==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 18-JUN-13 4L9J . COMPND 2 MOLECULE: MEPR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR I.BIRUKOU,R.G.BRENNAN . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 76.4 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 . 16 5.8 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 0 0 0 1 3 0 0 0 0 2 0 2 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 . 1 1 0 1 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 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 2 A E 0 0 107 0, 0.0 175,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.1 31.5 70.3 23.3 2 3 A F + 0 0 133 4,-0.1 2,-0.1 5,-0.0 267,-0.1 0.288 360.0 119.0 -96.5 2.4 28.3 68.2 22.5 3 4 A T S > S- 0 0 50 1,-0.1 4,-3.0 4,-0.0 5,-0.1 -0.368 71.4-132.4 -67.8 146.4 26.3 70.9 24.4 4 5 A Y H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.846 110.0 63.3 -66.2 -37.9 23.6 72.8 22.6 5 6 A S H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.987 111.7 36.0 -49.8 -59.4 25.1 75.9 24.1 6 7 A Y H > S+ 0 0 37 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.962 118.9 50.2 -51.2 -57.9 28.3 75.1 22.1 7 8 A L H >X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 3,-0.6 0.929 114.5 42.6 -47.4 -59.9 26.5 73.8 19.0 8 9 A F H 3X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 5,-0.3 0.920 111.3 52.3 -62.0 -47.0 24.1 76.7 18.6 9 10 A R H 3X S+ 0 0 23 -4,-2.1 4,-0.9 -5,-0.5 -1,-0.2 0.787 116.3 43.1 -62.6 -21.6 26.7 79.5 19.3 10 11 A X H < S+ 0 0 74 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.886 111.0 55.3 -76.8 -39.8 30.3 88.1 1.5 23 24 A L H >X>S+ 0 0 1 -4,-3.0 3,-2.0 1,-0.3 5,-1.1 0.571 81.5 89.3 -74.2 -6.1 28.4 91.3 2.3 24 25 A E G ><5S+ 0 0 75 -4,-0.8 3,-0.9 1,-0.3 -1,-0.3 0.878 83.2 59.4 -55.7 -33.1 31.6 93.2 2.5 25 26 A Q G <45S+ 0 0 156 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.627 105.8 46.5 -71.3 -13.0 31.0 93.8 -1.2 26 27 A F G <45S- 0 0 38 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.443 104.5-123.9-107.7 -6.1 27.7 95.5 -0.6 27 28 A D T <<5S+ 0 0 125 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.853 72.7 116.8 62.4 35.6 28.7 97.9 2.2 28 29 A I < - 0 0 10 -5,-1.1 -1,-0.3 -8,-0.1 -2,-0.2 -0.962 58.4-127.3-130.6 156.3 26.1 96.5 4.5 29 30 A T > - 0 0 73 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.439 32.1 -98.9 -94.2 169.5 26.4 94.7 7.8 30 31 A N H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 122.7 46.9 -52.2 -53.4 24.8 91.4 9.0 31 32 A E H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 113.0 48.9 -57.6 -47.9 22.0 93.1 10.9 32 33 A Q H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.877 107.2 55.4 -61.0 -35.2 21.2 95.4 8.0 33 34 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.933 111.9 44.2 -60.9 -48.4 21.2 92.5 5.6 34 35 A H H X S+ 0 0 35 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.840 112.9 51.5 -65.5 -36.3 18.6 90.9 7.8 35 36 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.964 111.5 45.8 -65.9 -50.1 16.6 94.1 8.1 36 37 A L H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.862 112.7 52.4 -56.6 -41.2 16.5 94.7 4.4 37 38 A G H X S+ 0 0 23 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.923 108.9 48.4 -63.4 -47.7 15.5 91.1 3.8 38 39 A Y H X S+ 0 0 74 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.935 113.2 48.7 -58.0 -44.4 12.7 91.3 6.3 39 40 A L H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.964 112.5 48.9 -62.7 -43.9 11.6 94.5 4.6 40 41 A Y H < S+ 0 0 94 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.917 121.0 34.0 -55.7 -50.1 11.8 92.8 1.2 41 42 A A H < S+ 0 0 49 -4,-3.0 3,-0.2 1,-0.2 -2,-0.2 0.936 131.9 21.1 -76.0 -53.4 9.9 89.8 2.3 42 43 A H H >< S+ 0 0 103 -4,-2.5 3,-1.0 -5,-0.3 5,-0.3 0.180 91.0 116.2-111.4 22.2 7.2 90.6 4.7 43 44 A Q G >< + 0 0 35 -4,-1.0 3,-1.5 -5,-0.3 4,-0.3 0.685 59.7 66.7 -58.7 -37.6 7.1 94.5 3.8 44 45 A Q G 3 S+ 0 0 135 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.374 83.8 81.8 -71.1 1.5 3.6 94.9 2.4 45 46 A D G < S- 0 0 114 -3,-1.0 -1,-0.3 2,-0.0 -2,-0.2 0.683 106.4-116.1 -83.1 -22.2 2.4 94.2 5.9 46 47 A G < - 0 0 5 -3,-1.5 -2,-0.1 44,-0.2 -3,-0.1 0.748 43.8-175.5 92.5 20.5 3.0 97.7 7.0 47 48 A L - 0 0 6 -5,-0.3 43,-2.0 -4,-0.3 -1,-0.2 -0.349 6.6-155.5 -60.9 135.0 5.7 97.1 9.6 48 49 A T B > -A 89 0A 13 41,-0.2 4,-1.6 -2,-0.1 5,-0.2 -0.210 38.7 -84.3 -95.1-173.4 6.9 100.0 11.6 49 50 A Q H > S+ 0 0 54 39,-0.6 4,-1.7 1,-0.2 3,-0.1 0.905 129.4 52.6 -61.6 -39.7 10.1 100.8 13.4 50 51 A N H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 103.8 56.4 -62.3 -41.5 8.8 98.8 16.5 51 52 A D H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 107.5 47.5 -58.0 -44.1 8.0 95.8 14.4 52 53 A I H X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.877 109.1 55.4 -62.8 -42.0 11.6 95.6 13.1 53 54 A A H X>S+ 0 0 19 -4,-1.7 5,-1.3 2,-0.2 4,-1.0 0.875 110.4 45.4 -54.7 -46.2 12.8 96.0 16.8 54 55 A K H <5S+ 0 0 59 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.931 114.3 48.8 -63.3 -43.5 10.6 93.0 17.7 55 56 A A H <5S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.723 118.6 38.2 -71.7 -19.0 11.8 91.0 14.7 56 57 A L H <5S- 0 0 13 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.543 97.4-134.5-109.3 -12.1 15.5 91.7 15.3 57 58 A Q T <5 + 0 0 88 -4,-1.0 2,-0.4 -3,-0.4 -3,-0.2 0.893 59.6 139.6 55.9 41.8 15.3 91.5 19.1 58 59 A R < - 0 0 83 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.896 60.6 -97.8-119.8 146.3 17.4 94.6 19.2 59 60 A T >> - 0 0 83 -2,-0.4 4,-1.9 -3,-0.1 3,-1.1 -0.364 37.3-111.5 -63.4 136.5 17.0 97.6 21.5 60 61 A G H 3> S+ 0 0 40 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.817 117.8 48.8 -32.2 -54.5 15.0 100.5 20.1 61 62 A P H 3> S+ 0 0 91 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.885 110.8 51.5 -61.9 -39.3 18.1 102.8 19.9 62 63 A T H X> S+ 0 0 62 -3,-1.1 4,-2.1 2,-0.2 3,-0.6 0.977 115.6 39.7 -54.7 -61.2 20.1 100.1 18.2 63 64 A V H 3X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.767 109.9 62.3 -63.5 -26.4 17.5 99.5 15.5 64 65 A S H 3X S+ 0 0 23 -4,-2.4 4,-1.5 -5,-0.4 -1,-0.2 0.882 108.2 41.8 -64.9 -41.4 16.9 103.2 15.3 65 66 A N H S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-0.4 0.886 111.2 53.4 -59.4 -37.3 20.0 102.6 5.6 71 72 A E H ><5S+ 0 0 75 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.768 102.5 58.0 -70.2 -29.4 17.8 105.7 5.2 72 73 A R H 3<5S+ 0 0 211 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.827 107.8 46.2 -66.5 -33.9 21.0 107.8 4.8 73 74 A K T 3<5S- 0 0 70 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.242 115.7-124.1 -86.6 5.8 21.9 105.6 1.9 74 75 A K T < 5S+ 0 0 160 -3,-1.0 21,-0.4 -5,-0.1 22,-0.3 0.847 73.0 131.3 50.0 43.9 18.3 106.1 0.7 75 76 A L S - 0 0 29 -18,-1.8 4,-2.2 -2,-0.3 5,-0.2 -0.385 36.8 -94.6 -86.3 174.2 13.4 102.1 -2.2 94 95 A T H > S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 -19,-0.1 0.841 127.0 48.4 -65.5 -24.6 14.3 101.0 -5.7 95 96 A S H > S+ 0 0 49 -21,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.895 108.7 52.9 -79.3 -41.4 18.0 100.8 -4.8 96 97 A G H > S+ 0 0 0 -22,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.889 107.3 53.3 -58.1 -42.6 17.4 98.8 -1.6 97 98 A I H X S+ 0 0 57 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.913 108.1 49.8 -59.6 -43.8 15.4 96.2 -3.7 98 99 A K H X S+ 0 0 137 -4,-1.4 4,-1.2 -5,-0.2 -2,-0.2 0.927 111.5 49.9 -61.2 -46.7 18.3 95.8 -6.1 99 100 A L H >X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 3,-0.7 0.941 110.0 48.6 -55.6 -48.8 20.7 95.3 -3.2 100 101 A V H 3X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.3 -2,-0.2 0.947 109.7 52.8 -60.2 -46.0 18.5 92.7 -1.5 101 102 A E H 3< S+ 0 0 104 -4,-2.6 4,-0.3 1,-0.2 -1,-0.3 0.773 110.1 51.3 -61.4 -19.7 18.2 90.9 -4.8 102 103 A A H << S+ 0 0 45 -4,-1.2 3,-0.3 -3,-0.7 -2,-0.2 0.945 120.2 27.3 -86.7 -42.9 21.9 90.9 -5.1 103 104 A F H >X S+ 0 0 2 -4,-2.2 3,-5.3 1,-0.2 4,-0.5 0.809 96.8 89.2 -82.9 -32.1 23.0 89.5 -1.7 104 105 A T H 3X S+ 0 0 46 -4,-3.0 4,-2.3 -5,-0.4 3,-0.2 0.761 80.5 64.7 -39.5 -34.4 19.9 87.4 -1.1 105 106 A S H 3> S+ 0 0 68 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.3 0.771 91.8 63.7 -55.5 -31.5 21.7 84.6 -2.9 106 107 A I H <> S+ 0 0 19 -3,-5.3 4,-1.9 2,-0.2 -1,-0.2 0.973 108.9 38.7 -59.9 -54.5 24.2 84.5 -0.1 107 108 A F H X S+ 0 0 37 -4,-0.5 4,-3.4 -3,-0.2 -2,-0.2 0.872 115.4 51.5 -59.5 -48.8 21.6 83.5 2.4 108 109 A D H X S+ 0 0 93 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.878 109.5 51.4 -58.4 -42.0 19.7 81.2 0.0 109 110 A E H X S+ 0 0 57 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.922 114.2 43.9 -60.2 -45.6 23.0 79.4 -0.8 110 111 A X H X S+ 0 0 19 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.923 111.1 52.8 -63.9 -50.2 23.6 79.0 2.9 111 112 A E H X S+ 0 0 40 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.882 110.0 50.4 -53.5 -43.2 20.1 77.9 3.7 112 113 A Q H X S+ 0 0 119 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.952 105.0 53.7 -63.5 -56.1 20.4 75.3 1.0 113 114 A T H < S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.768 113.5 48.3 -48.9 -27.0 23.7 73.8 2.3 114 115 A L H >< S+ 0 0 1 -4,-1.5 3,-1.7 -3,-0.1 4,-0.4 0.962 112.4 42.3 -74.6 -60.7 21.9 73.5 5.6 115 116 A V H >< S+ 0 0 40 -4,-2.5 3,-0.6 1,-0.3 -2,-0.2 0.695 103.1 71.6 -64.1 -17.4 18.6 71.8 4.4 116 117 A S T 3< S+ 0 0 61 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 0.484 90.4 58.9 -82.1 0.1 20.7 69.5 2.1 117 118 A Q T < S+ 0 0 45 -3,-1.7 -1,-0.2 -5,-0.2 2,-0.2 0.674 100.6 60.5 -93.0 -25.7 22.1 67.6 5.1 118 119 A L S < S- 0 0 15 -3,-0.6 5,-0.1 -4,-0.4 2,-0.0 -0.583 89.6-103.5-102.0 166.2 18.7 66.4 6.5 119 120 A S > - 0 0 62 -2,-0.2 4,-0.8 1,-0.1 3,-0.2 -0.196 42.9 -92.2 -81.5 178.5 16.0 64.3 4.8 120 121 A E H >> S+ 0 0 189 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.945 127.4 25.9 -62.2 -54.1 12.8 65.7 3.4 121 122 A E H 3> S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.393 110.7 75.6 -90.2 9.8 10.6 65.3 6.4 122 123 A E H 3> S+ 0 0 55 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.660 95.5 49.9 -90.8 -15.9 13.8 65.5 8.6 123 124 A N H - 0 0 72 1,-0.1 4,-2.0 4,-0.0 3,-0.2 -0.472 360.0-124.4 -68.1 144.0 14.4 79.9 7.9 142 5 B Y H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.954 111.0 57.7 -49.3 -59.7 17.2 78.0 9.7 143 6 B S H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.843 107.1 48.6 -41.6 -47.8 19.4 81.1 9.6 144 7 B Y H > S+ 0 0 88 2,-0.2 4,-3.4 3,-0.2 -1,-0.2 0.973 114.5 45.0 -53.2 -58.0 16.7 83.1 11.5 145 8 B L H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.902 115.8 45.0 -56.5 -47.9 16.3 80.3 14.1 146 9 B F H X S+ 0 0 0 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.911 116.7 45.9 -66.2 -48.5 20.1 79.8 14.6 147 10 B R H X S+ 0 0 45 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.968 117.6 44.2 -50.1 -59.9 20.8 83.5 14.8 148 11 B X H X S+ 0 0 6 -4,-3.4 4,-2.3 -5,-0.2 -2,-0.2 0.848 111.2 50.7 -57.2 -49.4 17.8 84.1 17.1 149 12 B I H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.947 112.3 48.6 -54.9 -50.4 18.4 81.2 19.5 150 13 B S H X S+ 0 0 18 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.837 109.8 54.6 -58.5 -37.6 22.1 82.3 19.8 151 14 B H H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.914 106.1 48.3 -64.0 -47.8 20.8 85.8 20.5 152 15 B E H X S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.912 113.6 50.7 -61.8 -40.7 18.5 84.9 23.3 153 16 B X H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.933 110.8 44.5 -62.2 -52.0 21.4 82.9 24.8 154 17 B K H X S+ 0 0 79 -4,-2.7 4,-3.7 1,-0.2 5,-0.2 0.925 115.0 50.8 -59.3 -40.5 24.1 85.7 24.6 155 18 B Q H X S+ 0 0 83 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.913 111.4 44.8 -65.8 -52.8 21.6 88.2 26.0 156 19 B K H X S+ 0 0 70 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.928 118.7 45.6 -55.7 -47.1 20.5 86.1 29.0 157 20 B A H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.948 109.4 53.7 -55.8 -53.0 24.2 85.3 29.6 158 21 B D H X S+ 0 0 66 -4,-3.7 4,-0.7 1,-0.2 -1,-0.2 0.822 107.8 52.4 -53.4 -40.0 25.5 88.8 29.2 159 22 B Q H >< S+ 0 0 72 -4,-1.7 3,-0.7 -5,-0.2 4,-0.3 0.967 115.2 37.7 -61.5 -58.0 23.0 90.1 31.8 160 23 B K H 3< S+ 0 0 98 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.699 114.5 54.0 -70.0 -23.0 23.9 87.6 34.5 161 24 B L H ><>S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.2 5,-0.9 0.585 83.6 86.2 -86.9 -13.0 27.7 87.7 33.8 162 25 B E G X<5S+ 0 0 71 -3,-0.7 3,-1.1 -4,-0.7 -1,-0.2 0.839 83.3 61.2 -53.2 -36.8 27.9 91.4 34.1 163 26 B Q G 3 5S+ 0 0 148 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.632 101.6 51.8 -66.3 -13.8 28.3 90.9 37.9 164 27 B F G < 5S- 0 0 54 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.413 104.9-123.1-104.5 1.1 31.5 88.9 37.4 165 28 B D T < 5S+ 0 0 125 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.1 0.855 74.2 112.3 57.6 39.1 33.4 91.4 35.2 166 29 B I < - 0 0 15 -5,-0.9 -1,-0.2 -8,-0.1 2,-0.2 -0.893 62.8-119.5-128.2 167.5 33.9 88.9 32.4 167 30 B T > - 0 0 78 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.626 29.8-105.2-104.5 165.8 32.4 88.7 28.9 168 31 B N H > S+ 0 0 9 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.903 121.6 50.8 -50.6 -46.2 30.3 86.0 27.3 169 32 B E H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 110.6 47.3 -62.8 -44.3 33.4 84.8 25.3 170 33 B Q H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.892 109.0 56.5 -63.1 -38.7 35.6 84.5 28.4 171 34 B G H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.937 108.0 46.5 -57.3 -49.4 32.8 82.7 30.2 172 35 B H H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.840 111.7 52.7 -64.7 -32.6 32.7 80.1 27.5 173 36 B T H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.955 108.6 47.0 -66.3 -53.9 36.5 79.8 27.6 174 37 B L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.860 111.2 55.8 -52.7 -36.8 36.7 79.2 31.3 175 38 B G H X S+ 0 0 21 -4,-1.9 4,-3.5 -5,-0.3 5,-0.2 0.961 108.0 45.3 -61.5 -53.2 33.9 76.7 30.8 176 39 B Y H X S+ 0 0 30 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.878 115.9 47.5 -58.0 -42.8 35.9 74.7 28.3 177 40 B L H < S+ 0 0 4 -4,-2.7 4,-0.2 2,-0.2 -2,-0.2 0.943 116.4 43.5 -63.8 -45.0 39.0 74.9 30.5 178 41 B Y H >< S+ 0 0 77 -4,-3.2 3,-0.6 -5,-0.2 -2,-0.2 0.918 118.9 44.8 -65.0 -45.2 37.0 73.9 33.5 179 42 B A H 3< S+ 0 0 51 -4,-3.5 3,-0.3 1,-0.2 -2,-0.2 0.897 123.2 30.7 -66.6 -43.3 35.2 71.2 31.6 180 43 B H T 3< S+ 0 0 71 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.067 90.4 114.4-107.9 15.1 37.9 69.5 29.7 181 44 B Q < + 0 0 81 -3,-0.6 -1,-0.2 -4,-0.2 4,-0.1 0.685 58.2 69.9 -62.9 -31.3 40.7 70.3 32.5 182 45 B Q S S+ 0 0 154 -3,-0.3 -1,-0.2 -4,-0.2 2,-0.2 0.879 107.8 50.3 -54.6 -37.4 41.6 66.7 33.7 183 46 B D S S- 0 0 110 -3,-0.5 2,-0.5 1,-0.0 -3,-0.0 -0.559 110.1-101.6 -77.4 167.6 43.1 66.7 30.2 184 47 B G - 0 0 58 -2,-0.2 2,-0.5 45,-0.0 -3,-0.1 -0.759 29.0-150.9-106.5 133.3 45.3 69.5 29.2 185 48 B L E -C 228 0B 25 43,-0.6 43,-2.2 -2,-0.5 2,-0.1 -0.828 10.4-147.7-105.8 125.1 44.1 72.4 27.0 186 49 B T E > -C 227 0B 8 -2,-0.5 4,-1.6 41,-0.2 41,-0.2 -0.375 27.3-113.2 -82.9 159.0 46.4 74.3 24.6 187 50 B Q H > S+ 0 0 19 39,-1.6 4,-1.8 1,-0.2 5,-0.1 0.879 121.8 50.4 -57.4 -38.6 46.2 78.0 23.5 188 51 B N H > S+ 0 0 79 1,-0.2 4,-2.4 38,-0.2 -1,-0.2 0.814 103.1 58.1 -73.1 -26.7 45.5 76.6 20.0 189 52 B D H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.856 108.2 47.1 -68.8 -35.3 42.7 74.4 21.3 190 53 B I H X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 6,-0.3 0.888 110.2 52.6 -66.8 -43.4 41.0 77.5 22.7 191 54 B A H X S+ 0 0 21 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.922 112.7 44.1 -57.3 -43.5 41.5 79.3 19.4 192 55 B K H < S+ 0 0 144 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.840 110.2 59.0 -70.3 -35.9 39.9 76.4 17.5 193 56 B A H < S+ 0 0 19 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.762 118.5 23.8 -65.8 -34.5 37.2 76.2 20.1 194 57 B L H < S- 0 0 0 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.769 94.8-138.0 -82.4 -26.5 35.8 79.8 19.7 195 58 B Q < + 0 0 81 -4,-0.7 -3,-0.1 -3,-0.3 -4,-0.1 -0.008 45.9 156.2 -94.0 84.0 37.0 79.9 16.9 196 59 B R - 0 0 76 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.123 51.2 -83.2 -70.9 160.9 38.2 83.4 17.3 197 60 B T > - 0 0 74 -3,-0.1 4,-1.9 1,-0.1 -1,-0.1 -0.214 45.0-104.3 -72.1 159.0 41.0 84.9 15.3 198 61 B G H > S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.864 117.4 41.5 -46.8 -56.0 44.7 84.2 16.4 199 62 B P H > S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.931 112.3 58.8 -58.5 -48.4 45.6 87.6 18.0 200 63 B T H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.870 103.2 48.9 -46.9 -54.4 42.2 87.8 19.7 201 64 B V H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.893 112.4 48.0 -60.6 -40.1 42.5 84.5 21.6 202 65 B S H X S+ 0 0 49 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.903 113.6 49.8 -65.0 -38.6 45.9 85.5 22.9 203 66 B N H X S+ 0 0 110 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.889 110.6 48.5 -64.3 -42.8 44.4 88.8 23.8 204 67 B L H X S+ 0 0 18 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.893 113.3 48.0 -62.2 -45.0 41.4 87.2 25.6 205 68 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.869 106.1 55.8 -64.5 -42.2 43.8 84.9 27.5 206 69 B R H X S+ 0 0 28 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.930 108.2 50.6 -61.1 -41.8 46.1 87.7 28.6 207 70 B N H X S+ 0 0 33 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.908 111.1 46.7 -55.4 -53.2 43.1 89.5 30.1 208 71 B L H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 6,-0.6 0.809 113.1 49.2 -61.6 -32.5 42.0 86.4 32.0 209 72 B E H ><5S+ 0 0 68 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.879 108.0 53.2 -77.7 -37.2 45.5 85.8 33.3 210 73 B R H 3<5S+ 0 0 171 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.818 106.9 53.9 -61.6 -31.1 45.7 89.5 34.3 211 74 B K T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.472 116.5-124.1 -78.0 -2.8 42.5 88.7 36.2 212 75 B K T < 5S+ 0 0 162 -3,-1.6 22,-0.4 2,-0.2 21,-0.3 0.620 78.8 120.0 64.7 17.0 44.4 85.8 37.8 213 76 B L S - 0 0 76 3,-0.1 3,-1.5 1,-0.1 -1,-0.2 -0.879 64.4-164.6-124.5 99.8 56.9 70.7 22.2 223 86 B T T 3 S+ 0 0 89 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.0 0.595 83.6 65.1 -57.0 -10.7 58.2 74.3 22.6 224 87 B R T 3 S+ 0 0 82 -6,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.735 92.1 58.4 -97.7 -20.1 55.6 75.5 20.2 225 88 B R < - 0 0 83 -3,-1.5 -6,-1.2 -6,-0.1 2,-0.4 -0.842 69.0-153.4-106.5 149.9 52.3 74.9 22.1 226 89 B K E - D 0 218B 85 -2,-0.4 -39,-1.6 -8,-0.2 -8,-0.3 -0.942 13.5-122.4-124.8 148.7 51.6 76.4 25.5 227 90 B N E -CD 186 217B 12 -10,-4.6 -10,-2.7 -2,-0.4 2,-0.4 -0.569 14.5-150.8 -99.5 149.0 49.4 75.1 28.2 228 91 B I E +CD 185 216B 12 -43,-2.2 -43,-0.6 -2,-0.2 2,-0.4 -0.886 16.2 179.6-118.3 139.2 46.5 76.7 29.9 229 92 B G E - D 0 215B 7 -14,-3.0 -14,-3.5 -2,-0.4 2,-0.2 -1.000 27.1-120.7-147.6 141.2 45.3 76.1 33.4 230 93 B L E - D 0 214B 11 -2,-0.4 -16,-0.3 -16,-0.3 2,-0.2 -0.577 26.0-140.5 -68.4 136.8 42.6 77.2 35.7 231 94 B T > - 0 0 48 -18,-1.8 4,-2.4 -2,-0.2 5,-0.1 -0.478 31.0-105.4 -85.0 166.3 43.8 78.8 39.0 232 95 B T H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 128.2 53.8 -61.5 -37.1 41.8 77.9 42.1 233 96 B S H > S+ 0 0 54 -21,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.933 109.8 48.4 -52.0 -51.8 40.4 81.5 41.8 234 97 B G H > S+ 0 0 0 -22,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.837 109.1 51.7 -57.7 -43.3 39.4 80.5 38.3 235 98 B I H X S+ 0 0 40 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.950 110.9 47.1 -61.9 -47.5 37.8 77.2 39.3 236 99 B K H X S+ 0 0 145 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.853 110.1 54.2 -60.9 -42.2 35.7 78.9 42.0 237 100 B L H X S+ 0 0 29 -4,-2.1 4,-1.9 -5,-0.2 3,-0.3 0.945 109.7 45.9 -59.3 -52.0 34.6 81.6 39.5 238 101 B V H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 3,-0.3 0.948 110.2 53.8 -56.6 -48.7 33.4 79.0 36.9 239 102 B E H < S+ 0 0 109 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.821 109.2 52.4 -53.5 -31.8 31.6 77.1 39.7 240 103 B A H < S+ 0 0 48 -4,-1.5 -1,-0.2 -3,-0.3 3,-0.2 0.902 118.8 30.7 -72.6 -41.0 29.9 80.4 40.5 241 104 B F H >X S+ 0 0 4 -4,-1.9 3,-2.3 -3,-0.3 4,-0.8 0.691 93.7 87.8 -96.7 -19.8 28.6 81.2 37.1 242 105 B T H 3X S+ 0 0 36 -4,-2.9 4,-2.8 1,-0.3 5,-0.2 0.844 78.0 70.7 -46.9 -37.1 28.0 77.7 35.6 243 106 B S H 3> S+ 0 0 78 -4,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.828 93.6 55.8 -53.6 -31.9 24.5 77.8 37.1 244 107 B I H <> S+ 0 0 15 -3,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.979 112.3 39.8 -64.9 -56.5 23.6 80.5 34.5 245 108 B F H X S+ 0 0 24 -4,-0.8 4,-3.1 1,-0.2 -2,-0.2 0.852 116.2 51.3 -60.2 -40.0 24.5 78.4 31.5 246 109 B D H X S+ 0 0 85 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.920 104.4 54.2 -64.6 -50.1 23.2 75.1 33.0 247 110 B E H X S+ 0 0 135 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.892 116.9 41.9 -51.1 -33.4 19.8 76.5 33.8 248 111 B X H X S+ 0 0 13 -4,-1.4 4,-0.8 -5,-0.2 -2,-0.2 0.940 111.3 50.9 -78.5 -51.2 19.7 77.5 30.1 249 112 B E H X S+ 0 0 27 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.846 113.4 50.4 -58.2 -34.4 21.2 74.3 28.5 250 113 B Q H X S+ 0 0 115 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.931 101.3 55.4 -69.2 -56.7 18.7 72.3 30.5 251 114 B T H < S+ 0 0 57 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.640 110.0 54.1 -56.7 -11.5 15.5 74.1 29.6 252 115 B L H >< S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.2 4,-0.5 0.914 108.2 42.7 -86.2 -53.3 16.6 73.4 26.1 253 116 B V H >< S+ 0 0 33 -4,-1.8 3,-1.1 1,-0.3 -2,-0.2 0.853 106.3 68.7 -59.0 -33.7 17.0 69.6 26.4 254 117 B S T 3< S+ 0 0 80 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.799 91.2 61.7 -42.1 -38.9 13.7 69.8 28.4 255 118 B Q T < S+ 0 0 45 -3,-1.4 2,-0.5 -4,-0.3 -1,-0.2 0.670 99.4 55.4 -77.5 -23.7 11.9 70.7 25.2 256 119 B L S < S- 0 0 2 -3,-1.1 5,-0.2 -4,-0.5 -1,-0.1 -0.961 91.6-111.1-114.9 127.0 12.6 67.5 23.2 257 120 B S >> - 0 0 51 -2,-0.5 4,-1.6 1,-0.1 3,-1.3 -0.268 43.4 -99.8 -50.6 142.8 11.8 64.0 24.5 258 121 B E H 3> S+ 0 0 164 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.642 124.2 50.3 -46.2 -26.7 15.0 62.1 25.3 259 122 B E H 3> S+ 0 0 69 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.917 110.4 49.8 -75.9 -46.8 14.9 60.2 22.0 260 123 B E H <> S+ 0 0 69 -3,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.781 104.5 61.1 -58.1 -32.3 14.5 63.4 20.0 261 124 B N H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.957 103.9 45.5 -63.0 -52.6 17.4 65.0 21.9 262 125 B E H X S+ 0 0 152 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.928 113.2 51.4 -55.4 -48.8 20.1 62.6 20.8 263 126 B Q H X S+ 0 0 85 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.857 110.6 51.2 -54.7 -37.6 18.7 62.8 17.2 264 127 B X H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.893 106.3 49.9 -73.2 -42.5 19.0 66.6 17.5 265 128 B K H X S+ 0 0 60 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.791 112.1 52.4 -66.1 -31.7 22.6 66.8 18.7 266 129 B A H X S+ 0 0 51 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.943 112.2 41.8 -69.3 -49.0 23.4 64.5 15.8 267 130 B N H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.885 113.3 54.7 -63.5 -37.4 21.7 66.6 13.1 268 131 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.889 108.2 48.1 -63.3 -46.0 23.1 69.8 14.7 269 132 B T H X S+ 0 0 64 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.893 109.5 54.0 -60.6 -41.2 26.7 68.5 14.5 270 133 B K H X S+ 0 0 112 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.920 110.7 46.2 -58.9 -45.7 26.1 67.5 10.9 271 134 B X H >X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.5 0.914 109.5 52.6 -64.3 -44.7 25.0 71.0 10.1 272 135 B L H 3X S+ 0 0 9 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.856 103.9 60.2 -61.6 -31.2 27.9 72.7 11.9 273 136 B S H 3< S+ 0 0 76 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 103.9 49.5 -60.4 -43.4 30.2 70.4 9.9 274 137 B S H << S+ 0 0 32 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.933 106.7 52.3 -66.1 -48.7 29.0 71.9 6.6 275 138 B L H < 0 0 5 -4,-1.6 -1,-0.2 -162,-0.0 -2,-0.2 0.805 360.0 360.0 -60.5 -31.0 29.3 75.6 7.4 276 139 B Q < 0 0 109 -4,-1.3 -265,-0.0 -3,-0.0 -261,-0.0 -0.459 360.0 360.0 -67.2 360.0 32.9 75.0 8.5