==== 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 4L9V . COMPND 2 MOLECULE: MEPR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR I.BIRUKOU,R.G.BRENNAN . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 74.8 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 . 8 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 . 1 0.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 0 0 2 0 0 0 0 1 0 0 0 1 1 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 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 213 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.6 41.9 30.7 14.4 2 2 A E - 0 0 187 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.894 360.0-158.8-110.8 131.3 40.0 29.2 11.4 3 3 A F - 0 0 89 -2,-0.5 2,-0.1 1,-0.1 3,-0.0 -0.692 25.1-104.5-102.9 157.9 39.8 25.5 10.7 4 4 A T > - 0 0 92 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.417 25.4-119.5 -74.4 156.0 39.0 23.9 7.3 5 5 A Y H > S+ 0 0 151 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.885 114.9 60.4 -58.6 -40.3 35.6 22.2 6.8 6 6 A S H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 107.2 44.0 -53.5 -50.5 37.5 19.0 6.2 7 7 A Y H > S+ 0 0 103 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.954 116.0 46.1 -59.3 -53.7 38.9 19.1 9.7 8 8 A L H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.909 115.4 45.5 -58.9 -47.1 35.7 20.1 11.4 9 9 A F H X S+ 0 0 77 -4,-3.3 4,-3.0 2,-0.2 -1,-0.2 0.917 113.8 49.7 -64.0 -43.4 33.6 17.6 9.6 10 10 A R H X S+ 0 0 50 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.910 111.7 48.3 -62.3 -44.8 36.1 14.8 10.2 11 11 A X H X S+ 0 0 87 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.939 114.8 44.9 -60.1 -48.5 36.3 15.6 13.9 12 12 A I H X S+ 0 0 88 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.937 114.2 49.1 -61.7 -48.0 32.5 15.7 14.3 13 13 A S H X S+ 0 0 69 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.831 113.6 46.7 -60.4 -36.2 32.1 12.5 12.2 14 14 A H H X S+ 0 0 90 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.883 111.3 50.7 -75.1 -39.7 34.8 10.7 14.3 15 15 A E H X S+ 0 0 107 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.892 116.0 41.9 -63.6 -40.3 33.4 11.9 17.6 16 16 A X H X S+ 0 0 67 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.894 113.7 50.5 -76.3 -41.6 29.9 10.7 16.7 17 17 A K H X S+ 0 0 135 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.881 111.3 49.1 -64.0 -39.6 30.9 7.4 15.1 18 18 A Q H X S+ 0 0 113 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.887 112.3 49.0 -65.8 -38.7 33.0 6.5 18.2 19 19 A K H X S+ 0 0 94 -4,-1.4 4,-1.2 -5,-0.2 -2,-0.2 0.939 114.9 43.8 -64.9 -49.0 30.1 7.3 20.4 20 20 A A H >X S+ 0 0 9 -4,-2.8 4,-2.6 2,-0.2 3,-0.6 0.948 115.9 47.1 -60.6 -51.8 27.7 5.2 18.3 21 21 A D H 3X S+ 0 0 63 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.894 108.0 56.2 -58.0 -43.2 30.1 2.3 18.0 22 22 A Q H 3< S+ 0 0 54 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.818 114.3 40.5 -59.4 -31.0 30.9 2.4 21.7 23 23 A K H S+ 0 0 14 -4,-2.6 5,-1.2 1,-0.2 4,-0.9 0.895 103.2 57.5 -61.2 -41.4 26.4 -0.6 19.7 25 25 A E H <5S+ 0 0 158 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.843 104.4 53.3 -55.1 -35.5 29.1 -2.9 21.2 26 26 A Q H 45S+ 0 0 140 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 107.8 48.6 -69.8 -36.2 27.2 -2.7 24.4 27 27 A L H <5S- 0 0 43 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.577 102.3-137.2 -80.1 -11.1 24.0 -3.8 22.8 28 28 A D T <5 + 0 0 83 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.834 64.1 111.7 56.2 36.7 25.8 -6.7 21.1 29 29 A I < - 0 0 16 -5,-1.2 -1,-0.2 4,-0.0 -2,-0.2 -0.965 60.0-128.6-135.1 156.4 24.1 -6.1 17.8 30 30 A T > - 0 0 65 -2,-0.3 4,-1.7 -3,-0.1 5,-0.0 -0.255 31.6-107.1 -87.9-179.6 25.1 -4.9 14.3 31 31 A N H > S+ 0 0 91 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.761 123.8 54.7 -75.7 -27.9 23.5 -2.2 12.2 32 32 A E H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.927 111.9 41.4 -68.3 -47.2 22.2 -5.0 10.1 33 33 A Q H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.879 116.1 52.2 -66.1 -38.4 20.5 -6.7 13.1 34 34 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.941 111.5 43.7 -62.5 -50.3 19.4 -3.2 14.3 35 35 A H H X S+ 0 0 55 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.815 114.1 53.1 -65.9 -31.4 17.8 -2.3 11.0 36 36 A T H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.963 112.4 41.7 -66.4 -54.9 16.2 -5.7 10.8 37 37 A L H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.846 114.3 56.6 -59.0 -33.9 14.7 -5.5 14.2 38 38 A G H X S+ 0 0 20 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.921 103.4 50.3 -64.6 -47.2 13.8 -1.9 13.3 39 39 A Y H X S+ 0 0 55 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.847 113.4 47.9 -59.8 -35.4 11.9 -3.0 10.2 40 40 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.942 109.9 51.5 -67.9 -49.0 10.0 -5.4 12.4 41 41 A Y H < S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.853 118.5 39.3 -53.4 -37.6 9.4 -2.8 15.0 42 42 A A H < S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.872 131.1 20.0 -82.8 -40.2 8.0 -0.5 12.3 43 43 A H H >< S+ 0 0 81 -4,-2.5 3,-1.4 -5,-0.2 4,-0.3 0.238 82.8 105.2-124.7 13.2 6.0 -2.9 10.1 44 44 A Q G >< S+ 0 0 51 -4,-2.2 3,-1.2 1,-0.3 4,-0.4 0.707 74.6 71.5 -69.7 -18.4 5.2 -6.1 12.1 45 45 A Q G 3 S+ 0 0 95 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.793 90.1 61.2 -62.4 -28.3 1.7 -4.8 12.4 46 46 A D G < S- 0 0 117 -3,-1.4 -1,-0.2 1,-0.0 -2,-0.2 0.660 121.9-105.9 -72.8 -17.7 1.4 -5.6 8.7 47 47 A G < - 0 0 17 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.1 0.896 41.7-146.5 86.3 84.3 2.1 -9.3 9.4 48 48 A L B -A 91 0A 4 43,-0.5 43,-2.6 -4,-0.4 2,-0.2 -0.624 16.4-171.8 -94.2 138.3 5.6 -10.1 8.3 49 49 A T > - 0 0 46 -2,-0.3 4,-1.8 41,-0.2 5,-0.2 -0.611 43.9 -99.4-108.6 176.9 7.0 -13.3 6.8 50 50 A Q H > S+ 0 0 83 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.860 124.6 55.2 -64.7 -34.9 10.6 -14.2 6.1 51 51 A N H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 105.3 51.4 -64.4 -40.6 10.0 -13.3 2.4 52 52 A D H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.924 111.3 47.4 -63.1 -45.5 8.8 -9.8 3.4 53 53 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.885 111.4 51.8 -61.8 -40.6 11.9 -9.3 5.5 54 54 A A H X>S+ 0 0 23 -4,-2.2 5,-1.2 1,-0.2 4,-1.0 0.915 109.6 48.3 -63.5 -44.1 14.1 -10.5 2.7 55 55 A K H <5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.1 45.3 -65.6 -30.0 12.5 -8.2 0.1 56 56 A A H <5S+ 0 0 48 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.836 115.1 44.2 -83.2 -35.1 12.9 -5.3 2.6 57 57 A L H <5S- 0 0 37 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.520 98.5-130.0 -90.7 -6.8 16.5 -6.0 3.6 58 58 A Q T <5 + 0 0 95 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.903 64.7 131.2 56.0 43.9 17.8 -6.7 0.1 59 59 A R < - 0 0 134 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.868 56.9-104.9-126.6 159.4 19.4 -9.9 1.5 60 60 A T > - 0 0 104 -2,-0.3 4,-2.8 -3,-0.1 5,-0.3 -0.152 38.5 -93.4 -81.9 176.3 19.4 -13.6 0.3 61 61 A G H > S+ 0 0 31 2,-0.2 4,-3.5 1,-0.2 5,-0.1 0.958 116.5 28.1 -55.5 -80.3 17.5 -16.6 1.7 62 62 A P H > S+ 0 0 92 0, 0.0 4,-4.0 0, 0.0 5,-0.2 0.755 119.7 59.0 -56.3 -29.0 19.7 -18.4 4.2 63 63 A T H > S+ 0 0 47 2,-0.2 4,-2.5 3,-0.2 -2,-0.2 0.956 112.4 38.5 -64.8 -49.8 21.5 -15.1 5.0 64 64 A V H X S+ 0 0 1 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.937 118.9 50.5 -58.3 -46.6 18.1 -13.7 6.0 65 65 A S H X S+ 0 0 27 -4,-3.5 4,-3.4 -5,-0.3 -2,-0.2 0.886 111.0 46.9 -61.2 -42.3 17.3 -17.0 7.6 66 66 A N H X S+ 0 0 83 -4,-4.0 4,-2.3 2,-0.2 -1,-0.2 0.892 113.6 49.5 -63.6 -41.0 20.6 -17.1 9.5 67 67 A L H X S+ 0 0 32 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.918 116.4 42.0 -62.7 -44.3 19.9 -13.5 10.6 68 68 A L H X S+ 0 0 9 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.906 113.1 52.1 -68.7 -44.6 16.4 -14.5 11.7 69 69 A R H X S+ 0 0 131 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.870 111.1 48.6 -61.2 -38.0 17.6 -17.8 13.3 70 70 A N H X S+ 0 0 52 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.909 111.4 49.5 -67.4 -42.6 20.2 -15.9 15.3 71 71 A L H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 6,-0.8 0.852 112.6 47.0 -66.1 -35.6 17.6 -13.3 16.4 72 72 A E H ><5S+ 0 0 71 -4,-2.4 3,-1.6 4,-0.2 -1,-0.2 0.846 107.7 56.4 -74.8 -33.9 15.2 -16.0 17.5 73 73 A R H 3<5S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.835 105.4 52.3 -63.2 -32.8 17.9 -17.9 19.3 74 74 A K T 3<5S- 0 0 59 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.277 116.3-119.3 -86.1 10.9 18.6 -14.7 21.3 75 75 A K T < 5S+ 0 0 57 -3,-1.6 21,-0.3 2,-0.1 22,-0.3 0.771 81.1 123.3 53.8 31.2 14.9 -14.6 22.1 76 76 A L S - 0 0 19 3,-0.1 3,-2.1 1,-0.1 -3,-0.5 -0.797 64.5-169.9-140.7 94.4 -5.5 -16.2 8.8 86 86 A T T 3 S+ 0 0 103 -3,-0.4 -4,-0.1 -2,-0.3 -1,-0.1 0.750 81.4 72.9 -52.2 -30.3 -4.8 -18.9 11.4 87 87 A R T 3 S+ 0 0 213 -6,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.669 95.9 60.0 -64.1 -15.9 -3.2 -21.1 8.7 88 88 A R S < S- 0 0 123 -3,-2.1 -6,-2.7 -6,-0.2 2,-0.4 -0.810 70.3-139.4-120.4 156.9 -0.1 -18.9 8.6 89 89 A K E - B 0 81A 116 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.895 14.5-162.3-114.0 141.3 2.6 -17.8 10.9 90 90 A N E - B 0 80A 4 -10,-3.5 -10,-2.6 -2,-0.4 2,-0.5 -0.774 20.4-117.0-115.2 164.6 4.2 -14.3 11.2 91 91 A I E +AB 48 79A 11 -43,-2.6 -43,-0.5 -2,-0.3 2,-0.3 -0.873 39.7 168.2-101.8 131.6 7.4 -13.0 12.7 92 92 A G E - B 0 78A 0 -14,-2.9 -14,-2.6 -2,-0.5 2,-0.2 -0.908 34.7 -94.3-139.5 167.4 7.2 -10.5 15.5 93 93 A L E - B 0 77A 8 -2,-0.3 -16,-0.3 -16,-0.2 2,-0.1 -0.552 30.9-137.6 -82.1 144.2 9.3 -8.8 18.2 94 94 A T > - 0 0 30 -18,-2.1 4,-2.1 -2,-0.2 5,-0.2 -0.343 35.7 -98.1 -82.5 176.3 9.5 -10.1 21.8 95 95 A T H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 131.5 46.5 -61.7 -42.3 9.4 -7.8 24.8 96 96 A S H > S+ 0 0 55 -21,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.774 108.8 57.5 -69.5 -26.1 13.2 -7.9 24.8 97 97 A G H > S+ 0 0 0 -22,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.883 107.2 46.7 -69.4 -39.8 13.1 -7.4 21.1 98 98 A I H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.912 110.6 51.3 -68.3 -44.9 11.2 -4.1 21.5 99 99 A K H X S+ 0 0 135 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.821 108.1 55.1 -62.7 -30.3 13.4 -2.8 24.3 100 100 A L H X S+ 0 0 25 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.940 108.6 43.7 -70.5 -48.5 16.5 -3.5 22.1 101 101 A V H X S+ 0 0 2 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.874 113.3 53.2 -65.7 -36.6 15.4 -1.5 19.0 102 102 A E H X S+ 0 0 88 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.921 112.6 43.5 -63.4 -44.1 14.2 1.4 21.3 103 103 A A H X S+ 0 0 35 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.917 114.2 51.3 -63.6 -44.5 17.7 1.4 23.0 104 104 A F H X S+ 0 0 27 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.900 114.0 44.6 -55.7 -43.5 19.2 1.1 19.5 105 105 A T H X S+ 0 0 69 -4,-3.1 4,-1.9 1,-0.2 3,-0.3 0.883 106.8 58.2 -71.4 -41.0 17.1 4.1 18.4 106 106 A S H X S+ 0 0 41 -4,-2.7 4,-3.6 1,-0.2 5,-0.4 0.845 98.6 61.2 -59.6 -36.5 17.7 6.2 21.5 107 107 A I H X S+ 0 0 11 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.916 113.3 34.6 -56.8 -47.3 21.5 6.1 20.8 108 108 A F H X S+ 0 0 88 -4,-0.9 4,-1.2 -3,-0.3 -1,-0.2 0.743 119.4 53.8 -80.0 -23.0 21.1 7.8 17.5 109 109 A D H X S+ 0 0 100 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.890 108.0 46.1 -79.1 -41.6 18.2 9.9 18.8 110 110 A E H X S+ 0 0 114 -4,-3.6 4,-2.3 2,-0.2 -2,-0.2 0.834 111.8 53.6 -69.7 -31.5 20.0 11.4 21.8 111 111 A X H X S+ 0 0 31 -4,-1.0 4,-1.1 -5,-0.4 -1,-0.2 0.878 111.5 45.6 -68.9 -39.2 23.0 12.1 19.6 112 112 A E H X S+ 0 0 81 -4,-1.2 4,-3.0 2,-0.2 3,-0.4 0.944 112.6 50.2 -67.1 -48.9 20.8 14.0 17.2 113 113 A Q H X S+ 0 0 45 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.892 104.5 57.5 -57.8 -45.2 18.9 15.9 20.0 114 114 A T H < S+ 0 0 83 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.875 114.8 39.1 -52.5 -40.9 22.2 17.0 21.7 115 115 A L H >< S+ 0 0 78 -4,-1.1 3,-1.4 -3,-0.4 4,-0.5 0.924 112.7 53.8 -77.4 -46.4 23.1 18.6 18.4 116 116 A V H >< S+ 0 0 54 -4,-3.0 3,-1.2 1,-0.3 -2,-0.2 0.855 101.1 63.3 -56.5 -36.4 19.7 20.0 17.5 117 117 A S T 3< S+ 0 0 92 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.756 91.6 65.4 -59.5 -28.0 19.5 21.7 20.9 118 118 A Q T < S+ 0 0 129 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.723 103.2 46.1 -71.9 -23.0 22.5 23.9 20.1 119 119 A L S < S- 0 0 49 -3,-1.2 2,-0.0 -4,-0.5 0, 0.0 -0.774 85.3-105.5-121.0 162.9 20.7 25.8 17.3 120 120 A S > - 0 0 50 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.238 43.6 -97.6 -76.0 173.3 17.3 27.5 16.7 121 121 A E H > S+ 0 0 180 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.844 128.2 41.1 -62.9 -34.5 14.6 25.9 14.5 122 122 A E H > S+ 0 0 146 2,-0.2 4,-3.0 3,-0.2 -1,-0.2 0.820 113.0 53.6 -81.7 -33.1 15.7 28.1 11.6 123 123 A E H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.917 111.4 46.3 -66.7 -43.2 19.4 27.7 12.4 124 124 A N H X S+ 0 0 29 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.927 114.5 47.9 -58.8 -47.7 18.9 23.9 12.3 125 125 A E H X S+ 0 0 62 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.915 114.3 45.6 -61.7 -46.0 16.9 24.2 9.1 126 126 A Q H X S+ 0 0 113 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.893 112.0 53.5 -63.3 -42.3 19.5 26.4 7.5 127 127 A X H X S+ 0 0 83 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.956 110.3 44.1 -57.2 -56.0 22.3 24.2 8.6 128 128 A K H X S+ 0 0 109 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.893 112.2 53.3 -61.2 -41.6 20.9 21.0 7.1 129 129 A A H X S+ 0 0 54 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.900 113.5 44.6 -56.8 -41.8 20.0 22.8 3.9 130 130 A N H X S+ 0 0 71 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.892 111.3 50.5 -72.2 -41.7 23.6 23.9 3.7 131 131 A L H X S+ 0 0 71 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.872 111.4 51.7 -61.3 -36.3 25.2 20.6 4.6 132 132 A T H X S+ 0 0 89 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.936 108.9 48.6 -65.8 -47.5 23.0 19.1 1.9 133 133 A K H X S+ 0 0 164 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.899 113.2 47.6 -59.2 -43.6 24.2 21.6 -0.7 134 134 A X H X S+ 0 0 61 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.908 111.9 48.7 -66.5 -44.0 27.8 21.0 0.2 135 135 A L H X S+ 0 0 119 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.877 107.4 57.1 -63.0 -38.2 27.5 17.2 0.1 136 136 A S H < S+ 0 0 85 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.875 105.5 49.8 -62.3 -38.7 25.7 17.4 -3.2 137 137 A S H < S+ 0 0 75 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 107.3 54.4 -67.3 -36.9 28.7 19.3 -4.8 138 138 A L H < 0 0 133 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.730 360.0 360.0 -66.6 -22.6 31.0 16.6 -3.4 139 139 A Q < 0 0 207 -4,-1.1 -1,-0.1 -3,-0.3 -3,-0.1 0.223 360.0 360.0 55.7 360.0 28.8 14.1 -5.2