==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-07 2OPN . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHETASE (FPP SYNTHETASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.CAO,Y.G.GAO,H.ROBINSON,A.GODDARD,E.OLDFIELD . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 82.1 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 . 2 0.6 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 0.3 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 . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.0 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 3 0 0 0 1 0 1 3 0 0 1 2 0 0 0 1 0 0 0 1 0 1 0 0 1 1 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 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 27 A E >> 0 0 97 0, 0.0 4,-1.6 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 -54.2 -7.1 77.3 13.1 2 28 A K H 3> + 0 0 77 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.839 360.0 54.5 -50.5 -36.6 -3.4 76.4 12.9 3 29 A Q H 3> S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.751 102.9 53.4 -76.1 -26.5 -3.8 75.5 9.2 4 30 A D H <> S+ 0 0 97 -3,-1.1 4,-0.8 2,-0.2 -1,-0.2 0.850 110.5 48.9 -76.3 -34.8 -5.3 78.9 8.2 5 31 A F H >X S+ 0 0 6 -4,-1.6 3,-1.6 2,-0.2 4,-0.7 0.964 109.1 49.7 -64.0 -58.3 -2.3 80.7 9.8 6 32 A V H >< S+ 0 0 53 -4,-2.1 3,-0.9 1,-0.3 4,-0.4 0.827 104.4 62.1 -54.2 -31.2 0.3 78.5 8.1 7 33 A Q H >< S+ 0 0 124 -4,-1.0 3,-0.7 1,-0.2 4,-0.4 0.843 100.0 54.0 -62.2 -33.1 -1.5 79.2 4.9 8 34 A H H XX S+ 0 0 60 -3,-1.6 4,-1.6 -4,-0.8 3,-0.6 0.629 82.7 86.7 -79.7 -12.9 -0.8 82.9 5.2 9 35 A F H S+ 0 0 61 -3,-0.7 4,-2.0 -4,-0.4 -1,-0.2 0.893 102.2 52.0 -58.0 -44.1 3.3 82.5 1.9 11 37 A Q H <> S+ 0 0 30 -3,-0.6 4,-1.1 -4,-0.4 -1,-0.2 0.877 110.8 48.1 -62.6 -38.7 1.8 86.0 1.7 12 38 A I H X S+ 0 0 4 -4,-1.6 4,-2.0 2,-0.2 3,-0.3 0.919 109.9 50.5 -71.4 -40.9 4.2 87.3 4.3 13 39 A V H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.896 110.3 51.8 -62.6 -34.9 7.3 85.7 2.5 14 40 A R H < S+ 0 0 171 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.758 108.8 50.0 -73.4 -23.3 6.1 87.3 -0.7 15 41 A V H < S+ 0 0 30 -4,-1.1 4,-0.4 -3,-0.3 -1,-0.2 0.861 114.5 45.3 -78.5 -33.9 5.8 90.7 1.0 16 42 A L H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.747 119.4 37.2 -79.9 -30.8 9.3 90.4 2.4 17 43 A T S >< S+ 0 0 7 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.2 0.313 89.3 92.0-110.0 10.1 11.1 89.1 -0.7 18 44 A E T 3 + 0 0 110 -4,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.912 62.5 87.7 -63.8 -43.6 9.2 91.2 -3.3 19 45 A D T 3 0 0 52 -4,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.709 360.0 360.0 -24.2 -51.4 11.9 94.0 -3.0 20 46 A E < 0 0 105 -3,-0.6 -2,-0.1 5,-0.2 4,-0.1 0.758 360.0 360.0 -48.8 360.0 13.9 92.2 -5.7 21 ! 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 22 49 A H > 0 0 143 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.3 16.4 98.1 -6.8 23 50 A P G > + 0 0 112 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.170 360.0 103.8 -75.2 19.8 17.2 94.5 -8.0 24 51 A E G 3 S+ 0 0 167 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.465 80.5 47.3 -81.0 -2.6 20.7 95.1 -6.7 25 52 A I G <> S+ 0 0 56 -3,-0.8 4,-2.9 1,-0.1 -1,-0.2 0.057 70.9 123.0-125.8 19.5 19.9 93.0 -3.6 26 53 A G H <> S+ 0 0 18 -3,-0.9 4,-3.4 1,-0.2 5,-0.3 0.939 79.0 45.8 -45.5 -61.3 18.3 90.0 -5.4 27 54 A D H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 113.3 49.9 -51.7 -45.6 20.7 87.5 -3.9 28 55 A A H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 114.0 45.8 -64.4 -37.1 20.3 89.1 -0.5 29 56 A I H X S+ 0 0 10 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.979 111.7 49.7 -68.2 -55.5 16.6 88.9 -0.8 30 57 A A H X S+ 0 0 51 -4,-3.4 4,-1.7 1,-0.2 -2,-0.2 0.868 111.8 51.1 -46.4 -41.8 16.6 85.3 -2.1 31 58 A R H X S+ 0 0 75 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.952 109.1 50.6 -62.1 -48.4 18.8 84.5 0.8 32 59 A L H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.884 104.9 56.7 -53.7 -49.8 16.4 86.2 3.2 33 60 A K H X S+ 0 0 78 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.914 108.3 47.9 -50.9 -48.2 13.5 84.2 1.8 34 61 A E H X S+ 0 0 93 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.852 106.5 55.4 -64.5 -35.7 15.3 80.9 2.6 35 62 A V H X S+ 0 0 0 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.866 110.6 48.1 -68.8 -27.4 16.1 82.0 6.1 36 63 A L H X>S+ 0 0 0 -4,-1.8 4,-2.9 -3,-0.3 5,-0.8 0.923 112.3 46.4 -74.3 -49.3 12.4 82.6 6.6 37 64 A E H X5S+ 0 0 86 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.970 116.5 44.7 -57.1 -52.8 11.2 79.3 5.2 38 65 A Y H <5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.638 127.3 27.1 -67.3 -16.3 13.8 77.3 7.1 39 66 A N H <5S+ 0 0 18 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.654 116.7 49.4-127.2 -23.3 13.3 79.1 10.4 40 67 A A H <5S+ 0 0 0 -4,-2.9 3,-0.5 -5,-0.2 -3,-0.2 0.894 105.6 64.6 -81.9 -39.7 9.8 80.5 10.7 41 68 A I S < + 0 0 16 35,-0.0 4,-2.5 -40,-0.0 5,-0.3 0.619 47.7 148.2 89.1 27.1 2.8 78.3 16.5 46 73 A N H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.902 74.5 45.2 -49.5 -47.5 1.4 78.9 19.9 47 74 A R H > S+ 0 0 18 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.987 114.5 43.3 -65.4 -62.2 2.6 82.5 19.8 48 75 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.840 121.0 44.5 -51.5 -37.3 1.4 83.5 16.3 49 76 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.864 102.5 64.1 -76.7 -39.8 -1.9 81.7 16.9 50 77 A T H X S+ 0 0 7 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.744 104.8 48.9 -58.5 -23.9 -2.4 83.1 20.4 51 78 A V H X S+ 0 0 1 -4,-1.2 4,-2.8 -3,-0.2 -1,-0.2 0.958 110.8 45.2 -82.8 -51.6 -2.6 86.6 18.9 52 79 A V H X S+ 0 0 20 -4,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.832 115.7 48.7 -60.6 -33.7 -5.1 85.9 16.1 53 80 A V H X S+ 0 0 19 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.857 112.2 49.2 -75.8 -31.6 -7.3 83.9 18.5 54 81 A A H < S+ 0 0 2 -4,-0.9 -2,-0.2 -5,-0.3 5,-0.2 0.899 106.4 56.0 -71.7 -40.0 -7.1 86.7 21.0 55 82 A F H >X S+ 0 0 3 -4,-2.8 3,-3.1 1,-0.2 4,-2.1 0.970 105.7 50.0 -53.8 -59.4 -8.0 89.4 18.5 56 83 A R H 3< S+ 0 0 101 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.825 112.6 48.8 -47.1 -38.4 -11.3 87.7 17.5 57 84 A E T 3< S+ 0 0 65 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.340 117.9 39.7 -88.1 6.8 -12.2 87.4 21.1 58 85 A L T <4 S+ 0 0 33 -3,-3.1 2,-0.5 1,-0.2 -2,-0.2 0.485 106.0 68.0-130.0 -11.3 -11.4 91.1 21.9 59 86 A V S < S- 0 0 13 -4,-2.1 -1,-0.2 -5,-0.2 5,-0.1 -0.965 88.6-110.8-116.5 126.2 -12.8 92.8 18.8 60 87 A E >> - 0 0 120 -2,-0.5 3,-3.1 144,-0.1 4,-1.0 -0.146 28.4-114.5 -52.9 141.7 -16.5 92.9 18.1 61 88 A P T 34 S+ 0 0 107 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.799 117.2 57.2 -47.5 -35.7 -17.7 90.8 15.1 62 89 A R T 34 S+ 0 0 103 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.497 110.4 44.7 -78.3 -3.9 -18.7 94.0 13.3 63 90 A K T <4 S+ 0 0 113 -3,-3.1 2,-1.5 1,-0.1 -1,-0.2 0.482 84.7 92.0-114.5 -10.1 -15.1 95.2 13.6 64 91 A Q < + 0 0 54 -4,-1.0 -1,-0.1 -3,-0.4 5,-0.1 -0.180 62.4 162.7 -77.7 44.8 -13.3 92.0 12.6 65 92 A D > - 0 0 83 -2,-1.5 4,-0.9 -3,-0.1 5,-0.1 0.059 53.8 -97.6 -57.9 175.6 -13.3 93.2 9.0 66 93 A A H >> S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 3,-1.0 0.960 122.7 47.2 -62.8 -54.4 -10.9 91.6 6.4 67 94 A D H 3> S+ 0 0 107 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.904 110.6 52.6 -52.3 -48.6 -8.2 94.2 6.6 68 95 A S H 34 S+ 0 0 11 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.705 111.3 50.2 -60.9 -22.8 -8.3 94.1 10.4 69 96 A L H XX S+ 0 0 54 -3,-1.0 4,-2.1 -4,-0.9 3,-0.6 0.936 106.2 51.2 -77.8 -56.2 -7.8 90.4 10.0 70 97 A Q H 3X S+ 0 0 77 -4,-2.8 4,-2.0 1,-0.3 -2,-0.2 0.867 112.6 48.2 -47.7 -42.2 -4.9 90.6 7.7 71 98 A R H 3X S+ 0 0 34 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.3 0.801 106.3 62.5 -68.9 -29.2 -3.3 92.9 10.2 72 99 A A H <> S+ 0 0 4 -3,-0.6 4,-0.6 -4,-0.4 -2,-0.2 0.971 112.4 29.6 -62.5 -57.0 -4.3 90.3 12.8 73 100 A W H X S+ 0 0 48 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.833 111.7 65.9 -81.6 -24.5 -2.2 87.4 11.6 74 101 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.945 106.7 43.7 -52.3 -48.1 0.5 89.7 10.1 75 102 A V H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -1,-0.3 0.740 109.2 61.8 -63.8 -22.4 1.2 90.6 13.7 76 103 A G H X S+ 0 0 0 -4,-0.6 4,-0.8 1,-0.2 -2,-0.2 0.947 105.0 43.5 -67.0 -52.2 0.9 86.9 14.3 77 104 A W H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.735 104.1 65.5 -65.4 -30.4 3.8 86.1 12.1 78 105 A C H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.3 5,-0.2 0.960 102.0 48.7 -58.6 -47.0 5.8 89.0 13.6 79 106 A V H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.829 110.2 54.4 -59.4 -29.7 5.8 87.1 16.9 80 107 A E H X S+ 0 0 2 -4,-0.8 4,-3.5 2,-0.2 3,-0.3 0.976 108.9 45.1 -65.5 -55.0 6.9 84.1 14.8 81 108 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.3 -2,-0.2 0.870 108.2 57.6 -58.0 -39.5 9.9 85.9 13.4 82 109 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.3 0.917 112.8 41.8 -56.8 -39.4 10.7 87.3 16.9 83 110 A Q H X S+ 0 0 16 -4,-1.5 4,-2.7 -3,-0.3 -2,-0.3 0.945 111.3 54.1 -69.6 -48.6 10.9 83.6 17.8 84 111 A A H X S+ 0 0 1 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.869 112.6 46.8 -51.4 -37.7 12.7 82.6 14.6 85 112 A F H X S+ 0 0 17 -4,-3.1 4,-1.6 -5,-0.2 5,-0.3 0.977 112.0 46.0 -71.1 -54.9 15.2 85.3 15.5 86 113 A F H X S+ 0 0 25 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.825 116.0 49.8 -55.5 -35.2 15.7 84.4 19.2 87 114 A L H X S+ 0 0 18 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.974 104.9 51.7 -69.0 -63.2 16.0 80.7 18.2 88 115 A V H X S+ 0 0 3 -4,-1.9 4,-1.0 1,-0.3 18,-0.2 0.831 120.0 38.5 -45.2 -40.6 18.6 80.9 15.4 89 116 A A H X S+ 0 0 22 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.3 0.815 111.7 58.8 -82.1 -32.0 20.8 82.8 17.7 90 117 A D H X S+ 0 0 60 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.873 103.6 52.8 -63.9 -37.8 19.9 80.7 20.8 91 118 A D H X>S+ 0 0 7 -4,-2.9 5,-2.1 2,-0.2 4,-1.4 0.941 106.4 50.2 -65.8 -50.5 21.1 77.6 19.0 92 119 A I H <5S+ 0 0 31 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.899 114.6 46.8 -52.8 -43.4 24.6 78.9 18.2 93 120 A M H <5S+ 0 0 106 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.933 119.4 35.6 -69.2 -50.1 25.0 80.0 21.8 94 121 A D H <5S- 0 0 17 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.546 113.9-123.7 -80.4 -5.3 23.8 76.9 23.6 95 122 A S T <5 - 0 0 75 -4,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.957 43.0-175.9 63.3 64.0 25.5 75.0 20.7 96 123 A S < - 0 0 10 -5,-2.1 -1,-0.1 1,-0.1 3,-0.1 -0.310 30.4-168.6 -88.6 168.7 22.5 73.0 19.4 97 124 A L S S+ 0 0 103 1,-0.3 7,-1.7 148,-0.1 2,-0.4 0.579 72.0 40.6-123.5 -34.0 22.2 70.4 16.7 98 125 A T B +A 103 0A 38 5,-0.3 147,-0.3 147,-0.1 2,-0.3 -0.961 50.3 165.5-129.4 142.8 18.4 70.0 16.3 99 126 A R S S- 0 0 49 3,-2.7 145,-0.2 -2,-0.4 144,-0.1 -0.963 77.7 -3.5-148.6 130.2 15.5 72.3 16.3 100 127 A R S S- 0 0 50 142,-0.4 143,-0.2 -2,-0.3 144,-0.2 0.884 130.6 -57.3 52.8 41.3 11.9 71.5 15.1 101 128 A G S S+ 0 0 61 142,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.947 122.1 80.9 53.0 59.9 13.2 68.0 14.0 102 129 A Q S S- 0 0 71 141,-0.4 -3,-2.7 -5,-0.0 2,-0.2 -0.910 90.3 -73.0-174.7 165.0 15.9 69.1 11.7 103 130 A I B -A 98 0A 78 -2,-0.3 -5,-0.3 -5,-0.2 5,-0.1 -0.509 58.2 -96.1 -77.2 140.1 19.5 70.4 12.0 104 131 A C >> - 0 0 2 -7,-1.7 4,-1.0 -2,-0.2 3,-0.8 -0.103 30.3-119.8 -46.8 142.1 20.1 73.9 13.4 105 132 A W G >4 S+ 0 0 5 1,-0.3 3,-0.6 2,-0.2 7,-0.4 0.865 114.4 55.2 -55.8 -41.3 20.5 76.5 10.7 106 133 A Y G 34 S+ 0 0 25 1,-0.2 6,-1.4 -18,-0.2 5,-0.3 0.829 106.7 53.0 -65.1 -27.7 24.0 77.4 12.0 107 134 A Q G <4 S+ 0 0 77 -3,-0.8 -1,-0.2 4,-0.1 -2,-0.2 0.659 83.0 108.4 -78.4 -23.1 24.9 73.7 11.6 108 135 A K S XX S- 0 0 64 -4,-1.0 3,-1.4 -3,-0.6 4,-0.8 -0.369 87.7-100.9 -61.0 133.3 23.8 73.6 8.0 109 136 A P T 34 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.407 111.3 30.0 -57.3 111.3 26.8 73.4 5.6 110 137 A G T 34 S+ 0 0 74 -2,-0.4 -2,-0.1 -4,-0.2 -3,-0.1 0.524 112.6 64.2 111.8 17.2 27.3 76.9 4.3 111 138 A V T X4 + 0 0 15 -3,-1.4 3,-1.9 -5,-0.3 4,-0.2 0.570 51.3 134.4-128.6 -69.5 26.0 78.9 7.3 112 139 A G G >< S- 0 0 27 -6,-1.4 3,-1.2 -4,-0.8 4,-0.1 -0.210 88.3 -2.8 50.6-125.0 27.9 78.6 10.5 113 140 A L G > S+ 0 0 112 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.697 118.2 78.5 -78.1 -15.2 28.5 81.9 12.2 114 141 A D G X> S+ 0 0 108 -3,-1.9 4,-1.6 1,-0.3 3,-1.2 0.809 73.7 84.1 -60.8 -20.2 26.9 83.9 9.4 115 142 A A H <> S+ 0 0 0 -3,-1.2 4,-3.5 1,-0.3 5,-0.3 0.828 76.6 69.9 -46.7 -35.7 23.6 82.8 11.0 116 143 A I H <> S+ 0 0 85 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.934 100.3 43.0 -50.3 -51.3 24.2 85.7 13.3 117 144 A N H <> S+ 0 0 97 -3,-1.2 4,-2.7 -4,-0.4 -1,-0.2 0.900 112.5 57.6 -63.3 -34.4 23.4 88.1 10.5 118 145 A D H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.959 104.3 48.1 -56.7 -56.4 20.6 85.7 9.7 119 146 A A H X S+ 0 0 1 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.876 110.9 54.4 -54.0 -36.5 19.0 86.1 13.1 120 147 A N H >X S+ 0 0 76 -4,-1.9 4,-2.0 -5,-0.3 3,-0.7 0.960 103.5 53.1 -62.5 -50.4 19.3 89.8 12.6 121 148 A L H 3X S+ 0 0 58 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.820 103.2 59.3 -56.0 -29.7 17.5 89.8 9.3 122 149 A L H 3X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 3,-0.3 0.924 105.7 48.4 -66.7 -39.4 14.6 88.0 11.1 123 150 A E H XX S+ 0 0 44 -4,-1.4 4,-1.1 -3,-0.7 3,-1.0 0.940 107.4 53.8 -60.5 -52.1 14.3 90.9 13.5 124 151 A A H 3X S+ 0 0 49 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.727 102.1 61.3 -57.5 -23.4 14.3 93.6 10.8 125 152 A C H 3X S+ 0 0 2 -4,-1.1 4,-1.7 -3,-0.3 -1,-0.3 0.847 97.8 58.0 -76.1 -33.5 11.4 91.7 9.1 126 153 A I H XX S+ 0 0 0 -3,-1.0 4,-2.4 -4,-1.0 3,-1.2 0.993 111.3 38.1 -51.1 -70.8 9.2 92.2 12.1 127 154 A Y H 3X S+ 0 0 46 -4,-1.1 4,-1.7 1,-0.3 -1,-0.2 0.648 112.1 61.3 -59.8 -18.0 9.3 95.9 12.1 128 155 A R H 3< S+ 0 0 74 -4,-0.7 4,-0.4 -5,-0.3 -1,-0.3 0.838 108.2 42.2 -77.5 -34.7 9.2 95.9 8.3 129 156 A L H XX S+ 0 0 0 -4,-1.7 4,-0.8 -3,-1.2 3,-0.8 0.917 110.8 57.0 -72.4 -48.5 5.8 94.1 8.4 130 157 A L H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 3,-1.3 0.923 109.1 44.7 -45.8 -56.0 4.6 96.4 11.1 131 158 A K H 3< S+ 0 0 45 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.721 112.0 57.0 -62.4 -21.9 5.3 99.5 9.0 132 159 A L H <4 S+ 0 0 76 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.541 126.3 8.5 -91.5 -10.4 3.7 97.8 6.1 133 160 A Y H << S+ 0 0 52 -3,-1.3 3,-0.2 -4,-0.8 -3,-0.2 0.574 130.7 41.9-136.8 -46.1 0.3 97.0 7.6 134 161 A C S >< S+ 0 0 0 -4,-1.8 3,-0.9 -5,-0.4 6,-0.4 0.236 83.9 104.8 -95.3 13.4 -0.2 98.7 11.0 135 162 A R T 3 S+ 0 0 122 -5,-0.3 -1,-0.2 1,-0.2 5,-0.2 0.966 80.9 42.0 -61.1 -57.5 1.4 102.0 9.9 136 163 A E T 3 S+ 0 0 159 -3,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.448 99.3 102.1 -72.3 3.6 -1.7 104.1 9.5 137 164 A Q S X S- 0 0 46 -3,-0.9 3,-1.3 1,-0.1 4,-0.3 -0.630 78.2-127.0 -95.1 149.9 -3.2 102.7 12.7 138 165 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.268 108.5 53.4 -75.6 11.9 -3.2 104.4 16.1 139 166 A Y T >> S+ 0 0 16 -5,-0.3 4,-2.4 2,-0.1 3,-1.3 0.455 76.4 101.1-119.5 -6.9 -1.6 101.4 17.8 140 167 A Y H <> S+ 0 0 53 -3,-1.3 4,-2.0 -6,-0.4 5,-0.2 0.871 83.9 46.7 -45.1 -50.9 1.4 101.2 15.5 141 168 A L H 3> S+ 0 0 113 -4,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.770 111.6 53.1 -69.3 -21.0 3.8 102.9 17.9 142 169 A N H <> S+ 0 0 54 -3,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.891 107.7 50.1 -79.0 -38.9 2.5 100.6 20.7 143 170 A L H >X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 3,-1.1 0.991 114.0 44.8 -55.3 -64.4 3.2 97.5 18.7 144 171 A I H 3X S+ 0 0 30 -4,-2.0 4,-2.7 1,-0.3 5,-0.3 0.928 115.0 47.2 -45.3 -55.9 6.8 98.6 17.9 145 172 A E H 3X S+ 0 0 105 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.3 0.753 111.1 54.1 -66.8 -15.3 7.4 99.7 21.5 146 173 A L H X S+ 0 0 2 -4,-0.8 4,-2.6 -3,-0.3 3,-0.5 0.964 109.1 45.4 -74.6 -50.2 9.9 92.5 24.7 151 178 A S H 3X S+ 0 0 3 -4,-3.1 4,-3.8 1,-0.3 5,-0.3 0.960 110.4 53.7 -50.5 -58.4 13.2 91.7 23.0 152 179 A Y H 3X S+ 0 0 135 -4,-2.3 4,-1.4 1,-0.2 -1,-0.3 0.785 109.4 50.0 -51.0 -30.7 15.2 93.7 25.5 153 180 A Q H X S+ 0 0 17 -4,-2.6 3,-2.4 1,-0.2 4,-0.9 0.967 114.9 40.1 -46.2 -77.3 21.1 82.5 31.8 162 189 A L H 3< S+ 0 0 73 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.768 114.6 56.3 -45.9 -34.9 24.5 82.5 30.2 163 190 A L H 3< S+ 0 0 113 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.796 108.6 46.6 -68.2 -30.3 25.8 84.4 33.2 164 191 A T H << S+ 0 0 0 -3,-2.4 -2,-0.2 -4,-1.6 -1,-0.2 0.515 115.3 47.0 -93.7 -6.3 24.5 81.7 35.5 165 192 A A S < S+ 0 0 13 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.2 -0.535 72.3 178.8-136.1 69.1 26.0 78.9 33.5 166 193 A P > - 0 0 51 0, 0.0 3,-0.7 0, 0.0 -3,-0.1 -0.598 42.1 -96.3 -73.4 127.5 29.6 79.7 32.6 167 194 A Q T 3 S+ 0 0 189 -2,-0.4 84,-0.1 1,-0.2 112,-0.1 -0.024 102.5 2.7 -40.8 134.6 31.3 77.0 30.5 168 195 A G T 3 S+ 0 0 70 110,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.900 98.7 124.4 49.4 51.1 33.4 74.7 32.6 169 196 A N < - 0 0 95 -3,-0.7 2,-0.4 109,-0.1 -1,-0.1 -0.839 65.4-126.2-144.7 108.1 32.6 76.2 36.0 170 197 A V + 0 0 85 -2,-0.3 3,-0.2 1,-0.1 2,-0.2 -0.248 42.0 167.9 -48.7 101.7 31.1 74.2 38.9 171 198 A D + 0 0 7 -2,-0.4 -1,-0.1 1,-0.1 107,-0.0 -0.444 28.9 120.5-126.0 63.1 28.1 76.5 39.5 172 199 A L > + 0 0 4 -2,-0.2 3,-1.7 1,-0.1 -1,-0.1 0.763 68.9 71.2 -91.4 -27.1 25.7 74.8 41.9 173 200 A V T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.858 100.0 45.9 -49.1 -45.0 25.9 77.6 44.4 174 201 A R T 3 S+ 0 0 47 1,-0.2 2,-1.2 -10,-0.1 -1,-0.3 0.317 80.9 100.5 -89.5 5.1 24.0 79.9 42.0 175 202 A F < + 0 0 6 -3,-1.7 -1,-0.2 4,-0.1 87,-0.1 -0.265 52.5 142.9 -90.6 54.2 21.2 77.5 41.1 176 203 A T > - 0 0 71 -2,-1.2 4,-1.3 1,-0.1 83,-0.1 -0.259 60.2-118.4 -82.5 174.1 18.7 79.1 43.5 177 204 A E H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.1 5,-0.2 0.865 109.1 62.2 -85.2 -36.4 15.0 79.5 42.9 178 205 A K H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.914 110.1 43.7 -48.9 -47.4 14.9 83.3 43.1 179 206 A R H > S+ 0 0 76 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.926 110.4 52.7 -64.4 -51.6 17.3 83.4 40.1 180 207 A Y H X S+ 0 0 2 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.878 109.9 50.2 -55.9 -42.4 15.5 80.7 38.1 181 208 A K H X S+ 0 0 84 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.973 114.2 42.0 -62.0 -56.8 12.2 82.7 38.4 182 209 A S H X S+ 0 0 40 -4,-2.0 4,-1.7 1,-0.2 5,-0.3 0.896 113.3 55.4 -58.3 -40.4 13.7 86.0 37.3 183 210 A I H X S+ 0 0 1 -4,-3.3 4,-2.2 1,-0.2 3,-0.3 0.947 113.7 38.8 -57.9 -47.3 15.7 84.3 34.6 184 211 A V H X>S+ 0 0 1 -4,-2.3 5,-2.3 1,-0.2 4,-2.1 0.858 108.9 62.7 -73.2 -35.2 12.6 82.7 33.1 185 212 A K H <>S+ 0 0 73 -4,-2.9 5,-1.1 -5,-0.2 -1,-0.2 0.836 114.4 34.1 -55.3 -35.6 10.5 85.8 33.7 186 213 A Y H <5S+ 0 0 76 -4,-1.7 -29,-0.3 -3,-0.3 5,-0.2 0.794 123.5 39.1 -94.0 -35.1 12.8 87.7 31.3 187 214 A K H <5S+ 0 0 41 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.658 134.7 5.0 -95.6 -8.4 13.8 85.2 28.7 188 215 A T T X5S+ 0 0 10 -4,-2.1 4,-2.0 -5,-0.2 5,-0.3 0.623 118.9 54.8-136.3 -53.5 10.5 83.3 28.3 189 216 A A H >XS+ 0 0 1 -5,-2.3 5,-1.6 1,-0.2 4,-1.3 0.906 106.5 52.9 -58.7 -44.6 7.4 84.6 30.1 190 217 A F H 4XS+ 0 0 15 -5,-1.1 5,-2.0 -6,-0.4 -1,-0.2 0.958 119.1 28.5 -61.8 -51.9 7.5 88.1 28.8 191 218 A Y H 45S+ 0 0 16 -5,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.727 121.2 49.6 -89.9 -15.8 7.7 87.5 25.1 192 219 A S H <5S+ 0 0 7 -4,-2.0 -1,-0.2 3,-0.1 -3,-0.2 0.652 129.7 11.2 -97.2 -13.4 5.9 84.2 24.8 193 220 A F T X5S+ 0 0 6 -4,-1.3 4,-1.4 -5,-0.3 5,-0.3 0.641 129.9 42.4-126.6 -51.9 2.8 85.1 26.8 194 221 A Y H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.957 118.4 42.1 -57.6 -53.2 1.0 87.9 22.1 197 224 A I H >X S+ 0 0 3 -4,-1.4 4,-2.1 1,-0.2 3,-1.0 0.974 114.0 51.9 -56.1 -58.0 -1.9 88.9 24.3 198 225 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 5,-0.3 0.870 105.7 54.3 -44.0 -52.0 -0.8 92.5 24.6 199 226 A A H 3X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.3 0.872 109.6 51.0 -53.5 -36.6 -0.5 92.9 20.8 200 227 A A H X>S+ 0 0 1 -4,-2.1 5,-2.4 2,-0.2 3,-1.1 0.950 113.0 49.2 -51.3 -59.3 -5.3 94.2 23.2 202 229 A Y H ><5S+ 0 0 36 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.879 111.9 49.8 -47.6 -45.8 -3.5 97.1 21.6 203 230 A M H 3<5S+ 0 0 16 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.754 112.5 48.4 -67.0 -24.9 -4.9 96.1 18.3 204 231 A A H <<5S- 0 0 30 -4,-1.5 -1,-0.2 -3,-1.1 -2,-0.2 0.516 124.1-100.7 -94.7 -5.5 -8.4 95.9 19.9 205 232 A G T <<5S+ 0 0 51 -4,-1.1 2,-1.8 -3,-0.7 -3,-0.2 0.433 82.2 129.2 103.8 -1.0 -8.1 99.3 21.5 206 233 A I < + 0 0 35 -5,-2.4 -4,-0.2 1,-0.2 6,-0.1 -0.426 15.3 149.1 -88.4 68.8 -7.3 98.2 25.1 207 234 A D + 0 0 80 -2,-1.8 -1,-0.2 -6,-0.2 -5,-0.1 0.273 29.8 139.3 -83.2 17.4 -4.3 100.5 25.5 208 235 A G > - 0 0 17 1,-0.1 4,-0.8 -3,-0.1 -6,-0.0 -0.068 51.4-147.7 -60.8 159.3 -5.1 100.6 29.2 209 236 A E H > S+ 0 0 156 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.890 99.4 43.8 -91.5 -47.1 -2.4 100.5 31.9 210 237 A K H > S+ 0 0 138 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.896 115.9 49.7 -62.7 -43.1 -4.5 98.7 34.6 211 238 A E H >> S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 3,-1.2 0.988 111.5 47.9 -55.9 -60.5 -5.8 96.3 32.0 212 239 A H H 3X S+ 0 0 8 -4,-0.8 4,-1.8 1,-0.3 -2,-0.2 0.790 109.9 51.8 -53.8 -37.3 -2.3 95.5 30.7 213 240 A A H 3X S+ 0 0 32 -4,-2.4 4,-2.0 2,-0.2 -1,-0.3 0.827 108.3 55.4 -68.7 -28.8 -1.0 95.0 34.2 214 241 A N H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 3,-0.6 0.997 118.2 50.8 -69.2 -70.8 -1.7 86.1 34.7 219 246 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -3,-0.2 0.741 108.8 54.5 -43.0 -37.9 0.3 85.6 31.5 220 247 A L H 3X S+ 0 0 27 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.3 0.979 108.9 45.6 -65.8 -52.8 3.6 86.0 33.3 221 248 A E H X S+ 0 0 51 -4,-1.8 4,-2.2 2,-0.2 3,-0.9 0.964 114.8 49.5 -59.6 -57.8 11.5 68.9 31.9 233 260 A L H 3X S+ 0 0 20 -4,-3.0 4,-0.6 1,-0.3 -1,-0.2 0.855 103.3 64.1 -52.0 -37.9 10.9 68.2 28.2 234 261 A D H 3< S+ 0 0 13 -4,-2.6 12,-0.5 -5,-0.2 -1,-0.3 0.922 121.9 17.7 -53.7 -46.7 14.5 69.0 27.6 235 262 A L H << S+ 0 0 28 -4,-1.3 2,-1.0 -3,-0.9 -2,-0.2 0.936 135.8 33.4 -88.2 -65.7 15.6 66.0 29.7 236 263 A F H < S+ 0 0 46 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 -0.277 95.9 104.1 -90.7 50.7 12.6 63.7 30.0 237 264 A G S < S- 0 0 25 -2,-1.0 5,-0.1 -4,-0.6 9,-0.1 -0.982 77.2-102.1-140.4 140.5 10.9 64.2 26.6 238 265 A D >> - 0 0 90 -2,-0.4 3,-3.2 1,-0.2 4,-2.2 -0.355 25.8-152.0 -58.2 108.6 10.6 62.3 23.4 239 266 A P H 3> S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 5,-0.4 0.836 97.5 61.9 -48.0 -37.1 13.0 64.0 21.0 240 267 A S H 34 S+ 0 0 102 1,-0.2 -2,-0.1 2,-0.2 0, 0.0 0.687 114.3 34.4 -68.6 -13.9 10.7 62.9 18.2 241 268 A V H <4 S+ 0 0 115 -3,-3.2 -1,-0.2 3,-0.1 -3,-0.1 0.621 121.7 45.7-108.7 -19.2 8.1 65.0 19.8 242 269 A T H < S- 0 0 45 -4,-2.2 -142,-0.4 2,-0.2 -2,-0.2 0.466 92.0-146.0 -99.4 -2.7 10.3 67.8 21.1 243 270 A G S < S+ 0 0 13 -4,-1.9 -142,-2.2 -5,-0.3 -141,-0.4 0.741 70.9 62.8 44.5 33.0 12.2 68.0 17.8 244 271 A K S S- 0 0 34 -5,-0.4 2,-0.3 -145,-0.2 -2,-0.2 -0.950 80.1-109.2-175.1 157.0 15.4 68.8 19.6 245 272 A I - 0 0 87 -147,-0.3 2,-0.5 -2,-0.3 -147,-0.1 -0.712 31.3-113.8-101.8 149.8 17.9 67.4 22.2 246 273 A G + 0 0 14 -12,-0.5 4,-0.2 -2,-0.3 3,-0.1 -0.692 35.2 165.8 -85.9 123.0 18.4 68.6 25.8 247 274 A T > + 0 0 21 -2,-0.5 4,-2.2 2,-0.1 6,-0.2 0.226 44.0 110.7-116.7 9.6 21.8 70.2 26.5 248 275 A D T 4>S+ 0 0 24 2,-0.2 5,-2.6 1,-0.2 -1,-0.1 0.891 80.6 42.7 -55.7 -46.9 20.8 71.7 29.8 249 276 A I T >45S+ 0 0 4 1,-0.2 3,-2.8 2,-0.2 29,-1.1 0.995 118.8 41.9 -64.1 -61.3 23.1 69.4 31.9 250 277 A Q T 345S+ 0 0 57 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.731 114.3 54.7 -58.7 -22.3 26.1 69.6 29.6 251 278 A D T 3<5S- 0 0 41 -4,-2.2 -1,-0.3 -84,-0.1 -2,-0.2 0.382 107.3-129.9 -92.8 5.2 25.4 73.3 29.3 252 279 A N T < 5 + 0 0 5 -3,-2.8 -3,-0.2 27,-0.2 -2,-0.1 0.819 47.2 172.1 53.6 32.3 25.5 73.7 33.1 253 280 A K < - 0 0 12 -5,-2.6 2,-0.9 -6,-0.2 -1,-0.1 -0.156 42.8-111.4 -66.3 165.8 22.2 75.5 32.8 254 281 A C + 0 0 6 4,-0.1 2,-0.1 -75,-0.0 -1,-0.1 -0.861 50.8 176.9-100.6 92.7 20.1 76.5 35.8 255 282 A S > - 0 0 1 -2,-0.9 4,-2.1 1,-0.1 5,-0.1 -0.442 47.5-117.2 -93.1 163.6 17.1 74.3 35.3 256 283 A W H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.924 119.8 56.3 -60.6 -40.7 14.0 73.7 37.4 257 284 A L H > S+ 0 0 2 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.943 107.0 42.8 -52.3 -64.1 15.4 70.2 37.7 258 285 A V H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 116.8 49.8 -56.0 -39.4 18.8 71.2 39.1 259 286 A V H X S+ 0 0 4 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.925 115.2 45.3 -63.3 -40.2 17.0 73.6 41.4 260 287 A Q H X S+ 0 0 13 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.895 116.6 42.5 -65.2 -49.9 14.7 70.8 42.3 261 288 A C H < S+ 0 0 0 -4,-3.9 -2,-0.2 1,-0.2 -3,-0.2 0.900 111.0 54.9 -69.6 -42.3 17.4 68.1 42.8 262 289 A L H < S+ 0 0 40 -4,-2.8 3,-0.3 -5,-0.3 -1,-0.2 0.744 106.3 56.7 -59.5 -24.4 19.7 70.5 44.7 263 290 A Q H < S+ 0 0 120 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.2 0.940 120.0 24.1 -74.0 -50.4 16.8 71.1 47.0 264 291 A R S < S+ 0 0 104 -4,-1.5 2,-0.5 2,-0.0 -1,-0.2 -0.108 94.1 122.4-108.8 31.0 16.2 67.5 48.0 265 292 A A - 0 0 21 -3,-0.3 5,-0.1 -4,-0.1 30,-0.0 -0.841 57.7-130.4 -98.2 131.2 19.7 66.2 47.4 266 293 A T > - 0 0 70 -2,-0.5 4,-1.7 1,-0.1 5,-0.2 -0.160 29.1-101.7 -66.5 166.3 21.6 64.6 50.3 267 294 A P H >> S+ 0 0 113 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.977 127.8 43.4 -50.5 -60.5 25.2 65.6 51.2 268 295 A E H 3> S+ 0 0 80 1,-0.3 4,-1.3 2,-0.2 3,-0.3 0.810 116.8 48.6 -52.5 -37.4 26.5 62.5 49.5 269 296 A Q H 3> S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.635 95.3 73.2 -81.4 -17.4 24.1 63.1 46.6 270 297 A Y H X S+ 0 0 0 -4,-1.0 4,-3.0 1,-0.2 3,-0.7 0.970 107.8 48.6 -67.6 -63.7 26.0 66.1 41.3 274 301 A K H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 116.4 48.0 -45.9 -37.2 28.9 68.6 41.7 275 302 A E H 3< S+ 0 0 45 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.814 119.8 32.0 -77.1 -36.7 31.1 66.2 39.8 276 303 A N H X< S+ 0 0 9 -4,-1.9 3,-1.2 -3,-0.7 -2,-0.2 0.781 91.8 96.6-101.6 -27.5 28.8 65.3 36.9 277 304 A Y T 3< S+ 0 0 7 -4,-3.0 -27,-0.1 -5,-0.2 3,-0.1 -0.319 89.0 17.7 -64.2 146.6 26.8 68.5 36.1 278 305 A G T 3 S+ 0 0 18 -29,-1.1 -110,-0.4 1,-0.3 -1,-0.2 0.245 93.4 119.4 83.4 -12.4 28.1 70.8 33.4 279 306 A Q < - 0 0 60 -3,-1.2 -1,-0.3 2,-0.1 -27,-0.2 -0.498 64.4-136.1 -84.7 158.5 30.4 68.3 31.7 280 307 A K + 0 0 131 -2,-0.1 2,-0.7 -3,-0.1 -1,-0.1 0.356 67.1 122.0 -90.2 2.7 30.1 67.3 28.1 281 308 A E > - 0 0 103 1,-0.2 4,-3.1 -5,-0.1 5,-0.3 -0.591 58.7-147.8 -77.3 114.6 30.7 63.7 29.1 282 309 A A H > S+ 0 0 78 -2,-0.7 4,-3.1 1,-0.3 -1,-0.2 0.838 101.2 41.8 -45.5 -44.9 27.8 61.5 28.1 283 310 A E H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.819 112.1 54.0 -78.8 -29.4 28.3 59.2 31.0 284 311 A K H > S+ 0 0 50 2,-0.2 4,-1.0 -3,-0.2 -2,-0.2 0.905 116.8 40.1 -64.0 -37.9 29.0 62.1 33.4 285 312 A V H X S+ 0 0 19 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.865 110.5 55.5 -76.2 -43.9 25.6 63.4 32.1 286 313 A A H X S+ 0 0 55 -4,-3.1 4,-1.3 -5,-0.3 -2,-0.2 0.854 105.4 56.8 -58.3 -30.8 23.9 60.0 32.1 287 314 A R H X S+ 0 0 94 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.916 105.1 50.4 -64.9 -42.9 25.0 60.0 35.8 288 315 A V H X S+ 0 0 0 -4,-1.0 4,-2.0 1,-0.2 3,-0.5 0.983 105.8 53.2 -58.1 -60.4 23.1 63.2 36.4 289 316 A K H X S+ 0 0 81 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.789 107.3 55.8 -45.4 -36.2 19.9 62.1 34.8 290 317 A A H X S+ 0 0 27 -4,-1.3 4,-3.0 -5,-0.2 5,-0.3 0.960 102.5 52.5 -61.6 -54.1 20.1 59.1 37.1 291 318 A L H X S+ 0 0 6 -4,-1.9 4,-0.6 -3,-0.5 -2,-0.2 0.863 109.0 52.7 -55.0 -35.4 20.3 61.2 40.3 292 319 A Y H >X>S+ 0 0 0 -4,-2.0 3,-3.5 2,-0.2 5,-1.1 1.000 111.1 43.9 -58.7 -64.6 17.2 62.9 39.1 293 320 A E H ><5S+ 0 0 103 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.786 111.4 56.1 -48.8 -31.7 15.3 59.6 38.7 294 321 A E H 3<5S+ 0 0 134 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.621 104.8 53.9 -77.3 -11.0 16.8 58.6 42.0 295 322 A L H <<5S- 0 0 25 -3,-3.5 -1,-0.2 -4,-0.6 -2,-0.2 0.413 108.5-122.5-101.9 -1.5 15.2 61.7 43.5 296 323 A D T XX5 + 0 0 115 -3,-0.8 3,-2.0 -4,-0.5 4,-1.3 0.584 61.4 148.8 73.2 9.4 11.7 61.0 42.3 297 324 A L H >>< + 0 0 1 -5,-1.1 4,-2.4 1,-0.3 3,-0.6 0.839 58.1 63.2 -45.2 -51.0 11.8 64.4 40.5 298 325 A P H 3> S+ 0 0 35 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.785 108.6 44.9 -53.0 -25.8 9.6 63.5 37.5 299 326 A A H <> S+ 0 0 63 -3,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.796 108.1 56.2 -81.4 -33.3 6.8 63.0 40.1 300 327 A V H X S+ 0 0 113 -4,-2.0 4,-2.7 1,-0.2 3,-1.5 0.973 110.6 42.3 -51.6 -66.0 2.8 67.8 41.4 304 331 A Y H 3X S+ 0 0 50 -4,-1.5 4,-3.9 1,-0.3 5,-0.3 0.876 106.8 62.6 -48.3 -46.6 3.8 71.4 40.4 305 332 A E H 3X S+ 0 0 40 -4,-2.9 4,-1.4 1,-0.2 -1,-0.3 0.817 113.7 36.7 -50.9 -34.4 2.2 71.0 37.0 306 333 A E H X S+ 0 0 10 -4,-3.7 2,-2.0 1,-0.3 4,-1.6 0.911 105.4 63.2 -56.1 -40.3 -7.4 84.0 35.7 317 344 A E H 3< S+ 0 0 102 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.337 113.6 30.8 -78.9 54.4 -10.4 83.9 38.0 318 345 A Q H 34 S+ 0 0 125 -2,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.346 125.0 33.2-179.7 -17.5 -9.5 87.3 39.5 319 346 A Y H << S+ 0 0 63 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.445 90.3 83.8-132.9 -14.6 -7.7 89.4 36.9 320 347 A A >< + 0 0 4 -4,-1.6 3,-4.1 -5,-0.3 -3,-0.1 0.879 69.1 141.3 -65.9 -33.4 -9.2 88.5 33.5 321 348 A A T 3 + 0 0 73 1,-0.4 -107,-0.0 -5,-0.3 -4,-0.0 -0.301 66.7 16.5 -55.5 130.7 -12.0 91.0 34.1 322 349 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.728 113.4 83.8-105.1 46.8 -13.1 92.6 32.0 323 350 A L S < S- 0 0 12 -3,-4.1 4,-0.1 -4,-0.1 -265,-0.1 -0.793 95.5 -87.2 -98.2 144.8 -11.5 90.5 29.3 324 351 A P > - 0 0 50 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.314 36.7-141.1 -47.9 110.8 -13.1 87.3 27.9 325 352 A P G >> S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 3,-1.5 0.759 98.0 71.7 -51.6 -28.0 -11.7 84.7 30.4 326 353 A A G 34 S+ 0 0 48 1,-0.3 -269,-0.1 2,-0.2 4,-0.0 0.091 80.8 74.5 -78.4 21.5 -11.4 82.3 27.5 327 354 A V G <4 S+ 0 0 10 -3,-1.5 4,-0.3 -4,-0.1 -1,-0.3 0.631 112.1 24.6 -97.3 -29.7 -8.4 84.5 26.3 328 355 A F T <> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.3 -2,-0.2 0.711 118.7 61.3 -99.3 -36.0 -6.3 83.0 29.1 329 356 A L T < S+ 0 0 75 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.822 102.8 53.3 -59.7 -35.9 -8.3 79.8 29.4 330 357 A G T >> S+ 0 0 23 1,-0.2 3,-1.0 -5,-0.2 4,-0.7 0.853 106.5 51.0 -69.4 -39.5 -7.4 79.1 25.7 331 358 A L H >> S+ 0 0 5 -4,-0.3 3,-1.3 1,-0.3 4,-1.1 0.933 104.5 58.0 -61.7 -47.5 -3.7 79.5 26.4 332 359 A A H 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 -0.026 106.7 48.8 -78.4 32.3 -3.9 77.1 29.4 333 360 A R H <4 S+ 0 0 150 -3,-1.0 -1,-0.3 -2,-0.5 -2,-0.2 0.327 107.1 55.9-133.4 -20.4 -5.2 74.4 27.1 334 361 A K H << S+ 0 0 35 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.616 128.4 12.0 -85.0 -22.0 -2.5 75.0 24.5 335 362 A I S < S+ 0 0 6 -4,-1.1 2,-2.0 1,-0.1 -3,-0.2 0.671 108.2 75.8-129.3 -36.3 0.3 74.4 27.0 336 363 A Y 0 0 25 -5,-0.4 -4,-0.1 -27,-0.0 -1,-0.1 -0.163 360.0 360.0 -79.7 48.1 -0.9 72.9 30.3 337 364 A K 0 0 121 -2,-2.0 -4,-0.1 -3,-0.1 -3,-0.0 -0.950 360.0 360.0-119.4 360.0 -1.3 69.5 28.7