,-0.0 0.007 129.0 -73.8 -47.4 87.8 -12.3 -3.0 7.9 90 98 A V H >5S+ 0 0 100 -2,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.571 116.7 103.2 31.2 18.5 -11.4 -3.6 11.6 91 99 A L H X S+ 0 0 42 -6,-0.4 4,-2.1 -5,-0.3 -2,-0.3 0.989 107.9 42.8 -68.6 -57.7 -10.8 -6.8 14.6 94 102 A A H X S+ 0 0 42 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.900 114.0 53.3 -53.7 -47.0 -14.3 -7.1 16.2 95 103 A S H X S+ 0 0 30 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.953 108.4 46.8 -54.6 -59.2 -14.4 -10.9 15.4 96 104 A A H X S+ 0 0 6 -4,-1.8 4,-1.6 -5,-0.2 3,-0.4 0.933 113.0 50.6 -50.1 -52.1 -11.1 -11.8 16.9 97 105 A M H X S+ 0 0 61 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.933 106.5 52.6 -54.3 -54.1 -11.8 -9.9 20.1 98 106 A Q H X S+ 0 0 41 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.827 102.6 60.5 -54.9 -33.9 -15.3 -11.4 20.7 99 107 A G H >X S+ 0 0 4 -4,-1.7 4,-1.1 -3,-0.4 3,-0.8 0.982 108.2 42.2 -57.9 -54.6 -13.9 -14.9 20.5 100 108 A M H 3X S+ 0 0 9 -4,-1.6 4,-1.0 1,-0.2 -1,-0.3 0.684 103.3 73.2 -66.1 -13.7 -11.6 -14.3 23.4 101 109 A G H >X S+ 0 0 1 -4,-1.1 3,-1.2 2,-0.3 4,-1.0 0.944 95.5 46.9 -64.7 -47.0 -14.6 -12.6 25.0 102 110 A T H XX S+ 0 0 2 -4,-1.6 4,-1.1 -3,-0.8 3,-0.6 0.872 105.0 64.2 -61.9 -29.3 -16.2 -15.9 25.6 103 111 A G H 3X S+ 0 0 9 -4,-1.1 4,-1.0 -91,-0.4 -1,-0.3 0.836 91.3 62.6 -60.7 -31.8 -12.8 -16.8 26.9 104 112 A V H XX S+ 0 0 7 -3,-1.2 4,-1.4 -4,-1.0 3,-0.9 0.899 96.4 58.1 -59.6 -39.9 -13.4 -14.1 29.6 105 113 A G H X S+ 0 0 30 -4,-1.3 3,-1.3 2,-0.2 4,-0.8 0.975 106.0 37.6 -58.4 -69.3 -12.7 -19.2 40.0 112 120 A L H >X S+ 0 0 63 -4,-1.6 3,-2.0 1,-0.3 4,-1.3 0.912 112.3 57.0 -54.3 -51.3 -15.6 -21.3 41.1 113 121 A P H 3> S+ 0 0 17 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.792 97.2 65.9 -52.9 -21.8 -13.9 -24.6 40.5 114 122 A R H < S+ 0 0 90 -4,-1.3 3,-0.8 1,-0.3 4,-0.4 0.802 99.9 62.0 -58.1 -27.4 -14.2 -27.1 44.5 117 125 A Y H >< S+ 0 0 81 -4,-1.0 3,-2.2 1,-0.3 5,-0.5 0.936 92.9 61.4 -63.9 -44.8 -10.4 -27.2 45.3 118 126 A E H << S+ 0 0 168 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.735 93.7 69.3 -53.9 -21.0 -11.2 -26.3 48.9 119 127 A R T << S- 0 0 188 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.798 121.7 -33.0 -69.5 -31.2 -13.1 -29.6 48.9 120 128 A T S < S- 0 0 109 -3,-2.2 -3,-0.1 -4,-0.4 -4,-0.0 -0.223 98.0 -41.1-149.9-116.4 -9.9 -31.7 48.7 121 129 A Q S S+ 0 0 113 -2,-0.1 -4,-0.1 0, 0.0 -3,-0.1 0.161 80.9 132.6-118.5 12.8 -6.4 -31.6 47.1 122 130 A L + 0 0 59 -5,-0.5 -2,-0.1 -6,-0.3 0, 0.0 -0.281 26.5 176.0 -64.1 153.1 -7.3 -30.1 43.7 123 131 A R - 0 0 75 -5,-0.0 -1,-0.1 0, 0.0 -6,-0.1 0.667 58.7 -60.6-127.3 -48.4 -5.2 -27.1 42.6 124 132 A H S > S+ 0 0 8 -7,-0.0 4,-1.7 121,-0.0 3,-0.4 0.301 103.9 92.3-172.0 -38.4 -6.1 -25.9 39.0 125 133 A A H > S+ 0 0 11 1,-0.2 4,-3.2 120,-0.2 5,-0.3 0.835 80.0 71.1 -42.2 -43.5 -5.7 -28.6 36.3 126 134 A N H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.900 106.0 30.7 -40.8 -70.7 -9.3 -29.6 36.7 127 135 A S H > S+ 0 0 8 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.906 121.2 53.0 -61.8 -42.2 -11.1 -26.5 35.2 128 136 A L H X S+ 0 0 18 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.830 106.1 53.2 -64.3 -30.0 -8.2 -25.9 32.8 129 137 A L H X S+ 0 0 66 -4,-3.2 4,-2.6 -5,-0.2 5,-0.4 0.910 104.3 57.8 -68.6 -42.4 -8.4 -29.5 31.5 130 138 A N H X S+ 0 0 33 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.971 116.3 33.0 -48.4 -62.3 -12.1 -28.9 30.9 131 139 A M H X S+ 0 0 25 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.984 117.1 53.9 -58.9 -67.5 -11.4 -26.0 28.6 132 140 A G H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 110,-0.2 0.789 109.6 47.1 -35.6 -53.5 -8.1 -27.2 27.1 133 141 A I H < S+ 0 0 88 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.969 110.0 50.6 -59.5 -56.3 -9.4 -30.5 26.0 134 142 A L H X S+ 0 0 44 -4,-1.7 4,-0.9 -5,-0.4 5,-0.4 0.895 111.6 53.5 -49.9 -39.6 -12.6 -29.2 24.3 135 143 A V H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.2 5,-0.4 0.985 103.4 51.7 -58.4 -73.5 -10.3 -26.7 22.5 136 144 A S H X S+ 0 0 11 -4,-2.0 4,-1.9 102,-0.2 -2,-0.2 0.819 120.2 27.1 -34.6 -68.7 -7.8 -29.1 20.9 137 145 A P H 4 S+ 0 0 61 0, 0.0 5,-0.4 0, 0.0 3,-0.3 0.995 119.1 51.5 -67.0 -59.9 -10.1 -31.6 19.2 138 146 A L H < S+ 0 0 78 -4,-0.9 -2,-0.2 -5,-0.3 -3,-0.2 0.844 114.7 46.9 -41.1 -43.3 -13.2 -29.5 18.4 139 147 A L H >X>S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.4 3,-1.1 0.923 108.1 54.5 -67.5 -47.7 -11.0 -26.9 16.8 140 148 A A H 3X>S+ 0 0 15 -4,-1.9 4,-1.6 -5,-0.4 5,-0.6 0.981 115.3 35.9 -54.5 -70.1 -8.9 -29.2 14.7 141 149 A P H 345S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.461 109.7 74.5 -67.4 8.4 -11.8 -31.0 12.9 142 150 A L H <>5S+ 0 0 14 -3,-1.1 4,-1.6 -5,-0.4 3,-0.2 0.891 119.4 4.0 -76.9 -85.6 -13.6 -27.6 12.9 143 151 A I H X5S+ 0 0 12 -4,-1.1 4,-1.0 1,-0.3 -3,-0.1 0.933 139.6 50.2 -64.8 -44.6 -11.7 -25.7 10.2 144 152 A G H < + 0 0 4 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 -0.390 35.9 149.3 -78.8 67.2 -16.0 -22.9 8.8 150 158 A M H >> S+ 0 0 52 -2,-2.4 4,-1.7 2,-0.2 3,-0.8 0.983 78.7 19.8 -62.1 -82.7 -18.4 -19.9 8.2 151 159 A W H 3> S+ 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108.0 57.1 -57.9 -35.0 56.0 11.4 19.1 451 83 B F H 3X S+ 0 0 121 -4,-2.0 4,-1.0 1,-0.3 -1,-0.3 0.896 98.4 62.1 -62.1 -34.7 52.9 9.3 18.1 452 84 B M H S+ 0 0 55 -4,-1.2 4,-1.7 -3,-0.3 5,-0.7 0.844 98.6 91.1 -56.7 -26.2 53.3 9.2 12.8 455 87 B T H X5S+ 0 0 13 -4,-1.0 4,-3.2 1,-0.2 -2,-0.2 0.854 86.3 26.5 -40.5 -91.4 50.2 11.4 12.5 456 88 B L H <5S+ 0 0 44 -4,-0.6 -1,-0.2 2,-0.2 7,-0.1 0.843 122.7 50.9 -53.1 -38.5 49.9 13.1 9.1 457 89 B V H >X5S+ 0 0 112 -4,-0.7 3,-1.6 1,-0.2 4,-0.9 0.988 122.8 27.3 -59.2 -67.4 51.9 10.5 7.1 458 90 B A H 3X5S+ 0 0 38 -4,-1.7 4,-1.9 1,-0.3 5,-0.3 0.894 116.2 65.6 -61.6 -38.0 50.1 7.3 8.2 459 91 B V H 3< S+ 0 0 72 -3,-1.6 4,-0.9 -5,-0.2 3,-0.4 0.733 121.3 21.3-100.8 -70.0 46.5 10.1 5.1 461 93 B T H X S+ 0 0 113 -4,-0.9 4,-0.9 1,-0.3 3,-0.5 0.980 140.2 35.2 -60.1 -51.8 46.5 6.7 3.5 462 94 B S H <>S+ 0 0 34 -4,-1.9 5,-2.2 -5,-0.3 6,-0.7 0.542 92.1 99.1 -79.3 -2.6 45.5 5.2 6.7 463 95 B S H >>S+ 0 0 10 -3,-0.4 5,-2.3 -5,-0.3 4,-0.8 0.957 97.7 33.1 -42.3 -62.3 43.4 8.4 7.4 464 96 B L H X5S+ 0 0 90 -4,-0.9 4,-0.8 -3,-0.5 3,-0.4 0.952 108.5 76.7 -54.6 -70.0 40.7 6.2 6.2 465 97 B T H <5S- 0 0 76 -4,-0.9 -1,-0.1 1,-0.3 -5,-0.0 0.008 129.0 -73.8 -47.4 87.8 42.3 3.1 7.7 466 98 B V H >5S+ 0 0 100 -2,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.572 116.7 103.2 31.2 18.6 41.4 3.6 11.4 467 99 B L H X S+ 0 0 42 -6,-0.4 4,-2.1 -5,-0.3 -2,-0.3 0.989 107.9 42.7 -68.6 -57.8 40.9 6.8 14.5 470 102 B A H X S+ 0 0 42 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.900 114.0 53.3 -53.7 -47.0 44.3 7.2 16.1 471 103 B S H X S+ 0 0 30 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.953 108.4 46.8 -54.5 -59.2 44.5 10.9 15.3 472 104 B A H X S+ 0 0 5 -4,-1.8 4,-1.6 -5,-0.2 3,-0.4 0.933 113.0 50.6 -50.1 -52.1 41.2 11.9 16.9 473 105 B M H X S+ 0 0 61 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.933 106.5 52.6 -54.4 -54.0 42.0 9.9 20.0 474 106 B Q H X S+ 0 0 40 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.827 102.6 60.5 -54.9 -33.9 45.4 11.4 20.6 475 107 B G H >X S+ 0 0 4 -4,-1.7 4,-1.1 -3,-0.4 3,-0.8 0.982 108.2 42.2 -57.8 -54.7 44.0 14.9 20.4 476 108 B M H 3X S+ 0 0 10 -4,-1.6 4,-1.0 1,-0.2 -1,-0.3 0.684 103.3 73.2 -66.1 -13.7 41.7 14.3 23.4 477 109 B G H >X S+ 0 0 1 -4,-1.1 3,-1.2 2,-0.3 4,-1.0 0.944 95.6 46.9 -64.7 -47.0 44.8 12.6 24.9 478 110 B T H XX S+ 0 0 2 -4,-1.6 4,-1.1 -3,-0.8 3,-0.6 0.872 105.0 64.2 -61.9 -29.2 46.4 15.9 25.5 479 111 B G H 3X S+ 0 0 9 -4,-1.1 4,-1.0 -91,-0.4 -1,-0.3 0.835 91.2 62.6 -60.6 -31.9 43.0 16.7 26.8 480 112 B V H XX S+ 0 0 8 -3,-1.2 4,-1.4 -4,-1.0 3,-0.9 0.899 96.4 58.1 -59.6 -39.8 43.7 14.1 29.5 481 113 B G H X S+ 0 0 30 -4,-1.3 3,-1.3 2,-0.2 4,-0.8 0.975 106.0 37.6 -58.6 -69.3 43.1 19.1 39.9 488 120 B L H >X S+ 0 0 63 -4,-1.6 3,-2.0 1,-0.3 4,-1.3 0.913 112.3 57.0 -54.3 -51.2 46.1 21.2 41.1 489 121 B P H 3> S+ 0 0 17 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.792 97.2 66.0 -52.9 -21.9 44.4 24.5 40.4 490 122 B R H < S+ 0 0 89 -4,-1.3 3,-0.8 1,-0.3 4,-0.4 0.802 99.9 62.0 -58.0 -27.4 44.7 27.0 44.5 493 125 B Y H >< S+ 0 0 81 -4,-1.0 3,-2.2 1,-0.3 5,-0.5 0.937 92.9 61.4 -63.9 -44.7 40.9 27.1 45.3 494 126 B E H << S+ 0 0 168 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.734 93.7 69.3 -53.9 -21.0 41.8 26.1 48.9 495 127 B R T << S- 0 0 187 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.794 121.7 -33.0 -69.4 -31.4 43.6 29.4 48.9 496 128 B T S < S- 0 0 110 -3,-2.2 -3,-0.1 -4,-0.4 -4,-0.0 -0.230 98.0 -41.2-149.8-116.4 40.5 31.6 48.7 497 129 B Q S S+ 0 0 114 -2,-0.1 -4,-0.1 0, 0.0 -3,-0.1 0.161 80.9 132.6-118.7 12.8 36.9 31.5 47.2 498 130 B L + 0 0 59 -5,-0.5 -2,-0.1 -6,-0.3 0, 0.0 -0.281 26.5 176.0 -64.2 153.2 37.8 30.0 43.8 499 131 B R - 0 0 76 -5,-0.0 -1,-0.1 0, 0.0 -6,-0.1 0.667 58.7 -60.6-127.3 -48.5 35.6 27.1 42.7 500 132 B H S > S+ 0 0 7 -7,-0.0 4,-1.7 121,-0.0 3,-0.4 0.302 103.9 92.3-172.0 -38.4 36.5 25.8 39.1 501 133 B A H > S+ 0 0 11 1,-0.2 4,-3.2 120,-0.2 5,-0.3 0.836 80.0 71.1 -42.2 -43.5 36.1 28.5 36.4 502 134 B N H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.900 106.0 30.7 -40.8 -70.6 39.7 29.5 36.8 503 135 B S H > S+ 0 0 8 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.908 121.2 53.0 -61.8 -42.2 41.4 26.4 35.3 504 136 B L H X S+ 0 0 18 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.829 106.1 53.2 -64.4 -30.0 38.5 25.8 32.9 505 137 B L H X S+ 0 0 66 -4,-3.2 4,-2.6 -5,-0.2 5,-0.4 0.910 104.3 57.9 -68.5 -42.4 38.7 29.4 31.6 506 138 B N H X S+ 0 0 33 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.971 116.3 33.0 -48.4 -62.3 42.4 28.8 30.9 507 139 B M H X S+ 0 0 25 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.984 117.1 53.9 -58.9 -67.5 41.6 25.9 28.6 508 140 B G H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 110,-0.2 0.788 109.5 47.1 -35.6 -53.6 38.3 27.2 27.2 509 141 B I H < S+ 0 0 88 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.970 110.0 50.5 -59.3 -56.3 39.7 30.5 26.0 510 142 B L H X S+ 0 0 44 -4,-1.7 4,-0.9 -5,-0.4 5,-0.4 0.895 111.6 53.5 -50.0 -39.4 42.8 29.2 24.3 511 143 B V H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.2 5,-0.4 0.985 103.4 51.7 -58.5 -73.4 40.5 26.7 22.5 512 144 B S H X S+ 0 0 10 -4,-2.0 4,-1.9 102,-0.2 -2,-0.2 0.818 120.2 27.1 -34.6 -68.7 38.0 29.1 21.0 513 145 B P H 4 S+ 0 0 61 0, 0.0 5,-0.4 0, 0.0 3,-0.3 0.995 119.1 51.5 -67.0 -59.9 40.2 31.6 19.2 514 146 B L H < S+ 0 0 78 -4,-0.9 -2,-0.2 -5,-0.3 -3,-0.2 0.844 114.7 46.9 -41.1 -43.4 43.4 29.6 18.5 515 147 B L H >X>S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.4 3,-1.1 0.923 108.1 54.5 -67.3 -47.7 41.2 26.9 16.9 516 148 B A H 3X>S+ 0 0 15 -4,-1.9 4,-1.6 -5,-0.4 5,-0.6 0.981 115.4 35.9 -54.6 -70.0 39.0 29.3 14.8 517 149 B P H 345S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.460 109.7 74.5 -67.4 8.4 41.8 31.1 12.9 518 150 B L H <>5S+ 0 0 15 -3,-1.1 4,-1.6 -5,-0.4 3,-0.2 0.891 119.4 4.0 -76.9 -85.5 43.6 27.7 12.9 519 151 B I H X5S+ 0 0 12 -4,-1.1 4,-1.0 1,-0.3 -3,-0.1 0.933 139.6 50.2 -65.0 -44.6 41.7 25.7 10.2 520 152 B G H < + 0 0 4 -2,-0.7 4,-1.9 1,-0.2 5,-0.2 -0.392 35.8 149.3 -79.0 67.3 46.0 23.0 8.7 526 158 B M H >> S+ 0 0 53 -2,-2.4 4,-1.7 2,-0.2 3,-0.8 0.983 78.7 19.8 -62.1 -82.6 48.4 20.0 8.1 527 159 B W H 3> S+ 0 0 207 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.634 120.6 68.3 -66.3 -10.1 51.7 21.2 9.4 528 160 B N H 3> S+ 0 0 53 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.920 102.1 42.2 -74.0 -45.9 49.8 23.8 11.4 529 161 B W H S+ 0 0 48 -4,-2.4 4,-2.3 3,-0.2 5,-0.7 0.991 114.1 49.8 -62.0 -65.8 53.0 22.9 15.0 532 164 B C H X5S+ 0 0 21 -4,-3.1 4,-1.8 3,-0.2 5,-0.4 0.874 119.9 35.7 -40.9 -58.2 50.2 23.7 17.5 533 165 B Y H X5S+ 0 0 5 -4,-2.3 4,-2.6 3,-0.2 5,-0.3 0.995 126.8 35.6 -62.4 -67.6 50.3 20.3 19.2 534 166 B L H X5S+ 0 0 47 -4,-1.7 4,-3.4 -5,-0.4 5,-0.4 0.961 122.3 44.6 -50.8 -63.2 54.0 19.5 19.1 535 167 B F H X5S+ 0 0 112 -4,-2.3 4,-1.4 -5,-0.5 -3,-0.2 0.884 118.0 41.6 -51.1 -51.4 55.2 23.1 19.6 536 168 B L H XX S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 3,-1.4 0.975 113.6 48.8 -55.2 -57.1 55.1 22.9 28.1 541 173 B A H >X S+ 0 0 25 -4,-2.8 4,-1.9 1,-0.3 3,-1.1 0.913 107.8 53.8 -48.4 -54.8 57.7 20.2 28.5 542 174 B G H 3< S+ 0 0 62 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.749 122.0 30.7 -54.6 -27.9 60.6 22.5 28.0 543 175 B V H << S+ 0 0 71 -4,-1.4 -1,-0.3 -3,-1.4 -2,-0.2 0.386 111.7 65.5-112.4 0.1 59.3 24.7 30.9 544 176 B T H << + 0 0 3 -4,-1.4 -3,-0.2 -3,-1.1 -2,-0.2 0.901 59.3 169.4 -85.0 -47.2 57.6 21.9 32.9 545 177 B F < + 0 0 163 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.1 0.758 42.7 110.3 36.1 40.4 60.8 20.1 33.9 546 178 B S - 0 0 40 1,-0.1 -105,-0.5 -5,-0.1 -1,-0.1 -0.994 56.4-158.5-141.4 144.0 58.7 18.0 36.4 547 179 B M - 0 0 82 -2,-0.3 -107,-1.1 -107,-0.1 -106,-0.4 0.923 66.9 -71.0 -85.2 -51.3 57.6 14.4 36.5 548 180 B A + 0 0 28 -108,-0.1 3,-0.2 -110,-0.1 2,-0.2 0.048 65.3 168.1 151.4 87.8 54.6 14.6 38.9 549 181 B R + 0 0 180 1,-0.1 -111,-0.0 -113,-0.0 -3,-0.0 -0.677 48.6 56.6-114.7 172.7 55.2 15.3 42.5 550 182 B W S S+ 0 0 235 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.560 96.1 83.7 82.4 14.4 53.1 16.2 45.6 551 183 B M S S- 0 0 81 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.0 -0.940 79.7 -90.6-145.0 161.2 50.9 13.1 45.1 552 184 B P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.363 40.4-120.0 -53.6-166.5 50.7 9.4 45.9 553 185 B E + 0 0 119 1,-0.1 -116,-0.3 -117,-0.1 -117,-0.1 -0.977 53.4 51.5-150.8 157.7 51.9 6.4 43.8 554 186 B T - 0 0 40 -2,-0.3 3,-0.3 -118,-0.1 -117,-0.2 0.962 25.5-171.9 80.9 97.2 51.1 3.1 42.0 555 187 B R S >> S+ 0 0 108 1,-0.2 3,-2.8 2,-0.2 4,-1.7 0.913 88.3 62.6 -71.6 -47.1 48.5 2.4 39.3 556 188 B P T 34 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.760 114.4 35.9 -51.7 -27.6 49.0 -1.4 39.3 557 189 B V T 34 S+ 0 0 119 -3,-0.3 -2,-0.2 -124,-0.1 -4,-0.1 -0.088 114.5 61.4-116.6 31.4 47.9 -1.4 42.9 558 190 B D T <4 + 0 0 67 -3,-2.8 -3,-0.1 2,-0.1 -1,-0.1 0.687 61.0 117.0-123.8 -39.3 45.3 1.3 42.5 559 191 B A < - 0 0 23 -4,-1.7 2,-0.2 1,-0.1 -129,-0.1 -0.098 53.7-148.0 -41.9 115.9 42.6 0.3 39.9 560 192 B P + 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.535 26.0 164.3 -91.4 158.5 39.2 0.1 41.7 561 193 B R + 0 0 191 -2,-0.2 2,-0.2 2,-0.0 129,-0.1 -0.771 19.1 124.1-173.0 118.5 36.1 -2.1 41.3 562 194 B T - 0 0 85 -2,-0.2 2,-0.3 127,-0.1 0, 0.0 -0.792 33.0-125.3-156.7-161.2 33.1 -2.7 43.7 563 195 B R >> - 0 0 133 -2,-0.2 3,-1.4 1,-0.0 4,-0.8 -0.945 35.4 -82.0-157.3 178.5 29.2 -2.5 43.9 564 196 B L T 34 S+ 0 0 33 -2,-0.3 6,-0.1 1,-0.3 7,-0.1 0.364 90.2 104.8 -66.4 9.1 25.8 -1.5 45.3 565 197 B L T 34 S+ 0 0 117 1,-0.2 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